Browse entries in the PDBbind-CN Database
HEADER 5MG2_COMPLEX COMPND 5MG2_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 137 SER MET ASP ASP ASP GLN VAL ALA PHE SER PHE ILE LEU SEQRES 2 A 137 ASP ASN ILE VAL THR GLN LYS MET MET ALA VAL PRO ASP SEQRES 3 A 137 SER TRP PRO PHE HIS HIS PRO VAL ASN LYS LYS PHE VAL SEQRES 4 A 137 PRO ASP TYR TYR LYS VAL ILE VAL ASN PRO MET ASP LEU SEQRES 5 A 137 GLU THR ILE ARG LYS ASN ILE SER LYS HIS LYS TYR GLN SEQRES 6 A 137 SER ARG GLU SER PHE LEU ASP ASP VAL ASN LEU ILE LEU SEQRES 7 A 137 ALA ASN SER VAL LYS TYR ASN GLY PRO GLU SER GLN TYR SEQRES 8 A 137 THR LYS THR ALA GLN GLU ILE VAL ASN VAL CYS TYR GLN SEQRES 9 A 137 THR LEU THR GLU TYR ASP GLU HIS LEU THR GLN LEU GLU SEQRES 10 A 137 LYS ASP ILE CYS THR ALA LYS GLU ALA ALA LEU GLU GLU SEQRES 11 A 137 ALA GLU LEU GLU SER LEU ASP HET UNN A 223 55 ATOM 1 N SER A1499 6.913 35.696 3.465 1.00 57.92 N ATOM 2 CA SER A1499 5.668 36.162 4.139 1.00 55.22 C ATOM 3 C SER A1499 5.572 37.677 4.074 1.00 58.44 C ATOM 4 O SER A1499 6.492 38.363 3.589 1.00 50.61 O ATOM 5 CB SER A1499 5.639 35.723 5.610 1.00 59.72 C ATOM 6 OG SER A1499 6.664 36.372 6.353 1.00 59.28 O ATOM 7 HG SER A1499 6.625 36.074 7.296 1.00 0.00 H ATOM 8 HN3 SER A1499 7.739 36.111 3.941 1.00 0.00 H ATOM 9 HN2 SER A1499 6.899 35.994 2.469 1.00 0.00 H ATOM 10 HN1 SER A1499 6.966 34.659 3.517 1.00 0.00 H ATOM 11 N MET A1500 4.456 38.193 4.582 1.00 49.93 N ATOM 12 CA MET A1500 4.284 39.625 4.727 1.00 52.28 C ATOM 13 C MET A1500 5.318 40.170 5.690 1.00 53.53 C ATOM 14 O MET A1500 5.789 41.273 5.503 1.00 44.21 O ATOM 15 CB MET A1500 2.900 39.971 5.243 1.00 55.31 C ATOM 16 CG MET A1500 2.793 41.413 5.728 1.00 66.73 C ATOM 17 SD MET A1500 1.083 41.886 5.959 1.00 79.52 S ATOM 18 CE MET A1500 0.437 40.483 6.883 1.00 86.73 C ATOM 19 H MET A1500 3.691 37.556 4.881 1.00 0.00 H ATOM 20 N ASP A1501 5.660 39.392 6.712 1.00 51.34 N ATOM 21 CA ASP A1501 6.662 39.811 7.677 1.00 55.34 C ATOM 22 C ASP A1501 8.051 39.968 7.035 1.00 51.14 C ATOM 23 O ASP A1501 8.738 40.958 7.307 1.00 53.36 O ATOM 24 CB ASP A1501 6.706 38.847 8.864 1.00 61.17 C ATOM 25 CG ASP A1501 7.489 39.408 10.028 1.00 74.91 C ATOM 26 OD1 ASP A1501 8.729 39.233 10.069 1.00 78.02 O ATOM 27 OD2 ASP A1501 6.861 40.035 10.903 1.00 98.58 O ATOM 28 H ASP A1501 5.201 38.465 6.823 1.00 0.00 H ATOM 29 N ASP A1502 8.456 39.029 6.174 1.00 46.56 N ATOM 30 CA ASP A1502 9.731 39.160 5.434 1.00 50.22 C ATOM 31 C ASP A1502 9.731 40.385 4.522 1.00 52.15 C ATOM 32 O ASP A1502 10.764 41.030 4.341 1.00 47.06 O ATOM 33 CB ASP A1502 10.023 37.943 4.545 1.00 52.46 C ATOM 34 CG ASP A1502 10.184 36.651 5.321 1.00 60.00 C ATOM 35 OD1 ASP A1502 10.527 36.683 6.522 1.00 61.83 O ATOM 36 OD2 ASP A1502 9.977 35.589 4.700 1.00 74.26 O ATOM 37 H ASP A1502 7.863 38.189 6.021 1.00 0.00 H ATOM 38 N ASP A1503 8.582 40.670 3.909 1.00 49.06 N ATOM 39 CA ASP A1503 8.460 41.813 2.994 1.00 48.53 C ATOM 40 C ASP A1503 8.560 43.144 3.764 1.00 38.53 C ATOM 41 O ASP A1503 9.256 44.060 3.345 1.00 41.03 O ATOM 42 CB ASP A1503 7.151 41.726 2.188 1.00 45.56 C ATOM 43 CG ASP A1503 7.177 40.624 1.109 1.00 53.17 C ATOM 44 OD1 ASP A1503 8.257 40.064 0.791 1.00 47.81 O ATOM 45 OD2 ASP A1503 6.101 40.318 0.556 1.00 52.39 O ATOM 46 H ASP A1503 7.752 40.068 4.083 1.00 0.00 H ATOM 47 N GLN A1504 7.860 43.222 4.888 1.00 41.43 N ATOM 48 CA GLN A1504 7.941 44.351 5.820 1.00 40.59 C ATOM 49 C GLN A1504 9.387 44.635 6.239 1.00 46.97 C ATOM 50 O GLN A1504 9.849 45.781 6.276 1.00 44.81 O ATOM 51 CB GLN A1504 7.153 43.977 7.071 1.00 52.65 C ATOM 52 CG GLN A1504 6.563 45.141 7.799 1.00 59.78 C ATOM 53 CD GLN A1504 5.191 45.455 7.296 1.00 63.85 C ATOM 54 OE1 GLN A1504 4.317 44.592 7.291 1.00 72.52 O ATOM 55 NE2 GLN A1504 4.990 46.688 6.856 1.00 65.15 N ATOM 56 HE22 GLN A1504 5.764 47.382 6.882 1.00 0.00 H ATOM 57 HE21 GLN A1504 4.058 46.962 6.485 1.00 0.00 H ATOM 58 H GLN A1504 7.218 42.438 5.121 1.00 0.00 H ATOM 59 N VAL A1505 10.098 43.569 6.581 1.00 48.68 N ATOM 60 CA VAL A1505 11.509 43.663 6.951 1.00 49.79 C ATOM 61 C VAL A1505 12.391 44.162 5.793 1.00 46.85 C ATOM 62 O VAL A1505 13.260 45.021 5.994 1.00 47.39 O ATOM 63 CB VAL A1505 12.001 42.300 7.494 1.00 48.70 C ATOM 64 CG1 VAL A1505 13.523 42.218 7.533 1.00 48.99 C ATOM 65 CG2 VAL A1505 11.389 42.052 8.867 1.00 47.79 C ATOM 66 H VAL A1505 9.637 42.637 6.586 1.00 0.00 H ATOM 67 N ALA A1506 12.176 43.636 4.590 1.00 42.53 N ATOM 68 CA ALA A1506 12.959 44.054 3.426 1.00 44.14 C ATOM 69 C ALA A1506 12.691 45.509 3.073 1.00 43.99 C ATOM 70 O ALA A1506 13.608 46.245 2.684 1.00 43.61 O ATOM 71 CB ALA A1506 12.653 43.168 2.232 1.00 47.22 C ATOM 72 H ALA A1506 11.437 42.913 4.474 1.00 0.00 H ATOM 73 N PHE A1507 11.427 45.907 3.196 1.00 39.77 N ATOM 74 CA PHE A1507 10.999 47.270 2.901 1.00 40.13 C ATOM 75 C PHE A1507 11.634 48.242 3.894 1.00 39.41 C ATOM 76 O PHE A1507 12.262 49.222 3.503 1.00 38.69 O ATOM 77 CB PHE A1507 9.475 47.360 2.987 1.00 36.34 C ATOM 78 CG PHE A1507 8.897 48.618 2.413 1.00 36.75 C ATOM 79 CD1 PHE A1507 8.767 48.766 1.038 1.00 39.09 C ATOM 80 CD2 PHE A1507 8.431 49.640 3.239 1.00 37.19 C ATOM 81 CE1 PHE A1507 8.218 49.922 0.496 1.00 39.80 C ATOM 82 CE2 PHE A1507 7.872 50.792 2.702 1.00 36.86 C ATOM 83 CZ PHE A1507 7.766 50.934 1.322 1.00 36.07 C ATOM 84 H PHE A1507 10.716 45.219 3.515 1.00 0.00 H ATOM 85 N SER A1508 11.479 47.952 5.179 1.00 42.28 N ATOM 86 CA SER A1508 12.039 48.798 6.230 1.00 42.34 C ATOM 87 C SER A1508 13.575 48.857 6.207 1.00 42.96 C ATOM 88 O SER A1508 14.142 49.889 6.534 1.00 45.29 O ATOM 89 CB SER A1508 11.509 48.345 7.592 1.00 42.19 C ATOM 90 OG SER A1508 10.124 48.621 7.704 1.00 44.81 O ATOM 91 HG SER A1508 9.634 48.139 6.992 1.00 0.00 H ATOM 92 H SER A1508 10.945 47.100 5.445 1.00 0.00 H ATOM 93 N PHE A1509 14.243 47.767 5.817 1.00 40.56 N ATOM 94 CA PHE A1509 15.709 47.753 5.615 1.00 45.44 C ATOM 95 C PHE A1509 16.177 48.757 4.561 1.00 45.28 C ATOM 96 O PHE A1509 17.133 49.487 4.787 1.00 48.95 O ATOM 97 CB PHE A1509 16.205 46.342 5.236 1.00 50.82 C ATOM 98 CG PHE A1509 17.713 46.212 5.181 1.00 57.67 C ATOM 99 CD1 PHE A1509 18.466 46.144 6.359 1.00 58.48 C ATOM 100 CD2 PHE A1509 18.378 46.153 3.961 1.00 57.08 C ATOM 101 CE1 PHE A1509 19.847 46.025 6.312 1.00 58.94 C ATOM 102 CE2 PHE A1509 19.759 46.030 3.913 1.00 54.23 C ATOM 103 CZ PHE A1509 20.491 45.968 5.086 1.00 60.78 C ATOM 104 H PHE A1509 13.709 46.890 5.648 1.00 0.00 H ATOM 105 N ILE A1510 15.506 48.790 3.412 1.00 44.18 N ATOM 106 CA ILE A1510 15.838 49.740 2.345 1.00 43.61 C ATOM 107 C ILE A1510 15.625 51.187 2.816 1.00 43.51 C ATOM 108 O ILE A1510 16.492 52.039 2.618 1.00 41.97 O ATOM 109 CB ILE A1510 14.994 49.482 1.068 1.00 42.42 C ATOM 110 CG1 ILE A1510 15.309 48.097 0.490 1.00 49.32 C ATOM 111 CG2 ILE A1510 15.232 50.570 0.023 1.00 45.10 C ATOM 112 CD1 ILE A1510 14.274 47.594 -0.490 1.00 51.37 C ATOM 113 H ILE A1510 14.722 48.122 3.266 1.00 0.00 H ATOM 114 N LEU A1511 14.474 51.464 3.429 1.00 37.24 N ATOM 115 CA LEU A1511 14.186 52.814 3.919 1.00 34.89 C ATOM 116 C LEU A1511 15.225 53.253 4.961 1.00 38.70 C ATOM 117 O LEU A1511 15.721 54.380 4.908 1.00 40.29 O ATOM 118 CB LEU A1511 12.782 52.909 4.509 1.00 35.41 C ATOM 119 CG LEU A1511 11.593 52.648 3.563 1.00 35.06 C ATOM 120 CD1 LEU A1511 10.297 52.866 4.316 1.00 38.22 C ATOM 121 CD2 LEU A1511 11.643 53.515 2.312 1.00 37.42 C ATOM 122 H LEU A1511 13.770 50.710 3.561 1.00 0.00 H ATOM 123 N ASP A1512 15.566 52.361 5.890 1.00 38.12 N ATOM 124 CA ASP A1512 16.538 52.709 6.944 1.00 39.52 C ATOM 125 C ASP A1512 17.905 53.072 6.367 1.00 42.60 C ATOM 126 O ASP A1512 18.541 54.036 6.818 1.00 41.57 O ATOM 127 CB ASP A1512 16.670 51.595 7.983 1.00 41.78 C ATOM 128 CG ASP A1512 17.303 52.087 9.278 1.00 45.17 C ATOM 129 OD1 ASP A1512 16.688 52.938 9.961 1.00 41.31 O ATOM 130 OD2 ASP A1512 18.420 51.632 9.609 1.00 48.35 O ATOM 131 H ASP A1512 15.143 51.411 5.872 1.00 0.00 H ATOM 132 N ASN A1513 18.340 52.322 5.359 1.00 43.12 N ATOM 133 CA ASN A1513 19.584 52.637 4.655 1.00 43.04 C ATOM 134 C ASN A1513 19.534 53.959 3.906 1.00 39.78 C ATOM 135 O ASN A1513 20.547 54.650 3.831 1.00 44.01 O ATOM 136 CB ASN A1513 19.986 51.503 3.703 1.00 49.61 C ATOM 137 CG ASN A1513 20.524 50.291 4.439 1.00 61.15 C ATOM 138 OD1 ASN A1513 21.032 50.404 5.556 1.00 66.61 O ATOM 139 ND2 ASN A1513 20.422 49.124 3.814 1.00 63.72 N ATOM 140 HD22 ASN A1513 19.986 49.075 2.871 1.00 0.00 H ATOM 141 HD21 ASN A1513 20.779 48.258 4.267 1.00 0.00 H ATOM 142 H ASN A1513 17.784 51.494 5.064 1.00 0.00 H ATOM 143 N ILE A1514 18.369 54.322 3.362 1.00 36.17 N ATOM 144 CA ILE A1514 18.223 55.641 2.754 1.00 37.20 C ATOM 145 C ILE A1514 18.482 56.734 3.793 1.00 36.41 C ATOM 146 O ILE A1514 19.204 57.703 3.519 1.00 37.58 O ATOM 147 CB ILE A1514 16.844 55.860 2.094 1.00 36.44 C ATOM 148 CG1 ILE A1514 16.653 54.884 0.926 1.00 40.03 C ATOM 149 CG2 ILE A1514 16.731 57.290 1.602 1.00 40.71 C ATOM 150 CD1 ILE A1514 15.265 54.895 0.291 1.00 41.54 C ATOM 151 H ILE A1514 17.564 53.663 3.372 1.00 0.00 H ATOM 152 N VAL A1515 17.890 56.578 4.975 1.00 37.93 N ATOM 153 CA VAL A1515 18.064 57.552 6.046 1.00 36.82 C ATOM 154 C VAL A1515 19.533 57.618 6.495 1.00 37.55 C ATOM 155 O VAL A1515 20.136 58.689 6.509 1.00 37.23 O ATOM 156 CB VAL A1515 17.151 57.245 7.260 1.00 36.72 C ATOM 157 CG1 VAL A1515 17.462 58.185 8.421 1.00 37.16 C ATOM 158 CG2 VAL A1515 15.673 57.354 6.883 1.00 39.82 C ATOM 159 H VAL A1515 17.291 55.744 5.138 1.00 0.00 H ATOM 160 N THR A1516 20.108 56.471 6.838 1.00 39.95 N ATOM 161 CA THR A1516 21.426 56.450 7.479 1.00 40.20 C ATOM 162 C THR A1516 22.575 56.700 6.516 1.00 41.05 C ATOM 163 O THR A1516 23.528 57.407 6.858 1.00 42.30 O ATOM 164 CB THR A1516 21.693 55.138 8.240 1.00 41.81 C ATOM 165 OG1 THR A1516 21.718 54.039 7.329 1.00 46.53 O ATOM 166 CG2 THR A1516 20.652 54.915 9.319 1.00 43.82 C ATOM 167 HG1 THR A1516 21.890 53.202 7.828 1.00 0.00 H ATOM 168 H THR A1516 19.616 55.575 6.649 1.00 0.00 H ATOM 169 N GLN A1517 22.489 56.137 5.319 1.00 42.97 N ATOM 170 CA GLN A1517 23.574 56.243 4.344 1.00 42.25 C ATOM 171 C GLN A1517 23.461 57.484 3.465 1.00 44.41 C ATOM 172 O GLN A1517 24.471 57.970 2.978 1.00 43.55 O ATOM 173 CB GLN A1517 23.664 54.988 3.462 1.00 44.78 C ATOM 174 CG GLN A1517 23.711 53.686 4.232 1.00 50.82 C ATOM 175 CD GLN A1517 24.911 53.603 5.152 1.00 60.04 C ATOM 176 OE1 GLN A1517 26.055 53.583 4.693 1.00 68.24 O ATOM 177 NE2 GLN A1517 24.658 53.556 6.465 1.00 54.55 N ATOM 178 HE22 GLN A1517 23.676 53.575 6.806 1.00 0.00 H ATOM 179 HE21 GLN A1517 25.444 53.500 7.144 1.00 0.00 H ATOM 180 H GLN A1517 21.630 55.608 5.067 1.00 0.00 H ATOM 181 N LYS A1518 22.256 58.018 3.273 1.00 41.49 N ATOM 182 CA LYS A1518 22.091 59.130 2.351 1.00 41.76 C ATOM 183 C LYS A1518 21.642 60.423 3.037 1.00 38.74 C ATOM 184 O LYS A1518 22.302 61.462 2.918 1.00 42.50 O ATOM 185 CB LYS A1518 21.142 58.727 1.217 1.00 45.82 C ATOM 186 CG LYS A1518 21.748 57.731 0.230 1.00 52.26 C ATOM 187 CD LYS A1518 22.836 58.395 -0.609 1.00 56.51 C ATOM 188 CE LYS A1518 23.029 57.731 -1.963 1.00 70.97 C ATOM 189 NZ LYS A1518 23.942 56.554 -1.937 1.00 79.39 N ATOM 190 HZ1 LYS A1518 24.881 56.853 -1.605 1.00 0.00 H ATOM 191 HZ2 LYS A1518 23.558 55.833 -1.293 1.00 0.00 H ATOM 192 HZ3 LYS A1518 24.022 56.158 -2.895 1.00 0.00 H ATOM 193 H LYS A1518 21.433 57.639 3.783 1.00 0.00 H ATOM 194 N MET A1519 20.528 60.372 3.751 1.00 37.18 N ATOM 195 CA MET A1519 19.948 61.585 4.345 1.00 36.79 C ATOM 196 C MET A1519 20.798 62.127 5.505 1.00 34.10 C ATOM 197 O MET A1519 21.070 63.323 5.579 1.00 34.25 O ATOM 198 CB MET A1519 18.515 61.311 4.803 1.00 33.51 C ATOM 199 CG MET A1519 17.596 60.938 3.640 1.00 38.41 C ATOM 200 SD MET A1519 15.940 60.415 4.108 1.00 46.48 S ATOM 201 CE MET A1519 15.172 61.954 4.437 1.00 40.56 C ATOM 202 H MET A1519 20.055 59.457 3.894 1.00 0.00 H ATOM 203 N MET A1520 21.210 61.238 6.397 1.00 36.22 N ATOM 204 CA MET A1520 22.060 61.621 7.534 1.00 39.19 C ATOM 205 C MET A1520 23.464 62.048 7.132 1.00 37.85 C ATOM 206 O MET A1520 24.160 62.702 7.907 1.00 43.25 O ATOM 207 CB MET A1520 22.131 60.480 8.535 1.00 38.74 C ATOM 208 CG MET A1520 20.932 60.465 9.446 1.00 43.88 C ATOM 209 SD MET A1520 20.927 59.068 10.554 1.00 47.77 S ATOM 210 CE MET A1520 19.594 59.581 11.643 1.00 49.24 C ATOM 211 H MET A1520 20.925 60.244 6.290 1.00 0.00 H ATOM 212 N ALA A1521 23.872 61.677 5.924 1.00 39.03 N ATOM 213 CA ALA A1521 25.178 62.022 5.375 1.00 42.70 C ATOM 214 C ALA A1521 25.217 63.379 4.644 1.00 38.70 C ATOM 215 O ALA A1521 26.288 63.806 4.211 1.00 45.36 O ATOM 216 CB ALA A1521 25.639 60.905 4.436 1.00 47.26 C ATOM 217 H ALA A1521 23.226 61.110 5.338 1.00 0.00 H ATOM 218 N VAL A1522 24.074 64.055 4.508 1.00 37.88 N ATOM 219 CA VAL A1522 24.016 65.363 3.844 1.00 39.21 C ATOM 220 C VAL A1522 24.841 66.352 4.653 1.00 41.51 C ATOM 221 O VAL A1522 24.734 66.362 5.887 1.00 37.83 O ATOM 222 CB VAL A1522 22.558 65.872 3.742 1.00 37.45 C ATOM 223 CG1 VAL A1522 22.499 67.366 3.470 1.00 39.98 C ATOM 224 CG2 VAL A1522 21.814 65.106 2.657 1.00 40.21 C ATOM 225 H VAL A1522 23.197 63.642 4.884 1.00 0.00 H ATOM 226 N PRO A1523 25.663 67.182 3.987 1.00 39.91 N ATOM 227 CA PRO A1523 26.498 68.074 4.783 1.00 41.47 C ATOM 228 C PRO A1523 25.699 69.042 5.656 1.00 38.32 C ATOM 229 O PRO A1523 24.696 69.616 5.220 1.00 41.50 O ATOM 230 CB PRO A1523 27.311 68.827 3.721 1.00 47.87 C ATOM 231 CG PRO A1523 27.387 67.869 2.578 1.00 48.09 C ATOM 232 CD PRO A1523 26.041 67.212 2.558 1.00 44.80 C ATOM 233 N ASP A1524 26.167 69.209 6.890 1.00 36.17 N ATOM 234 CA ASP A1524 25.529 70.090 7.867 1.00 36.31 C ATOM 235 C ASP A1524 24.093 69.718 8.194 1.00 32.63 C ATOM 236 O ASP A1524 23.267 70.592 8.524 1.00 34.59 O ATOM 237 CB ASP A1524 25.621 71.547 7.418 1.00 41.17 C ATOM 238 CG ASP A1524 27.036 72.086 7.488 1.00 45.35 C ATOM 239 OD1 ASP A1524 27.763 71.869 8.488 1.00 53.72 O ATOM 240 OD2 ASP A1524 27.419 72.741 6.539 1.00 45.32 O ATOM 241 H ASP A1524 27.023 68.691 7.172 1.00 0.00 H ATOM 242 N SER A1525 23.807 68.422 8.150 1.00 34.56 N ATOM 243 CA SER A1525 22.451 67.927 8.448 1.00 33.43 C ATOM 244 C SER A1525 22.213 67.741 9.948 1.00 32.64 C ATOM 245 O SER A1525 21.130 67.326 10.346 1.00 30.87 O ATOM 246 CB SER A1525 22.168 66.610 7.735 1.00 33.86 C ATOM 247 OG SER A1525 23.092 65.616 8.115 1.00 34.31 O ATOM 248 HG SER A1525 23.031 65.466 9.092 1.00 0.00 H ATOM 249 H SER A1525 24.554 67.743 7.900 1.00 0.00 H ATOM 250 N TRP A1526 23.209 68.095 10.759 1.00 33.95 N ATOM 251 CA TRP A1526 23.105 67.967 12.215 1.00 34.64 C ATOM 252 C TRP A1526 21.832 68.530 12.893 1.00 29.75 C ATOM 253 O TRP A1526 21.389 67.936 13.882 1.00 36.26 O ATOM 254 CB TRP A1526 24.390 68.459 12.923 1.00 34.94 C ATOM 255 CG TRP A1526 25.006 69.730 12.389 1.00 29.75 C ATOM 256 CD1 TRP A1526 26.039 69.822 11.498 1.00 35.41 C ATOM 257 CD2 TRP A1526 24.634 71.069 12.716 1.00 30.39 C ATOM 258 NE1 TRP A1526 26.315 71.125 11.239 1.00 32.57 N ATOM 259 CE2 TRP A1526 25.483 71.919 11.997 1.00 30.68 C ATOM 260 CE3 TRP A1526 23.680 71.636 13.586 1.00 32.18 C ATOM 261 CZ2 TRP A1526 25.382 73.305 12.068 1.00 32.38 C ATOM 262 CZ3 TRP A1526 23.585 73.008 13.666 1.00 30.47 C ATOM 263 CH2 TRP A1526 24.439 73.837 12.907 1.00 31.68 C ATOM 264 HE1 TRP A1526 27.038 71.469 10.575 1.00 0.00 H ATOM 265 H TRP A1526 24.086 68.473 10.347 1.00 0.00 H ATOM 266 N PRO A1527 21.217 69.634 12.393 1.00 28.56 N ATOM 267 CA PRO A1527 19.950 70.009 13.057 1.00 29.50 C ATOM 268 C PRO A1527 18.817 69.005 12.933 1.00 30.53 C ATOM 269 O PRO A1527 17.825 69.128 13.656 1.00 29.56 O ATOM 270 CB PRO A1527 19.535 71.324 12.354 1.00 31.37 C ATOM 271 CG PRO A1527 20.759 71.790 11.629 1.00 31.02 C ATOM 272 CD PRO A1527 21.503 70.546 11.268 1.00 31.73 C ATOM 273 N PHE A1528 18.952 68.036 12.022 1.00 27.81 N ATOM 274 CA PHE A1528 17.828 67.216 11.643 1.00 30.81 C ATOM 275 C PHE A1528 17.885 65.768 12.129 1.00 30.04 C ATOM 276 O PHE A1528 16.952 65.007 11.883 1.00 31.17 O ATOM 277 CB PHE A1528 17.645 67.289 10.117 1.00 29.65 C ATOM 278 CG PHE A1528 17.430 68.685 9.626 1.00 27.39 C ATOM 279 CD1 PHE A1528 16.249 69.349 9.888 1.00 30.20 C ATOM 280 CD2 PHE A1528 18.440 69.370 8.983 1.00 28.93 C ATOM 281 CE1 PHE A1528 16.053 70.654 9.479 1.00 32.04 C ATOM 282 CE2 PHE A1528 18.245 70.672 8.569 1.00 30.09 C ATOM 283 CZ PHE A1528 17.063 71.318 8.827 1.00 32.49 C ATOM 284 H PHE A1528 19.879 67.871 11.581 1.00 0.00 H ATOM 285 N HIS A1529 18.960 65.399 12.823 1.00 31.83 N ATOM 286 CA HIS A1529 19.178 64.037 13.288 1.00 30.82 C ATOM 287 C HIS A1529 18.390 63.673 14.558 1.00 36.89 C ATOM 288 O HIS A1529 18.269 62.501 14.871 1.00 43.13 O ATOM 289 CB HIS A1529 20.666 63.801 13.573 1.00 36.89 C ATOM 290 CG HIS A1529 21.526 63.729 12.350 1.00 36.88 C ATOM 291 ND1 HIS A1529 22.568 62.840 12.223 1.00 41.98 N ATOM 292 CD2 HIS A1529 21.512 64.452 11.205 1.00 35.14 C ATOM 293 CE1 HIS A1529 23.166 63.023 11.060 1.00 38.67 C ATOM 294 NE2 HIS A1529 22.544 63.996 10.424 1.00 38.39 N ATOM 295 H HIS A1529 19.678 66.118 13.043 1.00 0.00 H ATOM 296 N HIS A1530 17.888 64.676 15.281 1.00 33.06 N ATOM 297 CA HIS A1530 17.125 64.483 16.507 1.00 30.24 C ATOM 298 C HIS A1530 15.942 65.446 16.553 1.00 30.68 C ATOM 299 O HIS A1530 15.953 66.470 15.868 1.00 30.59 O ATOM 300 CB HIS A1530 18.017 64.755 17.746 1.00 33.68 C ATOM 301 CG HIS A1530 19.309 64.014 17.726 1.00 38.92 C ATOM 302 ND1 HIS A1530 20.464 64.556 17.208 1.00 41.06 N ATOM 303 CD2 HIS A1530 19.625 62.754 18.115 1.00 45.75 C ATOM 304 CE1 HIS A1530 21.444 63.675 17.300 1.00 43.63 C ATOM 305 NE2 HIS A1530 20.961 62.572 17.841 1.00 48.26 N ATOM 306 H HIS A1530 18.050 65.649 14.951 1.00 0.00 H ATOM 307 N PRO A1531 14.947 65.152 17.409 1.00 33.37 N ATOM 308 CA PRO A1531 13.889 66.116 17.668 1.00 34.00 C ATOM 309 C PRO A1531 14.488 67.392 18.208 1.00 30.65 C ATOM 310 O PRO A1531 15.521 67.356 18.908 1.00 31.86 O ATOM 311 CB PRO A1531 13.024 65.435 18.744 1.00 34.92 C ATOM 312 CG PRO A1531 13.321 63.995 18.609 1.00 40.06 C ATOM 313 CD PRO A1531 14.766 63.918 18.201 1.00 35.03 C ATOM 314 N VAL A1532 13.865 68.512 17.864 1.00 30.67 N ATOM 315 CA VAL A1532 14.299 69.813 18.375 1.00 31.81 C ATOM 316 C VAL A1532 14.189 69.820 19.886 1.00 32.96 C ATOM 317 O VAL A1532 13.167 69.408 20.431 1.00 32.19 O ATOM 318 CB VAL A1532 13.470 70.964 17.794 1.00 32.62 C ATOM 319 CG1 VAL A1532 13.811 72.284 18.482 1.00 31.87 C ATOM 320 CG2 VAL A1532 13.709 71.068 16.291 1.00 31.42 C ATOM 321 H VAL A1532 13.051 68.464 17.218 1.00 0.00 H ATOM 322 N ASN A1533 15.238 70.294 20.553 1.00 30.33 N ATOM 323 CA ASN A1533 15.213 70.381 22.011 1.00 31.76 C ATOM 324 C ASN A1533 14.566 71.714 22.441 1.00 30.59 C ATOM 325 O ASN A1533 15.093 72.814 22.205 1.00 32.41 O ATOM 326 CB ASN A1533 16.614 70.182 22.568 1.00 31.07 C ATOM 327 CG ASN A1533 16.648 70.216 24.086 1.00 36.17 C ATOM 328 OD1 ASN A1533 15.881 70.929 24.738 1.00 37.48 O ATOM 329 ND2 ASN A1533 17.556 69.458 24.646 1.00 38.05 N ATOM 330 HD22 ASN A1533 18.181 68.873 24.056 1.00 0.00 H ATOM 331 HD21 ASN A1533 17.652 69.441 25.681 1.00 0.00 H ATOM 332 H ASN A1533 16.083 70.605 20.032 1.00 0.00 H ATOM 333 N LYS A1534 13.397 71.597 23.060 1.00 33.53 N ATOM 334 CA LYS A1534 12.557 72.724 23.434 1.00 32.81 C ATOM 335 C LYS A1534 13.273 73.690 24.395 1.00 30.83 C ATOM 336 O LYS A1534 12.963 74.880 24.442 1.00 35.43 O ATOM 337 CB LYS A1534 11.267 72.169 24.092 1.00 39.03 C ATOM 338 CG LYS A1534 10.321 73.177 24.702 1.00 50.72 C ATOM 339 CD LYS A1534 9.075 72.473 25.246 1.00 58.21 C ATOM 340 CE LYS A1534 8.150 73.476 25.912 1.00 68.63 C ATOM 341 NZ LYS A1534 6.810 72.931 26.248 1.00 74.19 N ATOM 342 HZ1 LYS A1534 6.340 72.609 25.378 1.00 0.00 H ATOM 343 HZ2 LYS A1534 6.917 72.130 26.902 1.00 0.00 H ATOM 344 HZ3 LYS A1534 6.238 73.674 26.698 1.00 0.00 H ATOM 345 H LYS A1534 13.061 70.640 23.292 1.00 0.00 H ATOM 346 N LYS A1535 14.233 73.185 25.160 1.00 31.11 N ATOM 347 CA LYS A1535 14.983 74.070 26.085 1.00 30.76 C ATOM 348 C LYS A1535 15.765 75.138 25.314 1.00 33.74 C ATOM 349 O LYS A1535 15.819 76.308 25.713 1.00 33.42 O ATOM 350 CB LYS A1535 15.913 73.268 26.955 1.00 36.10 C ATOM 351 CG LYS A1535 15.218 72.498 28.058 1.00 42.83 C ATOM 352 CD LYS A1535 16.243 71.599 28.720 1.00 52.60 C ATOM 353 CE LYS A1535 15.653 70.788 29.856 1.00 62.88 C ATOM 354 NZ LYS A1535 16.433 69.535 30.050 1.00 64.45 N ATOM 355 HZ1 LYS A1535 16.404 68.971 29.177 1.00 0.00 H ATOM 356 HZ2 LYS A1535 17.419 69.774 30.277 1.00 0.00 H ATOM 357 HZ3 LYS A1535 16.019 68.988 30.831 1.00 0.00 H ATOM 358 H LYS A1535 14.459 72.171 25.111 1.00 0.00 H ATOM 359 N PHE A1536 16.320 74.727 24.177 1.00 33.55 N ATOM 360 CA PHE A1536 17.077 75.618 23.300 1.00 32.45 C ATOM 361 C PHE A1536 16.203 76.412 22.324 1.00 35.09 C ATOM 362 O PHE A1536 16.611 77.488 21.840 1.00 32.28 O ATOM 363 CB PHE A1536 18.111 74.809 22.526 1.00 29.86 C ATOM 364 CG PHE A1536 19.257 74.340 23.353 1.00 30.49 C ATOM 365 CD1 PHE A1536 19.222 73.102 23.976 1.00 31.55 C ATOM 366 CD2 PHE A1536 20.388 75.133 23.496 1.00 32.53 C ATOM 367 CE1 PHE A1536 20.298 72.668 24.738 1.00 32.81 C ATOM 368 CE2 PHE A1536 21.455 74.698 24.233 1.00 31.27 C ATOM 369 CZ PHE A1536 21.422 73.463 24.847 1.00 32.44 C ATOM 370 H PHE A1536 16.211 73.730 23.901 1.00 0.00 H ATOM 371 N VAL A1537 15.017 75.879 22.020 1.00 33.94 N ATOM 372 CA VAL A1537 14.065 76.543 21.129 1.00 32.54 C ATOM 373 C VAL A1537 12.657 76.544 21.752 1.00 33.49 C ATOM 374 O VAL A1537 11.789 75.722 21.381 1.00 31.52 O ATOM 375 CB VAL A1537 14.043 75.871 19.725 1.00 32.22 C ATOM 376 CG1 VAL A1537 13.357 76.802 18.735 1.00 36.23 C ATOM 377 CG2 VAL A1537 15.461 75.498 19.283 1.00 32.17 C ATOM 378 H VAL A1537 14.761 74.959 22.431 1.00 0.00 H ATOM 379 N PRO A1538 12.422 77.445 22.727 1.00 33.14 N ATOM 380 CA PRO A1538 11.246 77.261 23.585 1.00 37.87 C ATOM 381 C PRO A1538 9.868 77.314 22.916 1.00 36.21 C ATOM 382 O PRO A1538 8.921 76.742 23.438 1.00 39.00 O ATOM 383 CB PRO A1538 11.378 78.381 24.625 1.00 38.87 C ATOM 384 CG PRO A1538 12.802 78.764 24.624 1.00 40.86 C ATOM 385 CD PRO A1538 13.363 78.447 23.263 1.00 38.51 C ATOM 386 N ASP A1539 9.757 77.982 21.780 1.00 36.42 N ATOM 387 CA ASP A1539 8.486 78.097 21.082 1.00 38.10 C ATOM 388 C ASP A1539 8.297 77.090 19.939 1.00 43.22 C ATOM 389 O ASP A1539 7.288 77.148 19.253 1.00 40.26 O ATOM 390 CB ASP A1539 8.342 79.517 20.520 1.00 43.47 C ATOM 391 CG ASP A1539 9.291 79.808 19.363 1.00 42.20 C ATOM 392 OD1 ASP A1539 10.339 79.148 19.228 1.00 41.31 O ATOM 393 OD2 ASP A1539 8.994 80.744 18.595 1.00 47.38 O ATOM 394 H ASP A1539 10.600 78.437 21.375 1.00 0.00 H ATOM 395 N TYR A1540 9.242 76.169 19.741 1.00 40.50 N ATOM 396 CA TYR A1540 9.228 75.315 18.538 1.00 35.47 C ATOM 397 C TYR A1540 7.911 74.546 18.412 1.00 37.78 C ATOM 398 O TYR A1540 7.286 74.557 17.355 1.00 37.22 O ATOM 399 CB TYR A1540 10.417 74.344 18.495 1.00 34.14 C ATOM 400 CG TYR A1540 10.537 73.665 17.136 1.00 32.89 C ATOM 401 CD1 TYR A1540 11.069 74.353 16.058 1.00 36.04 C ATOM 402 CD2 TYR A1540 10.066 72.382 16.931 1.00 29.86 C ATOM 403 CE1 TYR A1540 11.157 73.768 14.806 1.00 32.31 C ATOM 404 CE2 TYR A1540 10.143 71.773 15.681 1.00 29.83 C ATOM 405 CZ TYR A1540 10.703 72.481 14.622 1.00 31.66 C ATOM 406 OH TYR A1540 10.791 71.903 13.376 1.00 31.22 O ATOM 407 HH TYR A1540 11.212 72.541 12.747 1.00 0.00 H ATOM 408 H TYR A1540 9.999 76.052 20.444 1.00 0.00 H ATOM 409 N TYR A1541 7.480 73.937 19.515 1.00 36.87 N ATOM 410 CA TYR A1541 6.322 73.044 19.535 1.00 36.21 C ATOM 411 C TYR A1541 4.995 73.799 19.679 1.00 41.43 C ATOM 412 O TYR A1541 3.924 73.203 19.544 1.00 44.46 O ATOM 413 CB TYR A1541 6.505 71.965 20.610 1.00 40.27 C ATOM 414 CG TYR A1541 7.690 71.065 20.342 1.00 39.07 C ATOM 415 CD1 TYR A1541 7.558 69.927 19.570 1.00 43.42 C ATOM 416 CD2 TYR A1541 8.951 71.364 20.844 1.00 37.22 C ATOM 417 CE1 TYR A1541 8.641 69.105 19.308 1.00 38.93 C ATOM 418 CE2 TYR A1541 10.044 70.547 20.587 1.00 35.10 C ATOM 419 CZ TYR A1541 9.881 69.411 19.809 1.00 35.24 C ATOM 420 OH TYR A1541 10.925 68.553 19.515 1.00 35.49 O ATOM 421 HH TYR A1541 11.631 69.048 19.029 1.00 0.00 H ATOM 422 H TYR A1541 7.991 74.104 20.405 1.00 0.00 H ATOM 423 N LYS A1542 5.074 75.106 19.928 1.00 41.07 N ATOM 424 CA LYS A1542 3.931 76.010 19.771 1.00 41.74 C ATOM 425 C LYS A1542 3.683 76.341 18.307 1.00 41.69 C ATOM 426 O LYS A1542 2.547 76.424 17.882 1.00 49.82 O ATOM 427 CB LYS A1542 4.140 77.326 20.527 1.00 48.12 C ATOM 428 CG LYS A1542 3.437 77.379 21.861 1.00 61.60 C ATOM 429 CD LYS A1542 4.058 76.437 22.867 1.00 70.40 C ATOM 430 CE LYS A1542 3.166 76.312 24.091 1.00 79.49 C ATOM 431 NZ LYS A1542 3.980 76.265 25.331 1.00 85.50 N ATOM 432 HZ1 LYS A1542 4.618 75.445 25.294 1.00 0.00 H ATOM 433 HZ2 LYS A1542 4.540 77.138 25.410 1.00 0.00 H ATOM 434 HZ3 LYS A1542 3.351 76.180 26.154 1.00 0.00 H ATOM 435 H LYS A1542 5.982 75.500 20.246 1.00 0.00 H ATOM 436 N VAL A1543 4.756 76.527 17.549 1.00 39.76 N ATOM 437 CA VAL A1543 4.687 76.899 16.141 1.00 40.79 C ATOM 438 C VAL A1543 4.446 75.669 15.251 1.00 40.15 C ATOM 439 O VAL A1543 3.630 75.727 14.335 1.00 38.27 O ATOM 440 CB VAL A1543 5.995 77.603 15.696 1.00 39.88 C ATOM 441 CG1 VAL A1543 5.961 77.939 14.213 1.00 43.91 C ATOM 442 CG2 VAL A1543 6.226 78.870 16.505 1.00 44.04 C ATOM 443 H VAL A1543 5.694 76.401 17.981 1.00 0.00 H ATOM 444 N ILE A1544 5.144 74.569 15.547 1.00 33.75 N ATOM 445 CA ILE A1544 5.167 73.352 14.718 1.00 34.19 C ATOM 446 C ILE A1544 4.280 72.281 15.356 1.00 38.86 C ATOM 447 O ILE A1544 4.639 71.678 16.387 1.00 39.16 O ATOM 448 CB ILE A1544 6.625 72.848 14.528 1.00 33.73 C ATOM 449 CG1 ILE A1544 7.480 73.907 13.805 1.00 35.19 C ATOM 450 CG2 ILE A1544 6.697 71.511 13.788 1.00 35.14 C ATOM 451 CD1 ILE A1544 6.935 74.408 12.475 1.00 34.59 C ATOM 452 H ILE A1544 5.708 74.572 16.421 1.00 0.00 H ATOM 453 N VAL A1545 3.130 72.053 14.719 1.00 36.78 N ATOM 454 CA VAL A1545 2.109 71.107 15.186 1.00 41.50 C ATOM 455 C VAL A1545 2.520 69.639 15.010 1.00 38.82 C ATOM 456 O VAL A1545 2.184 68.794 15.844 1.00 41.96 O ATOM 457 CB VAL A1545 0.759 71.337 14.450 1.00 49.60 C ATOM 458 CG1 VAL A1545 -0.272 70.268 14.830 1.00 59.71 C ATOM 459 CG2 VAL A1545 0.203 72.724 14.755 1.00 53.73 C ATOM 460 H VAL A1545 2.946 72.577 13.839 1.00 0.00 H ATOM 461 N ASN A1546 3.220 69.337 13.914 1.00 37.15 N ATOM 462 CA ASN A1546 3.662 67.970 13.622 1.00 37.78 C ATOM 463 C ASN A1546 5.157 67.908 13.399 1.00 35.34 C ATOM 464 O ASN A1546 5.647 67.862 12.276 1.00 32.85 O ATOM 465 CB ASN A1546 2.900 67.417 12.427 1.00 42.19 C ATOM 466 CG ASN A1546 1.436 67.247 12.729 1.00 43.90 C ATOM 467 OD1 ASN A1546 1.053 66.436 13.572 1.00 48.99 O ATOM 468 ND2 ASN A1546 0.613 68.039 12.085 1.00 47.84 N ATOM 469 HD22 ASN A1546 0.981 68.709 11.380 1.00 0.00 H ATOM 470 HD21 ASN A1546 -0.408 67.997 12.279 1.00 0.00 H ATOM 471 H ASN A1546 3.460 70.097 13.245 1.00 0.00 H ATOM 472 N PRO A1547 5.911 67.922 14.492 1.00 34.90 N ATOM 473 CA PRO A1547 7.359 67.874 14.360 1.00 32.89 C ATOM 474 C PRO A1547 7.815 66.566 13.746 1.00 33.19 C ATOM 475 O PRO A1547 7.113 65.535 13.869 1.00 32.61 O ATOM 476 CB PRO A1547 7.864 68.000 15.800 1.00 34.28 C ATOM 477 CG PRO A1547 6.689 68.366 16.613 1.00 40.95 C ATOM 478 CD PRO A1547 5.460 67.987 15.890 1.00 38.13 C ATOM 479 N MET A1548 8.964 66.614 13.074 1.00 31.11 N ATOM 480 CA MET A1548 9.564 65.412 12.500 1.00 28.92 C ATOM 481 C MET A1548 11.070 65.595 12.385 1.00 29.08 C ATOM 482 O MET A1548 11.570 66.703 12.171 1.00 32.57 O ATOM 483 CB MET A1548 8.949 65.123 11.114 1.00 31.85 C ATOM 484 CG MET A1548 9.334 63.782 10.507 1.00 32.36 C ATOM 485 SD MET A1548 9.068 62.325 11.548 1.00 34.77 S ATOM 486 CE MET A1548 7.348 62.497 12.003 1.00 37.29 C ATOM 487 H MET A1548 9.445 67.528 12.955 1.00 0.00 H ATOM 488 N ASP A1549 11.790 64.496 12.523 1.00 30.20 N ATOM 489 CA ASP A1549 13.226 64.483 12.372 1.00 30.59 C ATOM 490 C ASP A1549 13.659 63.085 11.951 1.00 28.31 C ATOM 491 O ASP A1549 12.859 62.156 11.965 1.00 31.91 O ATOM 492 CB ASP A1549 13.872 64.826 13.699 1.00 34.65 C ATOM 493 CG ASP A1549 13.575 63.783 14.738 1.00 35.27 C ATOM 494 OD1 ASP A1549 12.497 63.860 15.352 1.00 38.15 O ATOM 495 OD2 ASP A1549 14.387 62.854 14.883 1.00 36.59 O ATOM 496 H ASP A1549 11.303 63.605 12.749 1.00 0.00 H ATOM 497 N LEU A1550 14.939 62.932 11.636 1.00 30.48 N ATOM 498 CA LEU A1550 15.441 61.693 11.064 1.00 32.18 C ATOM 499 C LEU A1550 15.487 60.539 12.073 1.00 33.31 C ATOM 500 O LEU A1550 15.302 59.412 11.677 1.00 32.73 O ATOM 501 CB LEU A1550 16.807 61.894 10.401 1.00 32.63 C ATOM 502 CG LEU A1550 16.841 62.877 9.216 1.00 34.91 C ATOM 503 CD1 LEU A1550 18.263 63.138 8.759 1.00 36.28 C ATOM 504 CD2 LEU A1550 15.983 62.361 8.065 1.00 34.86 C ATOM 505 H LEU A1550 15.600 63.718 11.802 1.00 0.00 H ATOM 506 N GLU A1551 15.731 60.812 13.360 1.00 32.55 N ATOM 507 CA GLU A1551 15.696 59.756 14.386 1.00 35.04 C ATOM 508 C GLU A1551 14.277 59.190 14.495 1.00 33.14 C ATOM 509 O GLU A1551 14.087 57.983 14.558 1.00 38.09 O ATOM 510 CB GLU A1551 16.151 60.303 15.748 1.00 37.63 C ATOM 511 CG GLU A1551 16.035 59.317 16.906 1.00 42.88 C ATOM 512 CD GLU A1551 16.562 59.888 18.218 1.00 48.05 C ATOM 513 OE1 GLU A1551 16.595 61.116 18.412 1.00 47.56 O ATOM 514 OE2 GLU A1551 16.961 59.083 19.067 1.00 57.81 O ATOM 515 H GLU A1551 15.950 61.789 13.641 1.00 0.00 H ATOM 516 N THR A1552 13.289 60.079 14.523 1.00 33.00 N ATOM 517 CA THR A1552 11.885 59.704 14.605 1.00 33.90 C ATOM 518 C THR A1552 11.461 58.881 13.394 1.00 36.79 C ATOM 519 O THR A1552 10.759 57.893 13.543 1.00 33.83 O ATOM 520 CB THR A1552 10.997 60.948 14.748 1.00 35.27 C ATOM 521 OG1 THR A1552 11.338 61.620 15.966 1.00 37.55 O ATOM 522 CG2 THR A1552 9.504 60.588 14.767 1.00 36.18 C ATOM 523 HG1 THR A1552 12.291 61.888 15.938 1.00 0.00 H ATOM 524 H THR A1552 13.531 61.090 14.485 1.00 0.00 H ATOM 525 N ILE A1553 11.892 59.286 12.197 1.00 33.52 N ATOM 526 CA ILE A1553 11.666 58.472 11.002 1.00 31.88 C ATOM 527 C ILE A1553 12.260 57.069 11.185 1.00 35.48 C ATOM 528 O ILE A1553 11.603 56.078 10.863 1.00 33.72 O ATOM 529 CB ILE A1553 12.205 59.170 9.737 1.00 31.95 C ATOM 530 CG1 ILE A1553 11.320 60.380 9.427 1.00 34.03 C ATOM 531 CG2 ILE A1553 12.235 58.208 8.551 1.00 33.33 C ATOM 532 CD1 ILE A1553 11.792 61.228 8.262 1.00 37.23 C ATOM 533 H ILE A1553 12.395 60.192 12.113 1.00 0.00 H ATOM 534 N ARG A1554 13.476 56.969 11.732 1.00 35.30 N ATOM 535 CA ARG A1554 14.095 55.657 11.953 1.00 35.84 C ATOM 536 C ARG A1554 13.314 54.806 12.961 1.00 37.93 C ATOM 537 O ARG A1554 13.161 53.597 12.773 1.00 41.89 O ATOM 538 CB ARG A1554 15.553 55.793 12.394 1.00 38.84 C ATOM 539 CG ARG A1554 16.490 56.232 11.279 1.00 39.60 C ATOM 540 CD ARG A1554 17.934 56.087 11.713 1.00 41.53 C ATOM 541 NE ARG A1554 18.380 54.706 11.588 1.00 41.99 N ATOM 542 CZ ARG A1554 19.295 54.124 12.354 1.00 49.50 C ATOM 543 NH1 ARG A1554 19.884 54.782 13.347 1.00 47.82 N ATOM 544 NH2 ARG A1554 19.618 52.859 12.130 1.00 54.81 N ATOM 545 HE ARG A1554 17.947 54.130 10.839 1.00 0.00 H ATOM 546 HH12 ARG A1554 20.598 54.306 13.935 1.00 0.00 H ATOM 547 HH11 ARG A1554 19.631 55.773 13.537 1.00 0.00 H ATOM 548 HH22 ARG A1554 20.333 52.392 12.723 1.00 0.00 H ATOM 549 HH21 ARG A1554 19.156 52.333 11.361 1.00 0.00 H ATOM 550 H ARG A1554 13.989 57.832 12.004 1.00 0.00 H ATOM 551 N LYS A1555 12.806 55.427 14.013 1.00 37.07 N ATOM 552 CA LYS A1555 11.962 54.718 14.971 1.00 36.65 C ATOM 553 C LYS A1555 10.666 54.235 14.325 1.00 38.97 C ATOM 554 O LYS A1555 10.216 53.119 14.565 1.00 41.50 O ATOM 555 CB LYS A1555 11.638 55.617 16.142 1.00 35.36 C ATOM 556 CG LYS A1555 12.863 55.983 16.963 1.00 40.35 C ATOM 557 CD LYS A1555 12.498 56.695 18.266 1.00 43.06 C ATOM 558 CE LYS A1555 13.728 57.062 19.097 1.00 43.60 C ATOM 559 NZ LYS A1555 14.871 56.118 18.964 1.00 49.59 N ATOM 560 HZ1 LYS A1555 14.573 55.169 19.269 1.00 0.00 H ATOM 561 HZ2 LYS A1555 15.177 56.084 17.971 1.00 0.00 H ATOM 562 HZ3 LYS A1555 15.659 56.443 19.560 1.00 0.00 H ATOM 563 H LYS A1555 13.011 56.436 14.160 1.00 0.00 H ATOM 564 N ASN A1556 10.057 55.087 13.517 1.00 38.11 N ATOM 565 CA ASN A1556 8.878 54.696 12.751 1.00 38.16 C ATOM 566 C ASN A1556 9.139 53.511 11.809 1.00 38.86 C ATOM 567 O ASN A1556 8.303 52.617 11.701 1.00 43.15 O ATOM 568 CB ASN A1556 8.343 55.897 11.958 1.00 35.18 C ATOM 569 CG ASN A1556 7.650 56.910 12.831 1.00 39.79 C ATOM 570 OD1 ASN A1556 7.304 56.623 13.985 1.00 39.82 O ATOM 571 ND2 ASN A1556 7.441 58.110 12.294 1.00 39.18 N ATOM 572 HD22 ASN A1556 7.749 58.305 11.320 1.00 0.00 H ATOM 573 HD21 ASN A1556 6.969 58.853 12.848 1.00 0.00 H ATOM 574 H ASN A1556 10.426 56.055 13.426 1.00 0.00 H ATOM 575 N ILE A1557 10.286 53.511 11.131 1.00 34.76 N ATOM 576 CA ILE A1557 10.677 52.414 10.234 1.00 37.88 C ATOM 577 C ILE A1557 10.814 51.113 11.021 1.00 42.05 C ATOM 578 O ILE A1557 10.348 50.070 10.577 1.00 45.80 O ATOM 579 CB ILE A1557 12.019 52.696 9.528 1.00 35.69 C ATOM 580 CG1 ILE A1557 11.863 53.799 8.470 1.00 35.03 C ATOM 581 CG2 ILE A1557 12.601 51.433 8.879 1.00 41.89 C ATOM 582 CD1 ILE A1557 13.175 54.316 7.921 1.00 36.36 C ATOM 583 H ILE A1557 10.931 54.320 11.241 1.00 0.00 H ATOM 584 N SER A1558 11.454 51.177 12.186 1.00 42.60 N ATOM 585 CA SER A1558 11.663 49.970 12.994 1.00 48.64 C ATOM 586 C SER A1558 10.323 49.384 13.462 1.00 48.34 C ATOM 587 O SER A1558 10.228 48.188 13.669 1.00 55.17 O ATOM 588 CB SER A1558 12.578 50.243 14.200 1.00 50.46 C ATOM 589 OG SER A1558 11.876 50.928 15.222 1.00 51.27 O ATOM 590 HG SER A1558 11.545 51.792 14.871 1.00 0.00 H ATOM 591 H SER A1558 11.810 52.093 12.528 1.00 0.00 H ATOM 592 N LYS A1559 9.299 50.224 13.621 1.00 43.70 N ATOM 593 CA LYS A1559 7.961 49.756 13.963 1.00 44.38 C ATOM 594 C LYS A1559 7.105 49.501 12.728 1.00 44.49 C ATOM 595 O LYS A1559 5.901 49.344 12.855 1.00 44.74 O ATOM 596 CB LYS A1559 7.243 50.779 14.829 1.00 44.01 C ATOM 597 CG LYS A1559 7.972 51.104 16.122 1.00 53.33 C ATOM 598 CD LYS A1559 7.310 52.278 16.807 1.00 60.17 C ATOM 599 CE LYS A1559 8.249 52.941 17.795 1.00 64.21 C ATOM 600 NZ LYS A1559 7.731 54.280 18.162 1.00 69.68 N ATOM 601 HZ1 LYS A1559 7.659 54.869 17.308 1.00 0.00 H ATOM 602 HZ2 LYS A1559 6.791 54.180 18.595 1.00 0.00 H ATOM 603 HZ3 LYS A1559 8.380 54.728 18.840 1.00 0.00 H ATOM 604 H LYS A1559 9.460 51.244 13.497 1.00 0.00 H ATOM 605 N HIS A1560 7.720 49.504 11.549 1.00 43.66 N ATOM 606 CA HIS A1560 7.023 49.249 10.285 1.00 45.64 C ATOM 607 C HIS A1560 5.823 50.169 10.033 1.00 42.15 C ATOM 608 O HIS A1560 4.807 49.725 9.490 1.00 43.74 O ATOM 609 CB HIS A1560 6.616 47.773 10.214 1.00 48.23 C ATOM 610 CG HIS A1560 7.777 46.840 10.305 1.00 51.83 C ATOM 611 ND1 HIS A1560 7.734 45.657 11.008 1.00 60.64 N ATOM 612 CD2 HIS A1560 9.028 46.931 9.799 1.00 55.70 C ATOM 613 CE1 HIS A1560 8.904 45.051 10.917 1.00 61.34 C ATOM 614 NE2 HIS A1560 9.707 45.802 10.187 1.00 60.73 N ATOM 615 H HIS A1560 8.742 49.696 11.523 1.00 0.00 H ATOM 616 N LYS A1561 5.947 51.446 10.419 1.00 38.66 N ATOM 617 CA LYS A1561 4.896 52.433 10.174 1.00 37.22 C ATOM 618 C LYS A1561 4.706 52.608 8.669 1.00 33.99 C ATOM 619 O LYS A1561 3.573 52.733 8.214 1.00 39.23 O ATOM 620 CB LYS A1561 5.214 53.802 10.800 1.00 42.01 C ATOM 621 CG LYS A1561 4.169 54.898 10.543 1.00 47.04 C ATOM 622 CD LYS A1561 4.589 56.293 11.050 1.00 56.24 C ATOM 623 CE LYS A1561 3.772 57.397 10.361 1.00 50.67 C ATOM 624 NZ LYS A1561 4.067 58.800 10.781 1.00 44.76 N ATOM 625 HZ1 LYS A1561 3.884 58.901 11.800 1.00 0.00 H ATOM 626 HZ2 LYS A1561 5.065 59.017 10.584 1.00 0.00 H ATOM 627 HZ3 LYS A1561 3.457 59.455 10.251 1.00 0.00 H ATOM 628 H LYS A1561 6.816 51.744 10.907 1.00 0.00 H ATOM 629 N TYR A1562 5.801 52.605 7.917 1.00 33.91 N ATOM 630 CA TYR A1562 5.724 52.901 6.478 1.00 34.07 C ATOM 631 C TYR A1562 5.548 51.639 5.648 1.00 38.03 C ATOM 632 O TYR A1562 6.381 50.725 5.659 1.00 41.68 O ATOM 633 CB TYR A1562 6.954 53.683 5.988 1.00 35.64 C ATOM 634 CG TYR A1562 7.258 54.890 6.847 1.00 33.03 C ATOM 635 CD1 TYR A1562 6.380 55.969 6.916 1.00 34.08 C ATOM 636 CD2 TYR A1562 8.396 54.922 7.635 1.00 34.19 C ATOM 637 CE1 TYR A1562 6.646 57.071 7.731 1.00 35.16 C ATOM 638 CE2 TYR A1562 8.666 56.012 8.444 1.00 35.41 C ATOM 639 CZ TYR A1562 7.790 57.075 8.493 1.00 31.00 C ATOM 640 OH TYR A1562 8.105 58.131 9.319 1.00 36.15 O ATOM 641 HH TYR A1562 7.396 58.819 9.258 1.00 0.00 H ATOM 642 H TYR A1562 6.722 52.391 8.350 1.00 0.00 H ATOM 643 N GLN A1563 4.451 51.620 4.908 1.00 39.85 N ATOM 644 CA GLN A1563 4.124 50.520 4.011 1.00 40.52 C ATOM 645 C GLN A1563 4.086 50.969 2.552 1.00 41.21 C ATOM 646 O GLN A1563 3.763 50.179 1.673 1.00 41.04 O ATOM 647 CB GLN A1563 2.784 49.927 4.428 1.00 47.21 C ATOM 648 CG GLN A1563 2.761 49.528 5.892 1.00 47.33 C ATOM 649 CD GLN A1563 1.843 48.365 6.145 1.00 51.51 C ATOM 650 OE1 GLN A1563 0.728 48.335 5.646 1.00 46.33 O ATOM 651 NE2 GLN A1563 2.304 47.402 6.927 1.00 61.49 N ATOM 652 HE22 GLN A1563 3.261 47.472 7.329 1.00 0.00 H ATOM 653 HE21 GLN A1563 1.710 46.575 7.139 1.00 0.00 H ATOM 654 H GLN A1563 3.795 52.424 4.970 1.00 0.00 H ATOM 655 N SER A1564 4.407 52.234 2.308 1.00 35.04 N ATOM 656 CA SER A1564 4.488 52.744 0.935 1.00 34.27 C ATOM 657 C SER A1564 5.566 53.806 0.846 1.00 36.79 C ATOM 658 O SER A1564 5.942 54.436 1.852 1.00 37.16 O ATOM 659 CB SER A1564 3.149 53.332 0.471 1.00 35.10 C ATOM 660 OG SER A1564 2.834 54.546 1.125 1.00 35.15 O ATOM 661 HG SER A1564 2.776 54.389 2.101 1.00 0.00 H ATOM 662 H SER A1564 4.604 52.874 3.104 1.00 0.00 H ATOM 663 N ARG A1565 6.060 53.993 -0.369 1.00 32.80 N ATOM 664 CA ARG A1565 6.996 55.066 -0.666 1.00 36.45 C ATOM 665 C ARG A1565 6.357 56.405 -0.298 1.00 35.70 C ATOM 666 O ARG A1565 7.009 57.270 0.312 1.00 37.55 O ATOM 667 CB ARG A1565 7.387 55.036 -2.156 1.00 38.32 C ATOM 668 CG ARG A1565 8.226 53.828 -2.590 1.00 39.95 C ATOM 669 CD ARG A1565 8.083 53.525 -4.093 1.00 40.51 C ATOM 670 NE ARG A1565 6.680 53.263 -4.415 1.00 38.58 N ATOM 671 CZ ARG A1565 6.088 53.504 -5.581 1.00 41.29 C ATOM 672 NH1 ARG A1565 6.768 54.007 -6.599 1.00 38.97 N ATOM 673 NH2 ARG A1565 4.796 53.238 -5.718 1.00 42.34 N ATOM 674 HE ARG A1565 6.092 52.850 -3.663 1.00 0.00 H ATOM 675 HH12 ARG A1565 6.290 54.190 -7.504 1.00 0.00 H ATOM 676 HH11 ARG A1565 7.781 54.220 -6.494 1.00 0.00 H ATOM 677 HH22 ARG A1565 4.321 53.422 -6.625 1.00 0.00 H ATOM 678 HH21 ARG A1565 4.258 52.846 -4.919 1.00 0.00 H ATOM 679 H ARG A1565 5.769 53.352 -1.135 1.00 0.00 H ATOM 680 N GLU A1566 5.082 56.581 -0.648 1.00 33.93 N ATOM 681 CA GLU A1566 4.366 57.812 -0.333 1.00 36.73 C ATOM 682 C GLU A1566 4.319 58.129 1.162 1.00 39.45 C ATOM 683 O GLU A1566 4.533 59.277 1.540 1.00 37.30 O ATOM 684 CB GLU A1566 2.941 57.781 -0.892 1.00 39.52 C ATOM 685 CG GLU A1566 2.172 59.055 -0.616 1.00 42.53 C ATOM 686 CD GLU A1566 0.846 59.152 -1.342 1.00 52.42 C ATOM 687 OE1 GLU A1566 0.543 58.315 -2.227 1.00 54.91 O ATOM 688 OE2 GLU A1566 0.097 60.097 -1.028 1.00 58.04 O ATOM 689 H GLU A1566 4.586 55.822 -1.158 1.00 0.00 H ATOM 690 N SER A1567 4.031 57.134 2.002 1.00 34.22 N ATOM 691 CA SER A1567 3.875 57.384 3.446 1.00 35.18 C ATOM 692 C SER A1567 5.217 57.847 4.028 1.00 32.94 C ATOM 693 O SER A1567 5.272 58.766 4.858 1.00 37.38 O ATOM 694 CB SER A1567 3.334 56.151 4.182 1.00 38.38 C ATOM 695 OG SER A1567 4.202 55.054 4.007 1.00 46.15 O ATOM 696 HG SER A1567 4.279 54.846 3.042 1.00 0.00 H ATOM 697 H SER A1567 3.915 56.169 1.633 1.00 0.00 H ATOM 698 N PHE A1568 6.295 57.223 3.561 1.00 32.88 N ATOM 699 CA PHE A1568 7.661 57.585 3.934 1.00 34.47 C ATOM 700 C PHE A1568 7.994 59.002 3.500 1.00 39.25 C ATOM 701 O PHE A1568 8.396 59.854 4.310 1.00 34.87 O ATOM 702 CB PHE A1568 8.617 56.583 3.298 1.00 34.02 C ATOM 703 CG PHE A1568 10.074 56.876 3.515 1.00 38.08 C ATOM 704 CD1 PHE A1568 10.637 56.819 4.793 1.00 36.20 C ATOM 705 CD2 PHE A1568 10.897 57.161 2.444 1.00 40.40 C ATOM 706 CE1 PHE A1568 11.979 57.047 4.979 1.00 36.56 C ATOM 707 CE2 PHE A1568 12.242 57.395 2.628 1.00 40.11 C ATOM 708 CZ PHE A1568 12.787 57.346 3.901 1.00 38.87 C ATOM 709 H PHE A1568 6.159 56.436 2.895 1.00 0.00 H ATOM 710 N LEU A1569 7.804 59.267 2.214 1.00 34.14 N ATOM 711 CA LEU A1569 8.068 60.595 1.684 1.00 37.42 C ATOM 712 C LEU A1569 7.306 61.709 2.353 1.00 36.95 C ATOM 713 O LEU A1569 7.792 62.861 2.399 1.00 40.11 O ATOM 714 CB LEU A1569 7.718 60.646 0.212 1.00 39.37 C ATOM 715 CG LEU A1569 8.921 60.543 -0.671 1.00 56.77 C ATOM 716 CD1 LEU A1569 8.434 60.453 -2.110 1.00 63.40 C ATOM 717 CD2 LEU A1569 9.822 61.735 -0.414 1.00 52.94 C ATOM 718 H LEU A1569 7.463 58.518 1.579 1.00 0.00 H ATOM 719 N ASP A1570 6.107 61.392 2.825 1.00 34.36 N ATOM 720 CA ASP A1570 5.304 62.373 3.509 1.00 35.81 C ATOM 721 C ASP A1570 5.969 62.845 4.790 1.00 35.31 C ATOM 722 O ASP A1570 5.954 64.026 5.047 1.00 34.41 O ATOM 723 CB ASP A1570 3.916 61.854 3.801 1.00 41.15 C ATOM 724 CG ASP A1570 3.023 61.794 2.546 1.00 46.27 C ATOM 725 OD1 ASP A1570 3.413 62.259 1.426 1.00 48.55 O ATOM 726 OD2 ASP A1570 1.911 61.276 2.711 1.00 47.70 O ATOM 727 H ASP A1570 5.743 60.426 2.700 1.00 0.00 H ATOM 728 N ASP A1571 6.515 61.931 5.590 1.00 34.69 N ATOM 729 CA ASP A1571 7.235 62.319 6.822 1.00 34.12 C ATOM 730 C ASP A1571 8.549 63.020 6.489 1.00 32.81 C ATOM 731 O ASP A1571 8.943 63.960 7.155 1.00 33.98 O ATOM 732 CB ASP A1571 7.478 61.109 7.744 1.00 33.94 C ATOM 733 CG ASP A1571 6.329 60.876 8.756 1.00 34.33 C ATOM 734 OD1 ASP A1571 5.366 61.683 8.851 1.00 38.61 O ATOM 735 OD2 ASP A1571 6.388 59.864 9.473 1.00 36.77 O ATOM 736 H ASP A1571 6.433 60.924 5.343 1.00 0.00 H ATOM 737 N VAL A1572 9.231 62.570 5.452 1.00 31.09 N ATOM 738 CA VAL A1572 10.434 63.259 4.994 1.00 30.12 C ATOM 739 C VAL A1572 10.120 64.708 4.577 1.00 34.05 C ATOM 740 O VAL A1572 10.838 65.655 4.963 1.00 33.05 O ATOM 741 CB VAL A1572 11.113 62.476 3.841 1.00 34.34 C ATOM 742 CG1 VAL A1572 12.233 63.291 3.223 1.00 37.03 C ATOM 743 CG2 VAL A1572 11.646 61.142 4.350 1.00 37.35 C ATOM 744 H VAL A1572 8.908 61.715 4.956 1.00 0.00 H ATOM 745 N ASN A1573 9.040 64.890 3.819 1.00 32.99 N ATOM 746 CA ASN A1573 8.618 66.244 3.409 1.00 34.23 C ATOM 747 C ASN A1573 8.286 67.157 4.606 1.00 33.20 C ATOM 748 O ASN A1573 8.413 68.381 4.537 1.00 32.86 O ATOM 749 CB ASN A1573 7.354 66.228 2.548 1.00 35.74 C ATOM 750 CG ASN A1573 7.508 65.533 1.214 1.00 47.27 C ATOM 751 OD1 ASN A1573 8.567 65.341 0.623 1.00 36.33 O ATOM 752 ND2 ASN A1573 6.360 65.133 0.730 1.00 52.87 N ATOM 753 HD22 ASN A1573 5.482 65.313 1.258 1.00 0.00 H ATOM 754 HD21 ASN A1573 6.325 64.635 -0.183 1.00 0.00 H ATOM 755 H ASN A1573 8.486 64.066 3.511 1.00 0.00 H ATOM 756 N LEU A1574 7.792 66.561 5.676 1.00 29.59 N ATOM 757 CA LEU A1574 7.438 67.295 6.870 1.00 30.89 C ATOM 758 C LEU A1574 8.659 68.002 7.497 1.00 31.93 C ATOM 759 O LEU A1574 8.543 69.117 8.024 1.00 33.28 O ATOM 760 CB LEU A1574 6.750 66.318 7.842 1.00 37.01 C ATOM 761 CG LEU A1574 5.879 66.784 8.972 1.00 40.89 C ATOM 762 CD1 LEU A1574 4.863 67.825 8.539 1.00 38.56 C ATOM 763 CD2 LEU A1574 5.214 65.544 9.557 1.00 36.20 C ATOM 764 H LEU A1574 7.653 65.530 5.659 1.00 0.00 H ATOM 765 N ILE A1575 9.831 67.388 7.399 1.00 30.85 N ATOM 766 CA ILE A1575 11.061 67.998 7.921 1.00 34.48 C ATOM 767 C ILE A1575 11.304 69.338 7.213 1.00 35.22 C ATOM 768 O ILE A1575 11.616 70.348 7.840 1.00 32.18 O ATOM 769 CB ILE A1575 12.281 67.046 7.771 1.00 35.83 C ATOM 770 CG1 ILE A1575 12.061 65.772 8.609 1.00 36.68 C ATOM 771 CG2 ILE A1575 13.573 67.734 8.194 1.00 34.69 C ATOM 772 CD1 ILE A1575 13.173 64.747 8.524 1.00 37.00 C ATOM 773 H ILE A1575 9.880 66.455 6.943 1.00 0.00 H ATOM 774 N LEU A1576 11.129 69.349 5.898 1.00 32.86 N ATOM 775 CA LEU A1576 11.305 70.563 5.122 1.00 30.80 C ATOM 776 C LEU A1576 10.198 71.574 5.377 1.00 29.17 C ATOM 777 O LEU A1576 10.475 72.765 5.600 1.00 30.89 O ATOM 778 CB LEU A1576 11.386 70.216 3.626 1.00 31.61 C ATOM 779 CG LEU A1576 11.370 71.372 2.633 1.00 33.15 C ATOM 780 CD1 LEU A1576 12.463 72.395 2.911 1.00 32.28 C ATOM 781 CD2 LEU A1576 11.531 70.781 1.237 1.00 38.91 C ATOM 782 H LEU A1576 10.860 68.469 5.413 1.00 0.00 H ATOM 783 N ALA A1577 8.946 71.118 5.341 1.00 32.65 N ATOM 784 CA ALA A1577 7.814 72.027 5.530 1.00 32.41 C ATOM 785 C ALA A1577 7.895 72.730 6.890 1.00 33.57 C ATOM 786 O ALA A1577 7.600 73.919 7.021 1.00 31.43 O ATOM 787 CB ALA A1577 6.504 71.273 5.404 1.00 33.83 C ATOM 788 H ALA A1577 8.771 70.106 5.177 1.00 0.00 H ATOM 789 N ASN A1578 8.299 71.978 7.908 1.00 30.48 N ATOM 790 CA ASN A1578 8.396 72.544 9.237 1.00 28.96 C ATOM 791 C ASN A1578 9.481 73.625 9.294 1.00 28.68 C ATOM 792 O ASN A1578 9.315 74.625 9.978 1.00 30.81 O ATOM 793 CB ASN A1578 8.697 71.445 10.253 1.00 29.08 C ATOM 794 CG ASN A1578 7.507 70.565 10.540 1.00 31.29 C ATOM 795 OD1 ASN A1578 6.348 70.916 10.262 1.00 34.28 O ATOM 796 ND2 ASN A1578 7.781 69.415 11.135 1.00 31.56 N ATOM 797 HD22 ASN A1578 8.767 69.162 11.349 1.00 0.00 H ATOM 798 HD21 ASN A1578 7.010 68.764 11.389 1.00 0.00 H ATOM 799 H ASN A1578 8.546 70.980 7.750 1.00 0.00 H ATOM 800 N SER A1579 10.589 73.412 8.582 1.00 27.29 N ATOM 801 CA SER A1579 11.669 74.397 8.541 1.00 28.79 C ATOM 802 C SER A1579 11.222 75.658 7.796 1.00 29.27 C ATOM 803 O SER A1579 11.499 76.755 8.226 1.00 29.16 O ATOM 804 CB SER A1579 12.955 73.810 7.948 1.00 30.02 C ATOM 805 OG SER A1579 14.018 74.765 7.966 1.00 29.99 O ATOM 806 HG SER A1579 13.757 75.557 7.432 1.00 0.00 H ATOM 807 H SER A1579 10.687 72.527 8.045 1.00 0.00 H ATOM 808 N VAL A1580 10.500 75.504 6.688 1.00 30.01 N ATOM 809 CA VAL A1580 9.921 76.665 6.008 1.00 31.98 C ATOM 810 C VAL A1580 9.059 77.470 6.976 1.00 31.62 C ATOM 811 O VAL A1580 9.171 78.687 7.064 1.00 32.61 O ATOM 812 CB VAL A1580 9.080 76.255 4.768 1.00 32.29 C ATOM 813 CG1 VAL A1580 8.398 77.467 4.147 1.00 35.02 C ATOM 814 CG2 VAL A1580 9.974 75.568 3.764 1.00 32.88 C ATOM 815 H VAL A1580 10.346 74.551 6.302 1.00 0.00 H ATOM 816 N LYS A1581 8.210 76.790 7.722 1.00 31.90 N ATOM 817 CA LYS A1581 7.308 77.471 8.648 1.00 32.77 C ATOM 818 C LYS A1581 8.041 78.162 9.817 1.00 31.85 C ATOM 819 O LYS A1581 7.702 79.299 10.195 1.00 33.12 O ATOM 820 CB LYS A1581 6.300 76.460 9.198 1.00 33.59 C ATOM 821 CG LYS A1581 5.257 77.054 10.114 1.00 40.63 C ATOM 822 CD LYS A1581 4.154 76.045 10.422 1.00 47.61 C ATOM 823 CE LYS A1581 3.299 76.506 11.587 1.00 60.56 C ATOM 824 NZ LYS A1581 2.283 77.497 11.172 1.00 74.95 N ATOM 825 HZ1 LYS A1581 2.757 78.330 10.768 1.00 0.00 H ATOM 826 HZ2 LYS A1581 1.657 77.072 10.458 1.00 0.00 H ATOM 827 HZ3 LYS A1581 1.722 77.784 11.999 1.00 0.00 H ATOM 828 H LYS A1581 8.182 75.753 7.650 1.00 0.00 H ATOM 829 N TYR A1582 9.005 77.471 10.419 1.00 30.22 N ATOM 830 CA TYR A1582 9.684 78.011 11.588 1.00 29.85 C ATOM 831 C TYR A1582 10.790 78.999 11.197 1.00 32.85 C ATOM 832 O TYR A1582 10.917 80.063 11.814 1.00 34.11 O ATOM 833 CB TYR A1582 10.221 76.889 12.503 1.00 30.39 C ATOM 834 CG TYR A1582 10.681 77.475 13.811 1.00 29.47 C ATOM 835 CD1 TYR A1582 9.787 77.716 14.836 1.00 35.93 C ATOM 836 CD2 TYR A1582 12.000 77.851 13.988 1.00 32.65 C ATOM 837 CE1 TYR A1582 10.203 78.325 16.012 1.00 36.22 C ATOM 838 CE2 TYR A1582 12.426 78.450 15.165 1.00 34.05 C ATOM 839 CZ TYR A1582 11.517 78.680 16.167 1.00 36.64 C ATOM 840 OH TYR A1582 11.949 79.274 17.321 1.00 39.21 O ATOM 841 HH TYR A1582 11.187 79.374 17.945 1.00 0.00 H ATOM 842 H TYR A1582 9.276 76.537 10.051 1.00 0.00 H ATOM 843 N ASN A1583 11.575 78.664 10.173 1.00 31.52 N ATOM 844 CA ASN A1583 12.765 79.442 9.830 1.00 32.62 C ATOM 845 C ASN A1583 12.631 80.334 8.591 1.00 38.00 C ATOM 846 O ASN A1583 13.415 81.283 8.446 1.00 32.96 O ATOM 847 CB ASN A1583 13.963 78.525 9.616 1.00 30.89 C ATOM 848 CG ASN A1583 14.258 77.652 10.818 1.00 32.47 C ATOM 849 OD1 ASN A1583 14.552 78.166 11.903 1.00 32.96 O ATOM 850 ND2 ASN A1583 14.180 76.342 10.643 1.00 28.13 N ATOM 851 HD22 ASN A1583 13.929 75.956 9.711 1.00 0.00 H ATOM 852 HD21 ASN A1583 14.370 75.699 11.438 1.00 0.00 H ATOM 853 H ASN A1583 11.335 77.828 9.603 1.00 0.00 H ATOM 854 N GLY A1584 11.682 80.009 7.703 1.00 35.34 N ATOM 855 CA GLY A1584 11.507 80.707 6.417 1.00 33.09 C ATOM 856 C GLY A1584 12.274 80.045 5.278 1.00 33.87 C ATOM 857 O GLY A1584 13.217 79.283 5.522 1.00 32.60 O ATOM 858 H GLY A1584 11.037 79.226 7.932 1.00 0.00 H ATOM 859 N PRO A1585 11.890 80.349 4.013 1.00 34.45 N ATOM 860 CA PRO A1585 12.517 79.746 2.821 1.00 35.00 C ATOM 861 C PRO A1585 13.983 80.025 2.667 1.00 34.04 C ATOM 862 O PRO A1585 14.700 79.195 2.128 1.00 39.08 O ATOM 863 CB PRO A1585 11.762 80.374 1.617 1.00 38.44 C ATOM 864 CG PRO A1585 10.877 81.407 2.173 1.00 39.91 C ATOM 865 CD PRO A1585 10.750 81.205 3.677 1.00 36.54 C ATOM 866 N GLU A1586 14.430 81.193 3.122 1.00 35.76 N ATOM 867 CA GLU A1586 15.813 81.611 2.881 1.00 37.48 C ATOM 868 C GLU A1586 16.812 81.144 3.955 1.00 37.46 C ATOM 869 O GLU A1586 18.022 81.289 3.791 1.00 37.58 O ATOM 870 CB GLU A1586 15.876 83.124 2.680 1.00 39.74 C ATOM 871 CG GLU A1586 15.076 83.625 1.476 1.00 42.83 C ATOM 872 CD GLU A1586 15.708 83.323 0.113 1.00 57.13 C ATOM 873 OE1 GLU A1586 16.637 82.490 0.007 1.00 53.42 O ATOM 874 OE2 GLU A1586 15.263 83.937 -0.886 1.00 56.17 O ATOM 875 H GLU A1586 13.790 81.816 3.655 1.00 0.00 H ATOM 876 N SER A1587 16.313 80.554 5.031 1.00 36.92 N ATOM 877 CA SER A1587 17.184 80.038 6.088 1.00 34.02 C ATOM 878 C SER A1587 18.065 78.904 5.609 1.00 32.78 C ATOM 879 O SER A1587 17.631 78.026 4.851 1.00 31.91 O ATOM 880 CB SER A1587 16.332 79.520 7.263 1.00 34.76 C ATOM 881 OG SER A1587 17.146 78.975 8.285 1.00 36.41 O ATOM 882 HG SER A1587 17.760 79.674 8.624 1.00 0.00 H ATOM 883 H SER A1587 15.282 80.456 5.127 1.00 0.00 H ATOM 884 N GLN A1588 19.298 78.890 6.098 1.00 31.03 N ATOM 885 CA GLN A1588 20.150 77.724 5.944 1.00 30.18 C ATOM 886 C GLN A1588 19.517 76.425 6.442 1.00 30.36 C ATOM 887 O GLN A1588 19.787 75.368 5.882 1.00 29.88 O ATOM 888 CB GLN A1588 21.513 77.938 6.593 1.00 30.19 C ATOM 889 CG GLN A1588 22.489 76.818 6.311 1.00 34.40 C ATOM 890 CD GLN A1588 22.772 76.640 4.836 1.00 36.41 C ATOM 891 OE1 GLN A1588 23.157 77.591 4.158 1.00 39.12 O ATOM 892 NE2 GLN A1588 22.590 75.422 4.326 1.00 38.36 N ATOM 893 HE22 GLN A1588 22.263 74.646 4.937 1.00 0.00 H ATOM 894 HE21 GLN A1588 22.775 75.248 3.318 1.00 0.00 H ATOM 895 H GLN A1588 19.660 79.726 6.599 1.00 0.00 H ATOM 896 N TYR A1589 18.704 76.481 7.506 1.00 30.31 N ATOM 897 CA TYR A1589 18.031 75.273 7.967 1.00 27.53 C ATOM 898 C TYR A1589 17.184 74.701 6.817 1.00 28.57 C ATOM 899 O TYR A1589 17.167 73.497 6.552 1.00 30.82 O ATOM 900 CB TYR A1589 17.125 75.566 9.149 1.00 28.29 C ATOM 901 CG TYR A1589 17.864 75.822 10.467 1.00 27.88 C ATOM 902 CD1 TYR A1589 18.362 74.768 11.217 1.00 32.10 C ATOM 903 CD2 TYR A1589 18.014 77.113 10.965 1.00 34.50 C ATOM 904 CE1 TYR A1589 19.026 74.995 12.423 1.00 31.29 C ATOM 905 CE2 TYR A1589 18.676 77.349 12.168 1.00 35.59 C ATOM 906 CZ TYR A1589 19.169 76.281 12.893 1.00 32.31 C ATOM 907 OH TYR A1589 19.820 76.491 14.103 1.00 32.44 O ATOM 908 HH TYR A1589 20.103 75.620 14.479 1.00 0.00 H ATOM 909 H TYR A1589 18.554 77.383 8.001 1.00 0.00 H ATOM 910 N THR A1590 16.492 75.595 6.135 1.00 31.50 N ATOM 911 CA THR A1590 15.544 75.213 5.071 1.00 30.15 C ATOM 912 C THR A1590 16.313 74.700 3.848 1.00 31.88 C ATOM 913 O THR A1590 15.940 73.683 3.250 1.00 31.35 O ATOM 914 CB THR A1590 14.615 76.394 4.729 1.00 29.21 C ATOM 915 OG1 THR A1590 13.809 76.726 5.868 1.00 31.61 O ATOM 916 CG2 THR A1590 13.671 76.032 3.542 1.00 32.88 C ATOM 917 HG1 THR A1590 13.215 77.485 5.641 1.00 0.00 H ATOM 918 H THR A1590 16.620 76.603 6.355 1.00 0.00 H ATOM 919 N LYS A1591 17.414 75.374 3.511 1.00 32.08 N ATOM 920 CA LYS A1591 18.280 74.926 2.415 1.00 32.12 C ATOM 921 C LYS A1591 18.835 73.526 2.645 1.00 33.76 C ATOM 922 O LYS A1591 18.865 72.670 1.735 1.00 33.57 O ATOM 923 CB LYS A1591 19.437 75.902 2.210 1.00 38.98 C ATOM 924 CG LYS A1591 19.035 77.302 1.785 1.00 40.78 C ATOM 925 CD LYS A1591 20.284 78.126 1.441 1.00 50.22 C ATOM 926 CE LYS A1591 20.061 79.629 1.506 1.00 56.17 C ATOM 927 NZ LYS A1591 18.880 80.061 0.726 1.00 62.98 N ATOM 928 HZ1 LYS A1591 19.010 79.799 -0.272 1.00 0.00 H ATOM 929 HZ2 LYS A1591 18.029 79.594 1.100 1.00 0.00 H ATOM 930 HZ3 LYS A1591 18.773 81.093 0.804 1.00 0.00 H ATOM 931 H LYS A1591 17.664 76.236 4.037 1.00 0.00 H ATOM 932 N THR A1592 19.256 73.262 3.879 1.00 31.06 N ATOM 933 CA THR A1592 19.773 71.938 4.214 1.00 28.98 C ATOM 934 C THR A1592 18.634 70.908 4.198 1.00 30.25 C ATOM 935 O THR A1592 18.828 69.791 3.745 1.00 30.59 O ATOM 936 CB THR A1592 20.532 71.965 5.575 1.00 28.40 C ATOM 937 OG1 THR A1592 21.695 72.798 5.429 1.00 31.25 O ATOM 938 CG2 THR A1592 20.974 70.595 5.977 1.00 30.45 C ATOM 939 HG1 THR A1592 22.279 72.426 4.722 1.00 0.00 H ATOM 940 H THR A1592 19.217 74.002 4.609 1.00 0.00 H ATOM 941 N ALA A1593 17.453 71.274 4.707 1.00 29.43 N ATOM 942 CA ALA A1593 16.324 70.336 4.718 1.00 30.01 C ATOM 943 C ALA A1593 15.936 69.974 3.287 1.00 29.98 C ATOM 944 O ALA A1593 15.624 68.825 2.993 1.00 31.58 O ATOM 945 CB ALA A1593 15.137 70.909 5.483 1.00 31.84 C ATOM 946 H ALA A1593 17.333 72.230 5.098 1.00 0.00 H ATOM 947 N GLN A1594 16.014 70.947 2.379 1.00 32.35 N ATOM 948 CA GLN A1594 15.712 70.669 0.966 1.00 31.84 C ATOM 949 C GLN A1594 16.688 69.657 0.345 1.00 33.54 C ATOM 950 O GLN A1594 16.285 68.778 -0.431 1.00 36.60 O ATOM 951 CB GLN A1594 15.691 71.971 0.176 1.00 36.66 C ATOM 952 CG GLN A1594 15.610 71.732 -1.317 1.00 43.95 C ATOM 953 CD GLN A1594 14.669 72.688 -1.973 1.00 60.20 C ATOM 954 OE1 GLN A1594 15.075 73.589 -2.703 1.00 85.33 O ATOM 955 NE2 GLN A1594 13.396 72.514 -1.697 1.00 58.17 N ATOM 956 HE22 GLN A1594 13.101 71.736 -1.073 1.00 0.00 H ATOM 957 HE21 GLN A1594 12.684 73.154 -2.103 1.00 0.00 H ATOM 958 H GLN A1594 16.289 71.907 2.671 1.00 0.00 H ATOM 959 N GLU A1595 17.966 69.782 0.683 1.00 32.03 N ATOM 960 CA GLU A1595 18.989 68.842 0.246 1.00 33.02 C ATOM 961 C GLU A1595 18.701 67.443 0.797 1.00 32.77 C ATOM 962 O GLU A1595 18.883 66.451 0.097 1.00 36.46 O ATOM 963 CB GLU A1595 20.353 69.360 0.676 1.00 45.47 C ATOM 964 CG GLU A1595 21.550 68.774 -0.027 1.00 56.38 C ATOM 965 CD GLU A1595 22.849 69.478 0.353 1.00 74.18 C ATOM 966 OE1 GLU A1595 22.826 70.382 1.232 1.00 70.40 O ATOM 967 OE2 GLU A1595 23.894 69.127 -0.241 1.00 86.99 O ATOM 968 H GLU A1595 18.248 70.583 1.284 1.00 0.00 H ATOM 969 N ILE A1596 18.224 67.353 2.047 1.00 33.95 N ATOM 970 CA ILE A1596 17.838 66.060 2.629 1.00 30.53 C ATOM 971 C ILE A1596 16.673 65.428 1.840 1.00 29.09 C ATOM 972 O ILE A1596 16.703 64.245 1.508 1.00 31.84 O ATOM 973 CB ILE A1596 17.455 66.219 4.127 1.00 31.42 C ATOM 974 CG1 ILE A1596 18.726 66.516 4.937 1.00 31.73 C ATOM 975 CG2 ILE A1596 16.766 64.964 4.644 1.00 34.03 C ATOM 976 CD1 ILE A1596 18.455 67.030 6.341 1.00 33.34 C ATOM 977 H ILE A1596 18.125 68.217 2.617 1.00 0.00 H ATOM 978 N VAL A1597 15.659 66.222 1.546 1.00 32.84 N ATOM 979 CA VAL A1597 14.504 65.736 0.789 1.00 32.51 C ATOM 980 C VAL A1597 14.942 65.304 -0.602 1.00 33.16 C ATOM 981 O VAL A1597 14.558 64.243 -1.043 1.00 35.44 O ATOM 982 CB VAL A1597 13.365 66.767 0.714 1.00 36.48 C ATOM 983 CG1 VAL A1597 12.250 66.282 -0.222 1.00 35.11 C ATOM 984 CG2 VAL A1597 12.802 67.037 2.113 1.00 38.93 C ATOM 985 H VAL A1597 15.682 67.214 1.859 1.00 0.00 H ATOM 986 N ASN A1598 15.768 66.113 -1.267 1.00 36.13 N ATOM 987 CA ASN A1598 16.246 65.786 -2.633 1.00 37.01 C ATOM 988 C ASN A1598 17.012 64.472 -2.683 1.00 38.05 C ATOM 989 O ASN A1598 16.791 63.664 -3.577 1.00 40.81 O ATOM 990 CB ASN A1598 17.112 66.920 -3.198 1.00 41.59 C ATOM 991 CG ASN A1598 16.313 68.183 -3.496 1.00 47.21 C ATOM 992 OD1 ASN A1598 15.083 68.198 -3.422 1.00 54.65 O ATOM 993 ND2 ASN A1598 17.016 69.261 -3.829 1.00 54.16 N ATOM 994 HD22 ASN A1598 18.053 69.210 -3.881 1.00 0.00 H ATOM 995 HD21 ASN A1598 16.529 70.156 -4.037 1.00 0.00 H ATOM 996 H ASN A1598 16.085 66.995 -0.817 1.00 0.00 H ATOM 997 N VAL A1599 17.901 64.251 -1.716 1.00 36.60 N ATOM 998 CA VAL A1599 18.677 63.018 -1.623 1.00 38.18 C ATOM 999 C VAL A1599 17.777 61.787 -1.375 1.00 39.04 C ATOM 1000 O VAL A1599 18.055 60.684 -1.880 1.00 42.21 O ATOM 1001 CB VAL A1599 19.793 63.179 -0.557 1.00 43.69 C ATOM 1002 CG1 VAL A1599 20.303 61.855 -0.036 1.00 55.80 C ATOM 1003 CG2 VAL A1599 20.942 63.977 -1.154 1.00 54.56 C ATOM 1004 H VAL A1599 18.048 64.988 -0.997 1.00 0.00 H ATOM 1005 N CYS A1600 16.714 61.981 -0.593 1.00 36.07 N ATOM 1006 CA CYS A1600 15.694 60.947 -0.389 1.00 34.44 C ATOM 1007 C CYS A1600 15.027 60.545 -1.718 1.00 32.87 C ATOM 1008 O CYS A1600 14.985 59.365 -2.035 1.00 36.61 O ATOM 1009 CB CYS A1600 14.620 61.434 0.563 1.00 36.12 C ATOM 1010 SG CYS A1600 13.446 60.163 1.042 1.00 40.26 S ATOM 1011 H CYS A1600 16.605 62.896 -0.112 1.00 0.00 H ATOM 1012 N TYR A1601 14.531 61.527 -2.466 1.00 36.54 N ATOM 1013 CA TYR A1601 13.888 61.275 -3.784 1.00 35.13 C ATOM 1014 C TYR A1601 14.834 60.566 -4.746 1.00 41.23 C ATOM 1015 O TYR A1601 14.442 59.609 -5.415 1.00 42.93 O ATOM 1016 CB TYR A1601 13.381 62.569 -4.431 1.00 39.69 C ATOM 1017 CG TYR A1601 13.041 62.412 -5.910 1.00 41.87 C ATOM 1018 CD1 TYR A1601 12.015 61.566 -6.319 1.00 44.48 C ATOM 1019 CD2 TYR A1601 13.757 63.098 -6.886 1.00 39.95 C ATOM 1020 CE1 TYR A1601 11.701 61.406 -7.658 1.00 36.11 C ATOM 1021 CE2 TYR A1601 13.452 62.934 -8.228 1.00 32.03 C ATOM 1022 CZ TYR A1601 12.422 62.098 -8.602 1.00 39.86 C ATOM 1023 OH TYR A1601 12.107 61.934 -9.934 1.00 43.44 O ATOM 1024 HH TYR A1601 11.348 61.304 -10.017 1.00 0.00 H ATOM 1025 H TYR A1601 14.595 62.505 -2.117 1.00 0.00 H ATOM 1026 N GLN A1602 16.084 61.037 -4.813 1.00 40.64 N ATOM 1027 CA GLN A1602 17.075 60.447 -5.729 1.00 45.17 C ATOM 1028 C GLN A1602 17.319 58.965 -5.409 1.00 43.90 C ATOM 1029 O GLN A1602 17.449 58.134 -6.315 1.00 45.18 O ATOM 1030 CB GLN A1602 18.406 61.237 -5.696 1.00 46.43 C ATOM 1031 CG GLN A1602 18.329 62.653 -6.270 1.00 56.24 C ATOM 1032 CD GLN A1602 19.469 63.581 -5.822 1.00 61.42 C ATOM 1033 OE1 GLN A1602 20.409 63.170 -5.134 1.00 57.08 O ATOM 1034 NE2 GLN A1602 19.377 64.847 -6.216 1.00 70.72 N ATOM 1035 HE22 GLN A1602 18.569 65.154 -6.795 1.00 0.00 H ATOM 1036 HE21 GLN A1602 20.113 65.531 -5.945 1.00 0.00 H ATOM 1037 H GLN A1602 16.362 61.835 -4.207 1.00 0.00 H ATOM 1038 N THR A1603 17.360 58.633 -4.120 1.00 45.77 N ATOM 1039 CA THR A1603 17.598 57.252 -3.679 1.00 45.59 C ATOM 1040 C THR A1603 16.355 56.376 -3.811 1.00 44.77 C ATOM 1041 O THR A1603 16.477 55.186 -4.102 1.00 48.44 O ATOM 1042 CB THR A1603 18.133 57.177 -2.227 1.00 43.85 C ATOM 1043 OG1 THR A1603 19.181 58.139 -2.056 1.00 43.37 O ATOM 1044 CG2 THR A1603 18.674 55.800 -1.934 1.00 44.40 C ATOM 1045 HG1 THR A1603 18.826 59.046 -2.232 1.00 0.00 H ATOM 1046 H THR A1603 17.219 59.374 -3.404 1.00 0.00 H ATOM 1047 N LEU A1604 15.170 56.941 -3.578 1.00 37.36 N ATOM 1048 CA LEU A1604 13.928 56.207 -3.866 1.00 40.94 C ATOM 1049 C LEU A1604 13.880 55.863 -5.350 1.00 41.62 C ATOM 1050 O LEU A1604 13.521 54.738 -5.723 1.00 41.49 O ATOM 1051 CB LEU A1604 12.686 57.013 -3.501 1.00 40.44 C ATOM 1052 CG LEU A1604 12.402 57.135 -1.994 1.00 35.92 C ATOM 1053 CD1 LEU A1604 11.293 58.148 -1.782 1.00 39.21 C ATOM 1054 CD2 LEU A1604 12.053 55.794 -1.352 1.00 39.94 C ATOM 1055 H LEU A1604 15.123 57.905 -3.191 1.00 0.00 H ATOM 1056 N THR A1605 14.223 56.834 -6.187 1.00 40.99 N ATOM 1057 CA THR A1605 14.301 56.589 -7.634 1.00 44.15 C ATOM 1058 C THR A1605 15.189 55.372 -7.908 1.00 47.37 C ATOM 1059 O THR A1605 14.810 54.463 -8.650 1.00 48.34 O ATOM 1060 CB THR A1605 14.825 57.823 -8.389 1.00 45.52 C ATOM 1061 OG1 THR A1605 13.880 58.896 -8.266 1.00 42.77 O ATOM 1062 CG2 THR A1605 15.054 57.491 -9.877 1.00 50.97 C ATOM 1063 HG1 THR A1605 13.760 59.120 -7.309 1.00 0.00 H ATOM 1064 H THR A1605 14.439 57.780 -5.814 1.00 0.00 H ATOM 1065 N GLU A1606 16.343 55.344 -7.262 1.00 45.09 N ATOM 1066 CA GLU A1606 17.315 54.284 -7.439 1.00 46.84 C ATOM 1067 C GLU A1606 16.773 52.893 -7.066 1.00 50.17 C ATOM 1068 O GLU A1606 17.117 51.927 -7.727 1.00 50.13 O ATOM 1069 CB GLU A1606 18.579 54.615 -6.639 1.00 53.20 C ATOM 1070 CG GLU A1606 19.768 53.721 -6.904 1.00 60.52 C ATOM 1071 CD GLU A1606 20.901 53.960 -5.925 1.00 73.67 C ATOM 1072 OE1 GLU A1606 20.977 55.069 -5.346 1.00 70.59 O ATOM 1073 OE2 GLU A1606 21.714 53.030 -5.735 1.00 88.33 O ATOM 1074 H GLU A1606 16.562 56.115 -6.599 1.00 0.00 H ATOM 1075 N TYR A1607 15.932 52.787 -6.034 1.00 46.15 N ATOM 1076 CA TYR A1607 15.416 51.482 -5.564 1.00 49.80 C ATOM 1077 C TYR A1607 13.912 51.297 -5.834 1.00 43.75 C ATOM 1078 O TYR A1607 13.258 50.480 -5.187 1.00 44.52 O ATOM 1079 CB TYR A1607 15.675 51.327 -4.054 1.00 48.77 C ATOM 1080 CG TYR A1607 17.129 51.279 -3.681 1.00 48.96 C ATOM 1081 CD1 TYR A1607 17.836 52.439 -3.424 1.00 61.44 C ATOM 1082 CD2 TYR A1607 17.797 50.071 -3.581 1.00 59.61 C ATOM 1083 CE1 TYR A1607 19.176 52.402 -3.080 1.00 66.21 C ATOM 1084 CE2 TYR A1607 19.137 50.022 -3.235 1.00 65.92 C ATOM 1085 CZ TYR A1607 19.820 51.195 -2.984 1.00 67.85 C ATOM 1086 OH TYR A1607 21.149 51.165 -2.638 1.00 73.78 O ATOM 1087 HH TYR A1607 21.473 52.090 -2.496 1.00 0.00 H ATOM 1088 H TYR A1607 15.629 53.652 -5.543 1.00 0.00 H ATOM 1089 N ASP A1608 13.377 52.044 -6.797 1.00 44.25 N ATOM 1090 CA ASP A1608 11.923 52.153 -7.005 1.00 42.62 C ATOM 1091 C ASP A1608 11.266 50.804 -7.377 1.00 44.93 C ATOM 1092 O ASP A1608 10.215 50.452 -6.823 1.00 38.67 O ATOM 1093 CB ASP A1608 11.652 53.221 -8.070 1.00 43.41 C ATOM 1094 CG ASP A1608 10.210 53.688 -8.122 1.00 43.45 C ATOM 1095 OD1 ASP A1608 9.466 53.633 -7.109 1.00 44.10 O ATOM 1096 OD2 ASP A1608 9.832 54.152 -9.218 1.00 45.20 O ATOM 1097 H ASP A1608 14.012 52.573 -7.429 1.00 0.00 H ATOM 1098 N GLU A1609 11.873 50.033 -8.281 1.00 48.39 N ATOM 1099 CA GLU A1609 11.320 48.744 -8.724 1.00 52.52 C ATOM 1100 C GLU A1609 11.074 47.827 -7.521 1.00 45.43 C ATOM 1101 O GLU A1609 9.992 47.280 -7.332 1.00 46.76 O ATOM 1102 CB GLU A1609 12.284 48.070 -9.730 1.00 59.30 C ATOM 1103 CG GLU A1609 11.675 46.973 -10.607 1.00 60.79 C ATOM 1104 CD GLU A1609 12.655 46.443 -11.645 1.00 60.67 C ATOM 1105 OE1 GLU A1609 12.574 46.860 -12.817 1.00 61.86 O ATOM 1106 OE2 GLU A1609 13.520 45.619 -11.293 1.00 53.69 O ATOM 1107 H GLU A1609 12.773 50.356 -8.689 1.00 0.00 H ATOM 1108 N HIS A1610 12.117 47.664 -6.698 1.00 45.13 N ATOM 1109 CA HIS A1610 12.034 46.753 -5.538 1.00 44.13 C ATOM 1110 C HIS A1610 11.063 47.299 -4.481 1.00 43.41 C ATOM 1111 O HIS A1610 10.249 46.552 -3.925 1.00 43.04 O ATOM 1112 CB HIS A1610 13.427 46.482 -4.944 1.00 46.06 C ATOM 1113 CG HIS A1610 13.482 45.321 -3.994 1.00 49.98 C ATOM 1114 ND1 HIS A1610 14.545 45.113 -3.142 1.00 55.49 N ATOM 1115 CD2 HIS A1610 12.609 44.313 -3.753 1.00 56.45 C ATOM 1116 CE1 HIS A1610 14.331 44.026 -2.423 1.00 55.29 C ATOM 1117 NE2 HIS A1610 13.161 43.523 -2.773 1.00 52.97 N ATOM 1118 H HIS A1610 12.998 48.186 -6.878 1.00 0.00 H ATOM 1119 N LEU A1611 11.131 48.600 -4.217 1.00 39.33 N ATOM 1120 CA LEU A1611 10.205 49.203 -3.266 1.00 37.82 C ATOM 1121 C LEU A1611 8.756 49.086 -3.734 1.00 38.94 C ATOM 1122 O LEU A1611 7.859 48.843 -2.919 1.00 36.09 O ATOM 1123 CB LEU A1611 10.561 50.673 -2.995 1.00 38.52 C ATOM 1124 CG LEU A1611 11.855 50.890 -2.191 1.00 40.54 C ATOM 1125 CD1 LEU A1611 12.226 52.364 -2.213 1.00 41.52 C ATOM 1126 CD2 LEU A1611 11.702 50.387 -0.759 1.00 41.59 C ATOM 1127 H LEU A1611 11.846 49.189 -4.690 1.00 0.00 H ATOM 1128 N THR A1612 8.520 49.275 -5.030 1.00 39.99 N ATOM 1129 CA THR A1612 7.160 49.199 -5.590 1.00 40.90 C ATOM 1130 C THR A1612 6.593 47.780 -5.470 1.00 36.88 C ATOM 1131 O THR A1612 5.435 47.610 -5.046 1.00 38.76 O ATOM 1132 CB THR A1612 7.097 49.706 -7.050 1.00 44.02 C ATOM 1133 OG1 THR A1612 7.573 51.055 -7.117 1.00 42.02 O ATOM 1134 CG2 THR A1612 5.651 49.678 -7.585 1.00 44.72 C ATOM 1135 HG1 THR A1612 7.530 51.373 -8.054 1.00 0.00 H ATOM 1136 H THR A1612 9.318 49.482 -5.665 1.00 0.00 H ATOM 1137 N GLN A1613 7.403 46.772 -5.802 1.00 39.97 N ATOM 1138 CA GLN A1613 6.933 45.389 -5.678 1.00 41.00 C ATOM 1139 C GLN A1613 6.671 45.016 -4.217 1.00 42.40 C ATOM 1140 O GLN A1613 5.651 44.396 -3.928 1.00 39.32 O ATOM 1141 CB GLN A1613 7.872 44.379 -6.350 1.00 41.90 C ATOM 1142 CG GLN A1613 7.246 42.994 -6.523 1.00 45.37 C ATOM 1143 CD GLN A1613 5.922 43.016 -7.280 1.00 44.32 C ATOM 1144 OE1 GLN A1613 4.869 42.687 -6.737 1.00 47.17 O ATOM 1145 NE2 GLN A1613 5.973 43.407 -8.536 1.00 38.74 N ATOM 1146 HE22 GLN A1613 6.883 43.678 -8.960 1.00 0.00 H ATOM 1147 HE21 GLN A1613 5.103 43.445 -9.104 1.00 0.00 H ATOM 1148 H GLN A1613 8.364 46.967 -6.147 1.00 0.00 H ATOM 1149 N LEU A1614 7.550 45.417 -3.299 1.00 40.76 N ATOM 1150 CA LEU A1614 7.314 45.166 -1.863 1.00 38.34 C ATOM 1151 C LEU A1614 6.032 45.823 -1.349 1.00 34.12 C ATOM 1152 O LEU A1614 5.259 45.220 -0.620 1.00 39.00 O ATOM 1153 CB LEU A1614 8.511 45.631 -1.023 1.00 41.83 C ATOM 1154 CG LEU A1614 9.740 44.737 -1.138 1.00 41.71 C ATOM 1155 CD1 LEU A1614 10.965 45.416 -0.532 1.00 45.09 C ATOM 1156 CD2 LEU A1614 9.489 43.385 -0.481 1.00 46.27 C ATOM 1157 H LEU A1614 8.414 45.913 -3.598 1.00 0.00 H ATOM 1158 N GLU A1615 5.814 47.062 -1.742 1.00 33.37 N ATOM 1159 CA GLU A1615 4.659 47.836 -1.320 1.00 33.19 C ATOM 1160 C GLU A1615 3.363 47.168 -1.800 1.00 34.67 C ATOM 1161 O GLU A1615 2.378 47.026 -1.053 1.00 33.70 O ATOM 1162 CB GLU A1615 4.868 49.256 -1.867 1.00 37.79 C ATOM 1163 CG GLU A1615 3.700 50.087 -2.270 1.00 43.64 C ATOM 1164 CD GLU A1615 4.128 51.496 -2.709 1.00 43.08 C ATOM 1165 OE1 GLU A1615 3.361 52.121 -3.457 1.00 39.59 O ATOM 1166 OE2 GLU A1615 5.230 51.988 -2.326 1.00 41.38 O ATOM 1167 H GLU A1615 6.501 47.506 -2.384 1.00 0.00 H ATOM 1168 N LYS A1616 3.369 46.742 -3.052 1.00 35.62 N ATOM 1169 CA LYS A1616 2.249 45.947 -3.573 1.00 34.44 C ATOM 1170 C LYS A1616 2.031 44.619 -2.820 1.00 32.58 C ATOM 1171 O LYS A1616 0.906 44.304 -2.444 1.00 35.49 O ATOM 1172 CB LYS A1616 2.434 45.706 -5.074 1.00 35.09 C ATOM 1173 CG LYS A1616 2.215 46.978 -5.877 1.00 35.80 C ATOM 1174 CD LYS A1616 2.473 46.760 -7.361 1.00 38.94 C ATOM 1175 CE LYS A1616 2.087 48.004 -8.149 1.00 41.97 C ATOM 1176 NZ LYS A1616 2.460 47.878 -9.584 1.00 43.10 N ATOM 1177 HZ1 LYS A1616 3.488 47.743 -9.663 1.00 0.00 H ATOM 1178 HZ2 LYS A1616 1.969 47.060 -9.998 1.00 0.00 H ATOM 1179 HZ3 LYS A1616 2.182 48.743 -10.090 1.00 0.00 H ATOM 1180 H LYS A1616 4.172 46.971 -3.672 1.00 0.00 H ATOM 1181 N ASP A1617 3.107 43.861 -2.609 1.00 35.76 N ATOM 1182 CA ASP A1617 3.041 42.547 -1.949 1.00 36.61 C ATOM 1183 C ASP A1617 2.570 42.668 -0.505 1.00 36.87 C ATOM 1184 O ASP A1617 1.791 41.839 -0.040 1.00 39.15 O ATOM 1185 CB ASP A1617 4.412 41.821 -1.997 1.00 43.89 C ATOM 1186 CG ASP A1617 4.798 41.327 -3.413 1.00 48.01 C ATOM 1187 OD1 ASP A1617 3.981 41.412 -4.344 1.00 49.14 O ATOM 1188 OD2 ASP A1617 5.941 40.845 -3.605 1.00 49.97 O ATOM 1189 H ASP A1617 4.033 44.213 -2.924 1.00 0.00 H ATOM 1190 N ILE A1618 3.052 43.693 0.208 1.00 34.95 N ATOM 1191 CA ILE A1618 2.620 43.944 1.586 1.00 35.88 C ATOM 1192 C ILE A1618 1.119 44.255 1.626 1.00 36.15 C ATOM 1193 O ILE A1618 0.371 43.704 2.449 1.00 35.28 O ATOM 1194 CB ILE A1618 3.447 45.085 2.246 1.00 35.99 C ATOM 1195 CG1 ILE A1618 4.904 44.660 2.439 1.00 37.52 C ATOM 1196 CG2 ILE A1618 2.845 45.485 3.583 1.00 39.88 C ATOM 1197 CD1 ILE A1618 5.860 45.810 2.696 1.00 38.84 C ATOM 1198 H ILE A1618 3.751 44.328 -0.227 1.00 0.00 H ATOM 1199 N CYS A1619 0.672 45.136 0.731 1.00 34.20 N ATOM 1200 CA CYS A1619 -0.735 45.503 0.669 1.00 34.77 C ATOM 1201 C CYS A1619 -1.628 44.293 0.315 1.00 32.47 C ATOM 1202 O CYS A1619 -2.689 44.083 0.915 1.00 33.85 O ATOM 1203 CB CYS A1619 -0.939 46.640 -0.358 1.00 34.40 C ATOM 1204 SG CYS A1619 -2.649 47.169 -0.456 1.00 38.88 S ATOM 1205 H CYS A1619 1.342 45.570 0.064 1.00 0.00 H ATOM 1206 N THR A1620 -1.206 43.507 -0.665 1.00 33.19 N ATOM 1207 CA THR A1620 -1.979 42.345 -1.079 1.00 33.80 C ATOM 1208 C THR A1620 -2.137 41.353 0.086 1.00 35.19 C ATOM 1209 O THR A1620 -3.245 40.864 0.366 1.00 36.05 O ATOM 1210 CB THR A1620 -1.319 41.680 -2.295 1.00 37.14 C ATOM 1211 OG1 THR A1620 -1.354 42.605 -3.390 1.00 42.95 O ATOM 1212 CG2 THR A1620 -2.062 40.430 -2.667 1.00 42.34 C ATOM 1213 HG1 THR A1620 -0.931 42.191 -4.184 1.00 0.00 H ATOM 1214 H THR A1620 -0.309 43.724 -1.145 1.00 0.00 H ATOM 1215 N ALA A1621 -1.036 41.104 0.794 1.00 37.76 N ATOM 1216 CA ALA A1621 -1.053 40.178 1.939 1.00 38.74 C ATOM 1217 C ALA A1621 -1.961 40.683 3.072 1.00 39.92 C ATOM 1218 O ALA A1621 -2.755 39.921 3.662 1.00 37.74 O ATOM 1219 CB ALA A1621 0.369 39.942 2.436 1.00 40.71 C ATOM 1220 H ALA A1621 -0.146 41.574 0.532 1.00 0.00 H ATOM 1221 N LYS A1622 -1.858 41.977 3.357 1.00 37.15 N ATOM 1222 CA LYS A1622 -2.714 42.629 4.338 1.00 36.70 C ATOM 1223 C LYS A1622 -4.207 42.489 3.996 1.00 39.23 C ATOM 1224 O LYS A1622 -5.014 42.169 4.875 1.00 40.82 O ATOM 1225 CB LYS A1622 -2.305 44.115 4.483 1.00 47.54 C ATOM 1226 CG LYS A1622 -3.025 44.854 5.596 1.00 59.91 C ATOM 1227 CD LYS A1622 -2.989 46.370 5.422 1.00 66.22 C ATOM 1228 CE LYS A1622 -1.674 46.960 5.884 1.00 68.58 C ATOM 1229 NZ LYS A1622 -1.904 48.246 6.598 1.00 72.61 N ATOM 1230 HZ1 LYS A1622 -2.371 48.919 5.957 1.00 0.00 H ATOM 1231 HZ2 LYS A1622 -2.510 48.078 7.426 1.00 0.00 H ATOM 1232 HZ3 LYS A1622 -0.992 48.637 6.908 1.00 0.00 H ATOM 1233 H LYS A1622 -1.141 42.544 2.862 1.00 0.00 H ATOM 1234 N GLU A1623 -4.563 42.702 2.722 1.00 36.43 N ATOM 1235 CA GLU A1623 -5.958 42.643 2.273 1.00 37.10 C ATOM 1236 C GLU A1623 -6.464 41.205 2.392 1.00 36.45 C ATOM 1237 O GLU A1623 -7.611 40.958 2.755 1.00 39.90 O ATOM 1238 CB GLU A1623 -6.119 43.069 0.783 1.00 46.01 C ATOM 1239 CG GLU A1623 -5.492 44.390 0.342 1.00 59.59 C ATOM 1240 CD GLU A1623 -6.273 45.614 0.759 1.00 73.78 C ATOM 1241 OE1 GLU A1623 -7.076 45.507 1.722 1.00 72.97 O ATOM 1242 OE2 GLU A1623 -6.073 46.688 0.125 1.00 64.65 O ATOM 1243 H GLU A1623 -3.822 42.917 2.025 1.00 0.00 H ATOM 1244 N ALA A1624 -5.609 40.254 2.054 1.00 34.12 N ATOM 1245 CA ALA A1624 -6.011 38.851 2.086 1.00 33.30 C ATOM 1246 C ALA A1624 -6.254 38.407 3.539 1.00 34.87 C ATOM 1247 O ALA A1624 -7.234 37.730 3.818 1.00 36.07 O ATOM 1248 CB ALA A1624 -4.962 37.986 1.397 1.00 37.23 C ATOM 1249 H ALA A1624 -4.643 40.508 1.763 1.00 0.00 H ATOM 1250 N ALA A1625 -5.395 38.847 4.460 1.00 39.18 N ATOM 1251 CA ALA A1625 -5.604 38.538 5.897 1.00 38.84 C ATOM 1252 C ALA A1625 -6.907 39.135 6.416 1.00 37.77 C ATOM 1253 O ALA A1625 -7.640 38.490 7.172 1.00 40.19 O ATOM 1254 CB ALA A1625 -4.431 39.023 6.734 1.00 38.76 C ATOM 1255 H ALA A1625 -4.572 39.412 4.169 1.00 0.00 H ATOM 1256 N LEU A1626 -7.209 40.366 6.010 1.00 40.82 N ATOM 1257 CA LEU A1626 -8.474 40.987 6.378 1.00 44.61 C ATOM 1258 C LEU A1626 -9.691 40.243 5.812 1.00 44.94 C ATOM 1259 O LEU A1626 -10.714 40.138 6.515 1.00 42.86 O ATOM 1260 CB LEU A1626 -8.515 42.462 5.939 1.00 46.90 C ATOM 1261 CG LEU A1626 -9.739 43.231 6.455 1.00 54.14 C ATOM 1262 CD1 LEU A1626 -9.699 43.305 7.980 1.00 56.52 C ATOM 1263 CD2 LEU A1626 -9.857 44.617 5.820 1.00 58.35 C ATOM 1264 H LEU A1626 -6.532 40.892 5.421 1.00 0.00 H ATOM 1265 N GLU A1627 -9.609 39.753 4.563 1.00 40.93 N ATOM 1266 CA GLU A1627 -10.712 38.972 4.001 1.00 43.85 C ATOM 1267 C GLU A1627 -10.915 37.716 4.845 1.00 37.72 C ATOM 1268 O GLU A1627 -12.047 37.378 5.173 1.00 40.00 O ATOM 1269 CB GLU A1627 -10.524 38.535 2.537 1.00 50.88 C ATOM 1270 CG GLU A1627 -11.857 37.969 2.005 1.00 55.50 C ATOM 1271 CD GLU A1627 -11.811 36.762 1.068 1.00 57.93 C ATOM 1272 OE1 GLU A1627 -10.769 36.516 0.415 1.00 70.92 O ATOM 1273 OE2 GLU A1627 -12.868 36.096 0.916 1.00 60.43 O ATOM 1274 H GLU A1627 -8.757 39.930 3.993 1.00 0.00 H ATOM 1275 N GLU A1628 -9.814 37.031 5.148 1.00 38.20 N ATOM 1276 CA GLU A1628 -9.837 35.825 6.011 1.00 36.22 C ATOM 1277 C GLU A1628 -10.514 36.127 7.356 1.00 38.51 C ATOM 1278 O GLU A1628 -11.431 35.413 7.775 1.00 41.55 O ATOM 1279 CB GLU A1628 -8.423 35.269 6.223 1.00 45.70 C ATOM 1280 CG GLU A1628 -8.008 34.160 5.270 1.00 57.53 C ATOM 1281 CD GLU A1628 -8.825 32.889 5.479 1.00 72.07 C ATOM 1282 OE1 GLU A1628 -8.659 32.240 6.538 1.00 92.72 O ATOM 1283 OE2 GLU A1628 -9.641 32.541 4.589 1.00 70.75 O ATOM 1284 H GLU A1628 -8.903 37.354 4.765 1.00 0.00 H ATOM 1285 N ALA A1629 -10.097 37.200 8.020 1.00 39.41 N ATOM 1286 CA ALA A1629 -10.760 37.605 9.274 1.00 39.04 C ATOM 1287 C ALA A1629 -12.233 37.925 9.109 1.00 38.31 C ATOM 1288 O ALA A1629 -13.045 37.583 9.958 1.00 42.08 O ATOM 1289 CB ALA A1629 -10.041 38.781 9.914 1.00 41.27 C ATOM 1290 H ALA A1629 -9.299 37.757 7.654 1.00 0.00 H ATOM 1291 N GLU A1630 -12.592 38.591 8.018 1.00 40.11 N ATOM 1292 CA GLU A1630 -13.979 38.932 7.802 1.00 38.11 C ATOM 1293 C GLU A1630 -14.797 37.660 7.547 1.00 34.91 C ATOM 1294 O GLU A1630 -15.929 37.551 8.004 1.00 41.79 O ATOM 1295 CB GLU A1630 -14.098 39.944 6.657 1.00 43.98 C ATOM 1296 CG GLU A1630 -13.596 41.331 7.058 1.00 50.85 C ATOM 1297 CD GLU A1630 -13.581 42.353 5.925 1.00 64.33 C ATOM 1298 OE1 GLU A1630 -13.639 41.963 4.743 1.00 68.07 O ATOM 1299 OE2 GLU A1630 -13.486 43.560 6.229 1.00 62.74 O ATOM 1300 H GLU A1630 -11.874 38.867 7.318 1.00 0.00 H ATOM 1301 N LEU A1631 -14.211 36.701 6.825 1.00 38.55 N ATOM 1302 CA LEU A1631 -14.866 35.414 6.576 1.00 44.36 C ATOM 1303 C LEU A1631 -15.112 34.701 7.885 1.00 43.27 C ATOM 1304 O LEU A1631 -16.172 34.141 8.091 1.00 45.68 O ATOM 1305 CB LEU A1631 -14.031 34.511 5.662 1.00 50.00 C ATOM 1306 CG LEU A1631 -14.264 34.614 4.167 1.00 51.97 C ATOM 1307 CD1 LEU A1631 -13.312 33.652 3.466 1.00 53.55 C ATOM 1308 CD2 LEU A1631 -15.712 34.300 3.810 1.00 50.87 C ATOM 1309 H LEU A1631 -13.265 36.872 6.429 1.00 0.00 H ATOM 1310 N GLU A1632 -14.131 34.741 8.780 1.00 50.21 N ATOM 1311 CA GLU A1632 -14.259 34.061 10.065 1.00 45.97 C ATOM 1312 C GLU A1632 -15.317 34.734 10.951 1.00 46.80 C ATOM 1313 O GLU A1632 -16.054 34.046 11.656 1.00 52.69 O ATOM 1314 CB GLU A1632 -12.881 33.941 10.715 1.00 50.01 C ATOM 1315 CG GLU A1632 -11.990 32.951 9.940 1.00 58.66 C ATOM 1316 CD GLU A1632 -10.488 33.200 10.068 1.00 59.52 C ATOM 1317 OE1 GLU A1632 -10.078 33.956 10.972 1.00 71.53 O ATOM 1318 OE2 GLU A1632 -9.707 32.633 9.261 1.00 59.77 O ATOM 1319 H GLU A1632 -13.259 35.264 8.562 1.00 0.00 H ATOM 1320 N SER A1633 -15.439 36.058 10.860 1.00 42.52 N ATOM 1321 CA SER A1633 -16.515 36.799 11.542 1.00 46.02 C ATOM 1322 C SER A1633 -17.875 36.379 11.051 1.00 47.15 C ATOM 1323 O SER A1633 -18.837 36.419 11.811 1.00 46.79 O ATOM 1324 CB SER A1633 -16.387 38.310 11.332 1.00 53.87 C ATOM 1325 OG SER A1633 -15.259 38.801 12.014 1.00 66.99 O ATOM 1326 HG SER A1633 -14.446 38.355 11.668 1.00 0.00 H ATOM 1327 H SER A1633 -14.751 36.587 10.287 1.00 0.00 H ATOM 1328 N LEU A1634 -17.962 35.994 9.776 1.00 45.19 N ATOM 1329 CA LEU A1634 -19.246 35.599 9.179 1.00 42.80 C ATOM 1330 C LEU A1634 -19.728 34.218 9.626 1.00 42.27 C ATOM 1331 O LEU A1634 -20.923 33.919 9.492 1.00 43.87 O ATOM 1332 CB LEU A1634 -19.190 35.657 7.641 1.00 40.04 C ATOM 1333 CG LEU A1634 -19.189 37.070 7.052 1.00 42.68 C ATOM 1334 CD1 LEU A1634 -18.848 37.001 5.572 1.00 43.61 C ATOM 1335 CD2 LEU A1634 -20.513 37.796 7.242 1.00 40.73 C ATOM 1336 H LEU A1634 -17.102 35.973 9.192 1.00 0.00 H ATOM 1337 N ASP A1635 -18.814 33.385 10.135 1.00 46.87 N ATOM 1338 CA ASP A1635 -19.154 32.046 10.678 1.00 55.32 C ATOM 1339 C ASP A1635 -19.990 31.203 9.715 1.00 56.95 C ATOM 1340 O ASP A1635 -19.725 31.187 8.511 1.00 49.92 O ATOM 1341 CB ASP A1635 -19.880 32.166 12.030 1.00 69.12 C ATOM 1342 CG ASP A1635 -18.926 32.413 13.204 1.00 80.56 C ATOM 1343 OD1 ASP A1635 -17.763 31.951 13.158 1.00 91.39 O ATOM 1344 OD2 ASP A1635 -19.353 33.053 14.191 1.00 93.13 O ATOM 1345 H ASP A1635 -17.820 33.689 10.151 1.00 0.00 H TER 1346 ASP A1635 HETATM 1347 O HOH 1 15.538 80.306 12.670 1.00 45.63 O HETATM 1348 O HOH 2 17.576 80.767 10.007 1.00 47.02 O HETATM 1349 O HOH 3 3.550 62.520 7.291 1.00 51.30 O HETATM 1350 O HOH 4 19.066 57.648 14.774 1.00 43.32 O HETATM 1351 O HOH 5 23.743 71.592 3.930 1.00 42.76 O HETATM 1352 O HOH 6 12.286 73.087 11.677 1.00 31.96 O HETATM 1353 O HOH 7 2.021 60.052 9.854 1.00 60.73 O HETATM 1354 O HOH 8 15.862 66.688 21.382 1.00 42.06 O HETATM 1355 O HOH 9 -2.069 37.433 4.099 1.00 41.71 O HETATM 1356 O HOH 10 10.399 69.339 12.941 1.00 38.78 O HETATM 1357 O HOH 11 -7.839 35.884 2.044 1.00 42.17 O HETATM 1358 O HOH 12 20.630 51.758 8.072 1.00 49.45 O HETATM 1359 O HOH 13 24.006 62.139 1.016 1.00 49.48 O HETATM 1360 O HOH 14 3.512 59.306 6.764 1.00 48.97 O HETATM 1361 O HOH 15 0.060 47.888 3.115 1.00 49.33 O HETATM 1362 O HOH 16 6.571 81.834 18.617 1.00 50.25 O HETATM 1363 O HOH 17 3.683 40.363 1.665 1.00 47.28 O HETATM 1364 O HOH 18 15.067 51.980 11.859 1.00 43.58 O HETATM 1365 O HOH 19 19.546 67.140 15.641 1.00 33.72 O HETATM 1366 O HOH 20 -6.575 36.815 8.970 1.00 43.23 O HETATM 1367 O HOH 21 19.134 73.132 -0.899 1.00 44.82 O HETATM 1368 O HOH 22 13.412 68.665 12.052 1.00 35.02 O HETATM 1369 O HOH 23 7.638 74.692 22.219 1.00 44.21 O HETATM 1370 O HOH 24 20.941 74.526 15.648 1.00 30.85 O HETATM 1371 O HOH 25 8.919 76.329 26.119 1.00 54.96 O HETATM 1372 O HOH 26 15.078 68.317 14.082 1.00 32.63 O HETATM 1373 O HOH 27 4.229 61.788 11.316 1.00 53.76 O HETATM 1374 O HOH 28 4.036 65.896 4.552 1.00 32.22 O HETATM 1375 O HOH 29 17.562 68.546 16.591 1.00 40.14 O HETATM 1376 O HOH 30 1.667 48.484 1.232 1.00 36.35 O HETATM 1377 O HOH 31 3.742 70.391 18.633 1.00 44.36 O HETATM 1378 O HOH 32 -5.025 42.746 7.555 1.00 44.21 O HETATM 1379 O HOH 33 5.552 73.411 23.855 1.00 48.18 O HETATM 1380 O HOH 34 6.958 52.080 -9.589 1.00 52.74 O HETATM 1381 O HOH 35 1.553 62.676 -0.556 1.00 48.69 O HETATM 1382 O HOH 36 12.625 70.710 10.379 1.00 33.06 O HETATM 1383 O HOH 37 10.529 65.735 15.826 1.00 38.28 O HETATM 1384 O HOH 38 4.685 71.726 8.213 1.00 44.65 O HETATM 1385 O HOH 39 22.235 80.124 3.558 1.00 47.84 O HETATM 1386 O HOH 40 3.874 70.731 11.490 1.00 39.69 O HETATM 1387 O HOH 41 14.537 77.266 27.983 1.00 47.58 O HETATM 1388 O HOH 42 -2.527 42.221 -5.894 1.00 42.67 O HETATM 1389 O HOH 43 8.398 50.927 7.625 1.00 41.77 O HETATM 1390 O HOH 44 9.252 81.141 13.828 1.00 52.08 O HETATM 1391 O HOH 45 5.661 59.811 13.731 1.00 44.05 O HETATM 1392 O HOH 46 9.990 66.020 20.438 1.00 48.57 O HETATM 1393 O HOH 47 -10.223 34.532 2.609 1.00 49.26 O HETATM 1394 O HOH 48 12.995 83.291 4.480 1.00 40.52 O HETATM 1395 O HOH 49 14.837 48.486 -7.201 1.00 50.71 O HETATM 1396 O HOH 50 23.001 65.875 15.131 1.00 41.95 O HETATM 1397 O HOH 51 3.804 54.880 -2.677 1.00 37.02 O HETATM 1398 O HOH 52 7.595 47.957 6.435 1.00 57.25 O HETATM 1399 O HOH 53 1.128 41.805 -4.756 1.00 60.38 O HETATM 1400 O HOH 54 2.120 53.306 5.365 1.00 49.53 O HETATM 1401 O HOH 55 1.749 50.625 -10.360 1.00 49.43 O HETATM 1402 O HOH 56 12.298 68.938 23.708 1.00 37.80 O HETATM 1403 O HOH 57 14.551 75.289 -0.335 1.00 64.58 O HETATM 1404 O HOH 58 1.074 39.187 -1.166 1.00 53.98 O HETATM 1405 O HOH 59 20.290 81.027 7.909 1.00 43.59 O HETATM 1406 O HOH 60 11.594 68.161 15.976 1.00 42.06 O HETATM 1407 O HOH 61 21.289 58.371 -4.194 1.00 59.66 O HETATM 1408 O HOH 62 2.678 73.375 12.040 1.00 41.14 O HETATM 1409 O HOH 63 1.621 69.773 9.782 1.00 50.38 O HETATM 1410 O HOH 64 5.588 46.420 -9.136 1.00 50.10 O HETATM 1411 O HOH 65 17.751 68.326 27.490 1.00 50.06 O HETATM 1412 O HOH 66 20.730 67.334 -2.211 1.00 64.42 O HETATM 1413 O HOH 67 3.312 65.316 1.994 1.00 40.35 O HETATM 1414 O HOH 68 19.413 49.174 0.815 1.00 51.69 O HETATM 1415 O HOH 69 3.406 37.548 1.466 1.00 53.29 O HETATM 1416 O HOH 70 25.020 64.963 13.261 1.00 51.03 O HETATM 1417 O HOH 71 10.894 53.482 19.224 1.00 60.31 O HETATM 1418 O HOH 72 4.924 68.397 4.448 1.00 38.62 O HETATM 1419 O HOH 73 11.409 69.511 -2.157 1.00 43.93 O HETATM 1420 O HOH 74 2.658 56.550 -4.625 1.00 45.18 O HETATM 1421 O HOH 75 25.335 60.369 10.640 1.00 53.63 O HETATM 1422 O HOH 76 3.831 74.052 7.716 1.00 68.18 O HETATM 1423 O HOH 77 10.038 65.192 -10.867 1.00 62.30 O HETATM 1424 O HOH 78 4.267 67.600 19.035 1.00 57.07 O HETATM 1425 O HOH 79 3.235 67.717 0.580 1.00 43.30 O HETATM 1426 O HOH 80 9.182 65.047 18.022 1.00 47.94 O HETATM 1427 O HOH 81 23.733 55.718 11.478 1.00 66.05 O HETATM 1428 O HOH 82 11.489 64.484 21.998 1.00 52.77 O HETATM 1429 O HOH 83 3.472 70.222 6.070 1.00 46.16 O HETATM 1430 O HOH 84 -0.135 72.528 9.672 1.00 61.10 O HETATM 1431 O HOH 85 8.043 66.371 -13.450 1.00 63.78 O HETATM 1432 C1 UNN A 86 23.014 68.598 17.401 1.00 -0.05 C HETATM 1433 C2 UNN A 86 22.310 69.676 16.888 1.00 -0.04 C HETATM 1434 C3 UNN A 86 21.044 69.958 17.345 1.00 0.06 C HETATM 1435 C4 UNN A 86 20.453 69.151 18.347 1.00 0.01 C HETATM 1436 C10 UNN A 86 19.170 69.452 18.860 1.00 0.06 C HETATM 1437 C11 UNN A 86 18.594 68.630 19.801 1.00 -0.05 C HETATM 1438 C12 UNN A 86 19.264 67.512 20.269 1.00 -0.05 C HETATM 1439 C6 UNN A 86 20.527 67.193 19.827 1.00 -0.02 C HETATM 1440 C7 UNN A 86 21.229 65.973 20.385 1.00 -0.01 C HETATM 1441 C8 UNN A 86 20.341 65.082 21.279 1.00 -0.02 C HETATM 1442 C9 UNN A 86 20.967 63.731 21.494 1.00 0.05 C HETATM 1443 O UNN A 86 22.267 63.972 21.960 1.00 -0.39 O HETATM 1444 H16 UNN A 86 22.706 63.144 22.112 1.00 0.21 H HETATM 1445 H5 UNN A 86 20.999 63.171 20.548 1.00 0.06 H HETATM 1446 H6 UNN A 86 20.395 63.160 22.240 1.00 0.06 H HETATM 1447 H3 UNN A 86 20.205 65.574 22.254 1.00 0.03 H HETATM 1448 H4 UNN A 86 19.362 64.951 20.795 1.00 0.03 H HETATM 1449 H14 UNN A 86 21.587 65.366 19.541 1.00 0.05 H HETATM 1450 H15 UNN A 86 22.088 66.313 20.982 1.00 0.05 H HETATM 1451 C5 UNN A 86 21.154 68.026 18.846 1.00 -0.00 C HETATM 1452 C UNN A 86 22.459 67.782 18.349 1.00 -0.05 C HETATM 1453 H17 UNN A 86 23.025 66.937 18.725 1.00 0.07 H HETATM 1454 H8 UNN A 86 18.782 66.874 21.000 1.00 0.06 H HETATM 1455 H7 UNN A 86 17.605 68.860 20.180 1.00 0.07 H HETATM 1456 C13 UNN A 86 18.429 70.630 18.363 1.00 0.25 C HETATM 1457 N UNN A 86 19.027 71.350 17.319 1.00 -0.15 N HETATM 1458 C14 UNN A 86 18.217 72.339 16.665 1.00 0.07 C HETATM 1459 C15 UNN A 86 18.200 73.645 17.161 1.00 -0.04 C HETATM 1460 C16 UNN A 86 17.439 74.597 16.478 1.00 -0.06 C HETATM 1461 C17 UNN A 86 16.711 74.219 15.354 1.00 0.08 C HETATM 1462 C18 UNN A 86 16.731 72.910 14.899 1.00 0.08 C HETATM 1463 C19 UNN A 86 17.486 71.950 15.543 1.00 -0.03 C HETATM 1464 H10 UNN A 86 17.510 70.926 15.188 1.00 0.04 H HETATM 1465 N1 UNN A 86 15.901 72.844 13.775 1.00 -0.22 N HETATM 1466 C20 UNN A 86 15.353 74.089 13.524 1.00 0.31 C HETATM 1467 O1 UNN A 86 14.563 74.383 12.645 1.00 -0.40 O HETATM 1468 N2 UNN A 86 15.863 74.935 14.503 1.00 -0.22 N HETATM 1469 C21 UNN A 86 15.542 76.356 14.601 1.00 0.04 C HETATM 1470 H11 UNN A 86 16.073 76.794 15.459 1.00 0.05 H HETATM 1471 H12 UNN A 86 14.458 76.478 14.740 1.00 0.05 H HETATM 1472 H13 UNN A 86 15.853 76.867 13.678 1.00 0.05 H HETATM 1473 C22 UNN A 86 15.664 71.655 12.963 1.00 0.04 C HETATM 1474 H18 UNN A 86 16.220 70.805 13.386 1.00 0.05 H HETATM 1475 H19 UNN A 86 16.005 71.840 11.934 1.00 0.05 H HETATM 1476 H20 UNN A 86 14.589 71.423 12.957 1.00 0.05 H HETATM 1477 H9 UNN A 86 17.416 75.625 16.822 1.00 0.04 H HETATM 1478 C23 UNN A 86 18.930 74.027 18.424 1.00 -0.04 C HETATM 1479 H21 UNN A 86 19.470 73.152 18.814 1.00 0.03 H HETATM 1480 H22 UNN A 86 18.206 74.376 19.175 1.00 0.03 H HETATM 1481 H23 UNN A 86 19.647 74.832 18.204 1.00 0.03 H HETATM 1482 C24 UNN A 86 20.297 71.103 16.780 1.00 0.25 C HETATM 1483 O3 UNN A 86 20.727 71.796 15.871 1.00 -0.37 O HETATM 1484 O2 UNN A 86 17.381 71.018 18.860 1.00 -0.37 O HETATM 1485 H2 UNN A 86 22.759 70.299 16.123 1.00 0.07 H HETATM 1486 H1 UNN A 86 24.019 68.398 17.046 1.00 0.06 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1432 1433 1452 1486 CONECT 1433 1432 1434 1485 CONECT 1434 1433 1435 1482 CONECT 1435 1434 1436 1451 CONECT 1436 1435 1437 1456 CONECT 1437 1436 1438 1455 CONECT 1438 1437 1439 1454 CONECT 1439 1438 1440 1451 CONECT 1440 1439 1441 1449 1450 CONECT 1441 1440 1442 1447 1448 CONECT 1442 1441 1443 1445 1446 CONECT 1443 1442 1444 CONECT 1444 1443 CONECT 1445 1442 CONECT 1446 1442 CONECT 1447 1441 CONECT 1448 1441 CONECT 1449 1440 CONECT 1450 1440 CONECT 1451 1435 1439 1452 CONECT 1452 1432 1451 1453 CONECT 1453 1452 CONECT 1454 1438 CONECT 1455 1437 CONECT 1456 1436 1457 1484 CONECT 1457 1456 1458 1482 CONECT 1458 1457 1459 1463 CONECT 1459 1458 1460 1478 CONECT 1460 1459 1461 1477 CONECT 1461 1460 1462 1468 CONECT 1462 1461 1463 1465 CONECT 1463 1458 1462 1464 CONECT 1464 1463 CONECT 1465 1462 1466 1473 CONECT 1466 1465 1467 1468 CONECT 1467 1466 CONECT 1468 1461 1466 1469 CONECT 1469 1468 1470 1471 1472 CONECT 1470 1469 CONECT 1471 1469 CONECT 1472 1469 CONECT 1473 1465 1474 1475 1476 CONECT 1474 1473 CONECT 1475 1473 CONECT 1476 1473 CONECT 1477 1460 CONECT 1478 1459 1479 1480 1481 CONECT 1479 1478 CONECT 1480 1478 CONECT 1481 1478 CONECT 1482 1434 1457 1483 CONECT 1483 1482 CONECT 1484 1456 CONECT 1485 1433 CONECT 1486 1432 MASTER 0 0 0 0 0 0 0 0 1485 1 59 11 END
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Structure:
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Related entries of code: 5mg2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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PDBbind
144aa, >5I1Q_1|Chain... at 100%
5i29
RCSB PDB
PDBbind
144aa, >5I29_1|Chain... at 100%
6df4
RCSB PDB
PDBbind
167aa, >6DF4_1|Chain... *
6df7
RCSB PDB
PDBbind
167aa, >6DF7_1|Chains... at 100%
6bqd
RCSB PDB
PDBbind
130aa, >6BQD_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5mg2
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Transcription initiation factor TFIID subunit 1
Ligand Name
7M8
EC.Number
E.C.2.3.1.48; 2.7.11.1
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
Kd=17nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 4002-4022
Ligand Properties
Formula
C
2
5
H
2
3
N
3
O
4
Molecular Weight
429.468
Exact Mass
429.169
No. of atoms
55
No. of bonds
59
Polar Surface Area
86.23
LOGP Value
3.01 (
Computed with XLOGP3
)
2.37 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 5
Canonical SMILES
OCCCc1ccc2c3c1cccc3c(=O)n(c2=O)c1cc2c(cc1C)n(c(=O)n2C)C
InChI String
InChI=1S/C25H23N3O4/c1-14-12-20-21(27(3)25(32)26(20)2)13-19(14)28-23(30)17-8-4-7-16-15(6-5-11-29)9-10-18(22(16)17)24(28)31/h4,7-10,12-13,29H,5-6,11H2,1-3H3
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):
P21675
Entrez Gene ID
NCBI Entrez Gene ID:
6872
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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