Browse entries in the PDBbind-CN Database
HEADER 6BQD_COMPLEX COMPND 6BQD_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 129 ASP ASP ASP GLN VAL ALA PHE SER PHE ILE LEU ASP ASN SEQRES 2 A 129 ILE VAL THR GLN LYS MET MET ALA VAL PRO ASP SER TRP SEQRES 3 A 129 PRO PHE HIS HIS PRO VAL ASN LYS LYS PHE VAL PRO ASP SEQRES 4 A 129 TYR TYR LYS VAL ILE VAL ASN PRO MET ASP LEU GLU THR SEQRES 5 A 129 ILE ARG LYS ASN ILE SER LYS HIS LYS TYR GLN SER ARG SEQRES 6 A 129 GLU SER PHE LEU ASP ASP VAL ASN LEU ILE LEU ALA ASN SEQRES 7 A 129 SER VAL LYS TYR ASN GLY PRO GLU SER GLN TYR THR LYS SEQRES 8 A 129 THR ALA GLN GLU ILE VAL ASN VAL CYS TYR GLN THR LEU SEQRES 9 A 129 THR GLU TYR ASP GLU HIS LEU THR GLN LEU GLU LYS ASP SEQRES 10 A 129 ILE CYS THR ALA LYS GLU ALA ALA LEU GLU GLU ALA HET MOL A 157 46 ATOM 1 N ASP A1501 39.361 5.207 79.610 1.00 76.30 N ATOM 2 CA ASP A1501 37.895 5.279 79.841 1.00 74.49 C ATOM 3 C ASP A1501 37.092 5.434 78.513 1.00 68.68 C ATOM 4 O ASP A1501 35.870 5.666 78.507 1.00 65.40 O ATOM 5 CB ASP A1501 37.595 6.454 80.802 1.00 78.88 C ATOM 6 CG ASP A1501 36.206 6.389 81.453 1.00 82.43 C ATOM 7 OD1 ASP A1501 35.876 5.367 82.113 1.00 86.67 O ATOM 8 OD2 ASP A1501 35.456 7.393 81.342 1.00 82.83 O ATOM 9 HN3 ASP A1501 39.680 6.078 79.140 1.00 0.00 H ATOM 10 HN2 ASP A1501 39.576 4.388 79.006 1.00 0.00 H ATOM 11 HN1 ASP A1501 39.850 5.104 80.522 1.00 0.00 H ATOM 12 N ASP A1502 37.749 5.311 77.369 1.00 66.46 N ATOM 13 CA ASP A1502 37.085 5.829 76.178 1.00 63.84 C ATOM 14 C ASP A1502 36.159 4.834 75.479 1.00 57.92 C ATOM 15 O ASP A1502 35.181 5.271 74.862 1.00 53.94 O ATOM 16 CB ASP A1502 38.108 6.365 75.207 1.00 67.52 C ATOM 17 CG ASP A1502 39.294 5.526 75.165 1.00 73.11 C ATOM 18 OD1 ASP A1502 39.096 4.346 74.829 1.00 73.86 O ATOM 19 OD2 ASP A1502 40.395 6.025 75.493 1.00 78.68 O ATOM 20 H ASP A1502 38.689 4.868 77.323 1.00 0.00 H ATOM 21 N ASP A1503 36.388 3.521 75.583 1.00 56.21 N ATOM 22 CA ASP A1503 35.354 2.604 75.105 1.00 54.68 C ATOM 23 C ASP A1503 34.053 2.782 75.896 1.00 49.85 C ATOM 24 O ASP A1503 32.956 2.718 75.327 1.00 46.76 O ATOM 25 CB ASP A1503 35.864 1.168 75.151 1.00 57.39 C ATOM 26 CG ASP A1503 36.495 0.719 73.813 1.00 61.27 C ATOM 27 OD1 ASP A1503 36.381 1.411 72.751 1.00 60.29 O ATOM 28 OD2 ASP A1503 37.122 -0.358 73.831 1.00 65.23 O ATOM 29 H ASP A1503 37.275 3.163 75.992 1.00 0.00 H ATOM 30 N GLN A1504 34.156 3.061 77.195 1.00 49.26 N ATOM 31 CA GLN A1504 32.975 3.398 77.996 1.00 47.38 C ATOM 32 C GLN A1504 32.314 4.689 77.505 1.00 45.60 C ATOM 33 O GLN A1504 31.073 4.780 77.436 1.00 42.24 O ATOM 34 CB GLN A1504 33.354 3.524 79.478 1.00 49.98 C ATOM 35 CG GLN A1504 32.194 4.008 80.371 1.00 50.15 C ATOM 36 CD GLN A1504 31.064 3.006 80.471 1.00 50.37 C ATOM 37 OE1 GLN A1504 31.246 1.898 80.976 1.00 51.35 O ATOM 38 NE2 GLN A1504 29.885 3.388 79.986 1.00 49.01 N ATOM 39 HE22 GLN A1504 29.777 4.334 79.568 1.00 0.00 H ATOM 40 HE21 GLN A1504 29.072 2.740 80.025 1.00 0.00 H ATOM 41 H GLN A1504 35.091 3.039 77.649 1.00 0.00 H ATOM 42 N VAL A1505 33.122 5.698 77.149 1.00 44.53 N ATOM 43 CA VAL A1505 32.553 6.953 76.648 1.00 43.96 C ATOM 44 C VAL A1505 31.770 6.709 75.352 1.00 43.01 C ATOM 45 O VAL A1505 30.618 7.151 75.208 1.00 40.82 O ATOM 46 CB VAL A1505 33.655 8.014 76.478 1.00 44.97 C ATOM 47 CG1 VAL A1505 33.227 9.151 75.557 1.00 43.65 C ATOM 48 CG2 VAL A1505 34.097 8.543 77.874 1.00 45.20 C ATOM 49 H VAL A1505 34.153 5.590 77.228 1.00 0.00 H ATOM 50 N ALA A1506 32.377 5.982 74.401 1.00 43.60 N ATOM 51 CA ALA A1506 31.702 5.651 73.144 1.00 43.37 C ATOM 52 C ALA A1506 30.425 4.862 73.393 1.00 42.55 C ATOM 53 O ALA A1506 29.380 5.132 72.775 1.00 41.46 O ATOM 54 CB ALA A1506 32.644 4.857 72.236 1.00 44.97 C ATOM 55 H ALA A1506 33.348 5.646 74.560 1.00 0.00 H ATOM 56 N PHE A1507 30.501 3.876 74.292 1.00 42.40 N ATOM 57 CA PHE A1507 29.346 3.059 74.644 1.00 41.83 C ATOM 58 C PHE A1507 28.200 3.914 75.175 1.00 40.14 C ATOM 59 O PHE A1507 27.058 3.806 74.698 1.00 36.81 O ATOM 60 CB PHE A1507 29.765 1.993 75.667 1.00 43.36 C ATOM 61 CG PHE A1507 28.654 1.099 76.094 1.00 44.13 C ATOM 62 CD1 PHE A1507 28.211 0.078 75.267 1.00 44.72 C ATOM 63 CD2 PHE A1507 28.054 1.257 77.338 1.00 43.94 C ATOM 64 CE1 PHE A1507 27.184 -0.763 75.667 1.00 43.77 C ATOM 65 CE2 PHE A1507 27.022 0.410 77.745 1.00 43.67 C ATOM 66 CZ PHE A1507 26.593 -0.596 76.903 1.00 43.36 C ATOM 67 H PHE A1507 31.413 3.686 74.755 1.00 0.00 H ATOM 68 N SER A1508 28.487 4.778 76.163 1.00 40.41 N ATOM 69 CA SER A1508 27.457 5.666 76.716 1.00 42.07 C ATOM 70 C SER A1508 26.863 6.568 75.640 1.00 43.09 C ATOM 71 O SER A1508 25.642 6.814 75.612 1.00 41.11 O ATOM 72 CB SER A1508 28.043 6.524 77.845 1.00 40.90 C ATOM 73 OG SER A1508 28.407 5.729 78.960 1.00 42.20 O ATOM 74 HG SER A1508 28.781 6.309 79.670 1.00 0.00 H ATOM 75 H SER A1508 29.455 4.818 76.542 1.00 0.00 H ATOM 76 N PHE A1509 27.722 7.077 74.760 1.00 45.99 N ATOM 77 CA PHE A1509 27.292 7.901 73.641 1.00 49.41 C ATOM 78 C PHE A1509 26.203 7.201 72.837 1.00 44.66 C ATOM 79 O PHE A1509 25.206 7.815 72.456 1.00 41.83 O ATOM 80 CB PHE A1509 28.502 8.208 72.767 1.00 56.90 C ATOM 81 CG PHE A1509 28.208 9.097 71.594 1.00 63.44 C ATOM 82 CD1 PHE A1509 27.459 8.637 70.512 1.00 65.73 C ATOM 83 CD2 PHE A1509 28.720 10.390 71.542 1.00 68.80 C ATOM 84 CE1 PHE A1509 27.182 9.457 69.412 1.00 67.47 C ATOM 85 CE2 PHE A1509 28.458 11.220 70.434 1.00 68.80 C ATOM 86 CZ PHE A1509 27.682 10.744 69.375 1.00 68.59 C ATOM 87 H PHE A1509 28.736 6.879 74.876 1.00 0.00 H ATOM 88 N ILE A1510 26.412 5.923 72.523 1.00 43.63 N ATOM 89 CA ILE A1510 25.470 5.189 71.694 1.00 42.06 C ATOM 90 C ILE A1510 24.153 5.012 72.431 1.00 41.09 C ATOM 91 O ILE A1510 23.085 5.353 71.914 1.00 39.61 O ATOM 92 CB ILE A1510 26.071 3.836 71.300 1.00 43.14 C ATOM 93 CG1 ILE A1510 27.289 4.064 70.389 1.00 44.85 C ATOM 94 CG2 ILE A1510 25.009 2.973 70.634 1.00 41.62 C ATOM 95 CD1 ILE A1510 28.136 2.829 70.187 1.00 45.51 C ATOM 96 H ILE A1510 27.264 5.442 72.877 1.00 0.00 H ATOM 97 N LEU A1511 24.220 4.510 73.671 1.00 39.89 N ATOM 98 CA LEU A1511 23.030 4.387 74.505 1.00 38.67 C ATOM 99 C LEU A1511 22.255 5.694 74.530 1.00 38.77 C ATOM 100 O LEU A1511 21.024 5.711 74.354 1.00 35.54 O ATOM 101 CB LEU A1511 23.420 3.977 75.929 1.00 38.39 C ATOM 102 CG LEU A1511 23.968 2.567 76.152 1.00 38.84 C ATOM 103 CD1 LEU A1511 24.134 2.404 77.634 1.00 38.93 C ATOM 104 CD2 LEU A1511 23.009 1.502 75.624 1.00 39.01 C ATOM 105 H LEU A1511 25.139 4.202 74.047 1.00 0.00 H ATOM 106 N ASP A1512 22.963 6.810 74.742 1.00 38.93 N ATOM 107 CA ASP A1512 22.266 8.084 74.820 1.00 41.47 C ATOM 108 C ASP A1512 21.577 8.404 73.499 1.00 42.00 C ATOM 109 O ASP A1512 20.478 8.974 73.485 1.00 39.08 O ATOM 110 CB ASP A1512 23.216 9.217 75.211 1.00 44.77 C ATOM 111 CG ASP A1512 22.451 10.490 75.588 1.00 46.85 C ATOM 112 OD1 ASP A1512 21.771 10.494 76.640 1.00 47.26 O ATOM 113 OD2 ASP A1512 22.458 11.461 74.810 1.00 47.92 O ATOM 114 H ASP A1512 23.997 6.767 74.849 1.00 0.00 H ATOM 115 N ASN A1513 22.216 8.065 72.377 1.00 43.47 N ATOM 116 CA ASN A1513 21.605 8.333 71.077 1.00 46.78 C ATOM 117 C ASN A1513 20.357 7.468 70.858 1.00 43.28 C ATOM 118 O ASN A1513 19.366 7.927 70.273 1.00 41.90 O ATOM 119 CB ASN A1513 22.633 8.097 69.979 1.00 53.49 C ATOM 120 CG ASN A1513 22.228 8.727 68.665 1.00 60.95 C ATOM 121 OD1 ASN A1513 22.080 9.957 68.565 1.00 67.62 O ATOM 122 ND2 ASN A1513 22.061 7.896 67.639 1.00 60.47 N ATOM 123 HD22 ASN A1513 22.196 6.873 67.771 1.00 0.00 H ATOM 124 HD21 ASN A1513 21.796 8.269 66.705 1.00 0.00 H ATOM 125 H ASN A1513 23.150 7.610 72.428 1.00 0.00 H ATOM 126 N ILE A1514 20.378 6.219 71.335 1.00 41.07 N ATOM 127 CA ILE A1514 19.171 5.394 71.320 1.00 39.10 C ATOM 128 C ILE A1514 18.045 6.076 72.087 1.00 38.61 C ATOM 129 O ILE A1514 16.897 6.118 71.617 1.00 39.02 O ATOM 130 CB ILE A1514 19.448 3.995 71.896 1.00 38.60 C ATOM 131 CG1 ILE A1514 20.457 3.239 71.027 1.00 37.84 C ATOM 132 CG2 ILE A1514 18.103 3.204 72.069 1.00 36.72 C ATOM 133 CD1 ILE A1514 20.625 1.774 71.503 1.00 37.40 C ATOM 134 H ILE A1514 21.262 5.830 71.721 1.00 0.00 H ATOM 135 N VAL A1515 18.345 6.596 73.285 1.00 37.42 N ATOM 136 CA VAL A1515 17.298 7.182 74.131 1.00 38.11 C ATOM 137 C VAL A1515 16.696 8.418 73.470 1.00 39.29 C ATOM 138 O VAL A1515 15.467 8.555 73.404 1.00 37.15 O ATOM 139 CB VAL A1515 17.838 7.516 75.533 1.00 38.68 C ATOM 140 CG1 VAL A1515 16.766 8.223 76.359 1.00 38.59 C ATOM 141 CG2 VAL A1515 18.274 6.258 76.242 1.00 38.16 C ATOM 142 H VAL A1515 19.330 6.584 73.619 1.00 0.00 H ATOM 143 N THR A1516 17.553 9.332 72.962 1.00 39.26 N ATOM 144 CA THR A1516 17.061 10.578 72.362 1.00 40.74 C ATOM 145 C THR A1516 16.449 10.341 70.987 1.00 41.20 C ATOM 146 O THR A1516 15.349 10.817 70.721 1.00 40.96 O ATOM 147 CB THR A1516 18.159 11.652 72.271 1.00 42.45 C ATOM 148 OG1 THR A1516 19.257 11.160 71.504 1.00 43.02 O ATOM 149 CG2 THR A1516 18.642 12.040 73.657 1.00 42.24 C ATOM 150 HG1 THR A1516 19.959 11.856 71.450 1.00 0.00 H ATOM 151 H THR A1516 18.576 9.150 72.997 1.00 0.00 H ATOM 152 N GLN A1517 17.112 9.576 70.110 1.00 41.88 N ATOM 153 CA GLN A1517 16.643 9.464 68.731 1.00 43.27 C ATOM 154 C GLN A1517 15.552 8.410 68.517 1.00 41.61 C ATOM 155 O GLN A1517 14.825 8.514 67.532 1.00 41.93 O ATOM 156 CB GLN A1517 17.813 9.154 67.778 1.00 47.86 C ATOM 157 CG GLN A1517 18.988 10.153 67.844 1.00 52.19 C ATOM 158 CD GLN A1517 18.539 11.585 67.569 1.00 55.58 C ATOM 159 OE1 GLN A1517 17.965 11.865 66.512 1.00 57.79 O ATOM 160 NE2 GLN A1517 18.764 12.491 68.538 1.00 56.40 N ATOM 161 HE22 GLN A1517 19.252 12.208 69.412 1.00 0.00 H ATOM 162 HE21 GLN A1517 18.450 13.475 68.413 1.00 0.00 H ATOM 163 H GLN A1517 17.963 9.060 70.412 1.00 0.00 H ATOM 164 N LYS A1518 15.434 7.384 69.373 1.00 37.90 N ATOM 165 CA LYS A1518 14.446 6.334 69.179 1.00 38.47 C ATOM 166 C LYS A1518 13.355 6.382 70.235 1.00 37.51 C ATOM 167 O LYS A1518 12.160 6.478 69.929 1.00 36.82 O ATOM 168 CB LYS A1518 15.120 4.962 69.208 1.00 39.07 C ATOM 169 CG LYS A1518 16.240 4.843 68.223 1.00 41.12 C ATOM 170 CD LYS A1518 15.705 4.884 66.844 1.00 42.66 C ATOM 171 CE LYS A1518 16.865 5.017 65.867 1.00 44.47 C ATOM 172 NZ LYS A1518 16.365 4.451 64.602 1.00 45.86 N ATOM 173 HZ1 LYS A1518 16.099 3.456 64.750 1.00 0.00 H ATOM 174 HZ2 LYS A1518 15.533 4.990 64.287 1.00 0.00 H ATOM 175 HZ3 LYS A1518 17.111 4.508 63.879 1.00 0.00 H ATOM 176 H LYS A1518 16.066 7.338 70.198 1.00 0.00 H ATOM 177 N MET A1519 13.756 6.307 71.492 1.00 35.95 N ATOM 178 CA MET A1519 12.813 6.128 72.572 1.00 37.47 C ATOM 179 C MET A1519 12.016 7.398 72.833 1.00 37.77 C ATOM 180 O MET A1519 10.795 7.340 73.034 1.00 34.95 O ATOM 181 CB MET A1519 13.589 5.676 73.801 1.00 39.40 C ATOM 182 CG MET A1519 14.220 4.302 73.578 1.00 41.79 C ATOM 183 SD MET A1519 15.367 3.774 74.859 1.00 46.97 S ATOM 184 CE MET A1519 14.317 3.706 76.289 1.00 45.05 C ATOM 185 H MET A1519 14.771 6.378 71.708 1.00 0.00 H ATOM 186 N MET A1520 12.685 8.562 72.848 1.00 38.16 N ATOM 187 CA MET A1520 11.949 9.798 73.079 1.00 40.09 C ATOM 188 C MET A1520 11.153 10.209 71.853 1.00 39.66 C ATOM 189 O MET A1520 10.217 10.997 71.972 1.00 39.39 O ATOM 190 CB MET A1520 12.897 10.923 73.515 1.00 43.72 C ATOM 191 CG MET A1520 13.250 10.855 75.004 1.00 47.04 C ATOM 192 SD MET A1520 14.557 11.986 75.521 1.00 51.67 S ATOM 193 CE MET A1520 13.636 13.531 75.642 1.00 54.15 C ATOM 194 H MET A1520 13.714 8.581 72.697 1.00 0.00 H ATOM 195 N ALA A1521 11.467 9.655 70.689 1.00 37.89 N ATOM 196 CA ALA A1521 10.755 10.033 69.491 1.00 38.26 C ATOM 197 C ALA A1521 9.459 9.246 69.330 1.00 37.12 C ATOM 198 O ALA A1521 8.725 9.492 68.382 1.00 36.77 O ATOM 199 CB ALA A1521 11.674 9.852 68.265 1.00 37.87 C ATOM 200 H ALA A1521 12.227 8.947 70.639 1.00 0.00 H ATOM 201 N VAL A1522 9.169 8.307 70.230 1.00 36.96 N ATOM 202 CA VAL A1522 7.915 7.541 70.141 1.00 34.42 C ATOM 203 C VAL A1522 6.751 8.510 70.318 1.00 38.06 C ATOM 204 O VAL A1522 6.796 9.380 71.221 1.00 37.19 O ATOM 205 CB VAL A1522 7.891 6.414 71.215 1.00 33.68 C ATOM 206 CG1 VAL A1522 6.453 5.903 71.530 1.00 32.89 C ATOM 207 CG2 VAL A1522 8.741 5.283 70.760 1.00 32.70 C ATOM 208 H VAL A1522 9.836 8.113 71.004 1.00 0.00 H ATOM 209 N PRO A1523 5.701 8.439 69.496 1.00 40.28 N ATOM 210 CA PRO A1523 4.597 9.403 69.636 1.00 41.24 C ATOM 211 C PRO A1523 3.952 9.331 71.020 1.00 40.71 C ATOM 212 O PRO A1523 3.744 8.256 71.576 1.00 40.14 O ATOM 213 CB PRO A1523 3.612 9.007 68.517 1.00 41.64 C ATOM 214 CG PRO A1523 4.052 7.635 68.033 1.00 42.08 C ATOM 215 CD PRO A1523 5.542 7.531 68.346 1.00 39.78 C ATOM 216 N ASP A1524 3.655 10.500 71.595 1.00 43.06 N ATOM 217 CA ASP A1524 3.002 10.574 72.911 1.00 43.95 C ATOM 218 C ASP A1524 3.843 9.923 73.994 1.00 40.20 C ATOM 219 O ASP A1524 3.312 9.453 75.004 1.00 38.97 O ATOM 220 CB ASP A1524 1.609 9.932 72.900 1.00 49.67 C ATOM 221 CG ASP A1524 0.670 10.558 71.842 1.00 56.50 C ATOM 222 OD1 ASP A1524 0.643 11.812 71.716 1.00 56.95 O ATOM 223 OD2 ASP A1524 -0.036 9.781 71.130 1.00 62.04 O ATOM 224 H ASP A1524 3.892 11.382 71.098 1.00 0.00 H ATOM 225 N SER A1525 5.169 9.900 73.825 1.00 37.44 N ATOM 226 CA SER A1525 5.962 9.360 74.919 1.00 34.89 C ATOM 227 C SER A1525 6.211 10.377 76.027 1.00 34.91 C ATOM 228 O SER A1525 6.832 10.010 77.024 1.00 35.23 O ATOM 229 CB SER A1525 7.302 8.815 74.390 1.00 34.36 C ATOM 230 OG SER A1525 7.990 9.815 73.664 1.00 33.75 O ATOM 231 HG SER A1525 7.435 10.106 72.898 1.00 0.00 H ATOM 232 H SER A1525 5.613 10.252 72.953 1.00 0.00 H ATOM 233 N TRP A1526 5.732 11.647 75.897 1.00 34.93 N ATOM 234 CA TRP A1526 6.083 12.710 76.854 1.00 35.91 C ATOM 235 C TRP A1526 5.858 12.292 78.316 1.00 35.54 C ATOM 236 O TRP A1526 6.632 12.707 79.174 1.00 35.53 O ATOM 237 CB TRP A1526 5.340 14.035 76.536 1.00 36.06 C ATOM 238 CG TRP A1526 3.828 13.961 76.617 1.00 36.50 C ATOM 239 CD1 TRP A1526 2.955 13.794 75.571 1.00 37.51 C ATOM 240 CD2 TRP A1526 3.012 14.034 77.806 1.00 37.01 C ATOM 241 NE1 TRP A1526 1.648 13.743 76.044 1.00 38.10 N ATOM 242 CE2 TRP A1526 1.662 13.890 77.406 1.00 38.02 C ATOM 243 CE3 TRP A1526 3.288 14.204 79.161 1.00 37.69 C ATOM 244 CZ2 TRP A1526 0.612 13.896 78.321 1.00 38.95 C ATOM 245 CZ3 TRP A1526 2.234 14.209 80.068 1.00 38.84 C ATOM 246 CH2 TRP A1526 0.923 14.061 79.646 1.00 39.44 C ATOM 247 HE1 TRP A1526 0.798 13.614 75.459 1.00 0.00 H ATOM 248 H TRP A1526 5.102 11.871 75.101 1.00 0.00 H ATOM 249 N PRO A1527 4.867 11.451 78.658 1.00 34.75 N ATOM 250 CA PRO A1527 4.699 11.079 80.076 1.00 34.49 C ATOM 251 C PRO A1527 5.884 10.347 80.671 1.00 34.46 C ATOM 252 O PRO A1527 5.961 10.269 81.899 1.00 34.33 O ATOM 253 CB PRO A1527 3.458 10.175 80.061 1.00 35.15 C ATOM 254 CG PRO A1527 2.738 10.551 78.834 1.00 35.49 C ATOM 255 CD PRO A1527 3.841 10.815 77.830 1.00 34.18 C ATOM 256 N PHE A1528 6.790 9.794 79.847 1.00 33.42 N ATOM 257 CA PHE A1528 7.921 8.988 80.300 1.00 33.23 C ATOM 258 C PHE A1528 9.236 9.734 80.198 1.00 33.81 C ATOM 259 O PHE A1528 10.273 9.156 80.512 1.00 33.39 O ATOM 260 CB PHE A1528 8.017 7.661 79.488 1.00 32.10 C ATOM 261 CG PHE A1528 6.774 6.846 79.566 1.00 32.59 C ATOM 262 CD1 PHE A1528 6.542 6.031 80.648 1.00 32.48 C ATOM 263 CD2 PHE A1528 5.789 6.964 78.593 1.00 32.04 C ATOM 264 CE1 PHE A1528 5.357 5.308 80.760 1.00 32.90 C ATOM 265 CE2 PHE A1528 4.591 6.235 78.676 1.00 32.90 C ATOM 266 CZ PHE A1528 4.371 5.405 79.739 1.00 33.20 C ATOM 267 H PHE A1528 6.679 9.949 78.825 1.00 0.00 H ATOM 268 N HIS A1529 9.217 11.010 79.791 1.00 35.02 N ATOM 269 CA HIS A1529 10.457 11.749 79.605 1.00 37.65 C ATOM 270 C HIS A1529 11.098 12.122 80.931 1.00 39.17 C ATOM 271 O HIS A1529 12.327 12.155 81.019 1.00 38.89 O ATOM 272 CB HIS A1529 10.201 12.996 78.756 1.00 38.73 C ATOM 273 CG HIS A1529 9.909 12.685 77.314 1.00 40.10 C ATOM 274 ND1 HIS A1529 9.896 13.651 76.329 1.00 40.19 N ATOM 275 CD2 HIS A1529 9.615 11.510 76.695 1.00 39.55 C ATOM 276 CE1 HIS A1529 9.644 13.084 75.162 1.00 40.39 C ATOM 277 NE2 HIS A1529 9.455 11.787 75.357 1.00 40.75 N ATOM 278 H HIS A1529 8.307 11.478 79.606 1.00 0.00 H ATOM 279 N HIS A1530 10.300 12.366 81.969 1.00 38.85 N ATOM 280 CA HIS A1530 10.762 12.966 83.210 1.00 39.75 C ATOM 281 C HIS A1530 10.119 12.256 84.391 1.00 37.92 C ATOM 282 O HIS A1530 9.032 11.691 84.251 1.00 37.56 O ATOM 283 CB HIS A1530 10.416 14.464 83.252 1.00 40.76 C ATOM 284 CG HIS A1530 10.868 15.210 82.029 1.00 42.60 C ATOM 285 ND1 HIS A1530 12.185 15.568 81.820 1.00 41.52 N ATOM 286 CD2 HIS A1530 10.187 15.622 80.932 1.00 41.72 C ATOM 287 CE1 HIS A1530 12.291 16.187 80.658 1.00 42.25 C ATOM 288 NE2 HIS A1530 11.094 16.240 80.101 1.00 42.81 N ATOM 289 H HIS A1530 9.294 12.114 81.888 1.00 0.00 H ATOM 290 N PRO A1531 10.745 12.306 85.575 1.00 39.19 N ATOM 291 CA PRO A1531 10.113 11.748 86.775 1.00 39.27 C ATOM 292 C PRO A1531 8.709 12.312 86.984 1.00 40.96 C ATOM 293 O PRO A1531 8.398 13.437 86.591 1.00 41.25 O ATOM 294 CB PRO A1531 11.052 12.181 87.901 1.00 41.12 C ATOM 295 CG PRO A1531 12.340 12.665 87.210 1.00 40.47 C ATOM 296 CD PRO A1531 11.924 13.145 85.889 1.00 39.73 C ATOM 297 N VAL A1532 7.840 11.506 87.575 1.00 42.01 N ATOM 298 CA VAL A1532 6.495 11.974 87.844 1.00 42.32 C ATOM 299 C VAL A1532 6.552 13.097 88.874 1.00 44.62 C ATOM 300 O VAL A1532 7.321 13.051 89.840 1.00 45.30 O ATOM 301 CB VAL A1532 5.615 10.821 88.336 1.00 42.64 C ATOM 302 CG1 VAL A1532 4.310 11.367 88.897 1.00 43.71 C ATOM 303 CG2 VAL A1532 5.342 9.827 87.188 1.00 41.78 C ATOM 304 H VAL A1532 8.121 10.542 87.845 1.00 0.00 H ATOM 305 N ASN A1533 5.750 14.123 88.661 1.00 45.77 N ATOM 306 CA ASN A1533 5.508 15.129 89.682 1.00 47.35 C ATOM 307 C ASN A1533 4.255 14.716 90.452 1.00 48.04 C ATOM 308 O ASN A1533 3.174 14.546 89.871 1.00 47.40 O ATOM 309 CB ASN A1533 5.380 16.520 89.047 1.00 47.57 C ATOM 310 CG ASN A1533 5.259 17.629 90.074 1.00 49.51 C ATOM 311 OD1 ASN A1533 4.688 17.439 91.153 1.00 51.04 O ATOM 312 ND2 ASN A1533 5.800 18.798 89.751 1.00 50.36 N ATOM 313 HD22 ASN A1533 6.272 18.916 88.832 1.00 0.00 H ATOM 314 HD21 ASN A1533 5.752 19.595 90.417 1.00 0.00 H ATOM 315 H ASN A1533 5.279 14.214 87.738 1.00 0.00 H ATOM 316 N LYS A1534 4.409 14.502 91.752 1.00 49.76 N ATOM 317 CA LYS A1534 3.287 14.050 92.562 1.00 52.74 C ATOM 318 C LYS A1534 2.089 15.012 92.483 1.00 53.40 C ATOM 319 O LYS A1534 0.942 14.581 92.610 1.00 52.73 O ATOM 320 CB LYS A1534 3.796 13.861 93.986 1.00 57.01 C ATOM 321 CG LYS A1534 2.801 13.538 95.042 1.00 61.38 C ATOM 322 CD LYS A1534 3.476 13.717 96.391 1.00 65.51 C ATOM 323 CE LYS A1534 2.562 13.346 97.551 1.00 69.12 C ATOM 324 NZ LYS A1534 3.250 13.656 98.840 1.00 72.27 N ATOM 325 HZ1 LYS A1534 4.132 13.108 98.902 1.00 0.00 H ATOM 326 HZ2 LYS A1534 3.469 14.672 98.879 1.00 0.00 H ATOM 327 HZ3 LYS A1534 2.627 13.403 99.634 1.00 0.00 H ATOM 328 H LYS A1534 5.337 14.658 92.195 1.00 0.00 H ATOM 329 N LYS A1535 2.323 16.307 92.238 1.00 53.93 N ATOM 330 CA LYS A1535 1.211 17.228 91.994 1.00 56.16 C ATOM 331 C LYS A1535 0.281 16.697 90.914 1.00 53.16 C ATOM 332 O LYS A1535 -0.942 16.795 91.028 1.00 54.08 O ATOM 333 CB LYS A1535 1.743 18.608 91.584 1.00 60.33 C ATOM 334 CG LYS A1535 1.832 19.626 92.713 1.00 65.44 C ATOM 335 CD LYS A1535 2.509 20.924 92.246 1.00 68.78 C ATOM 336 CE LYS A1535 2.130 22.090 93.140 1.00 73.46 C ATOM 337 NZ LYS A1535 1.420 21.628 94.390 1.00 77.58 N ATOM 338 HZ1 LYS A1535 0.551 21.121 94.126 1.00 0.00 H ATOM 339 HZ2 LYS A1535 2.044 20.993 94.927 1.00 0.00 H ATOM 340 HZ3 LYS A1535 1.178 22.453 94.975 1.00 0.00 H ATOM 341 H LYS A1535 3.301 16.661 92.221 1.00 0.00 H ATOM 342 N PHE A1536 0.845 16.143 89.845 1.00 50.47 N ATOM 343 CA PHE A1536 0.060 15.765 88.679 1.00 48.57 C ATOM 344 C PHE A1536 -0.501 14.361 88.795 1.00 50.00 C ATOM 345 O PHE A1536 -1.553 14.080 88.210 1.00 52.14 O ATOM 346 CB PHE A1536 0.907 15.879 87.400 1.00 44.39 C ATOM 347 CG PHE A1536 1.605 17.217 87.242 1.00 43.74 C ATOM 348 CD1 PHE A1536 1.009 18.400 87.688 1.00 42.98 C ATOM 349 CD2 PHE A1536 2.860 17.290 86.659 1.00 41.34 C ATOM 350 CE1 PHE A1536 1.641 19.607 87.540 1.00 43.19 C ATOM 351 CE2 PHE A1536 3.515 18.503 86.499 1.00 40.40 C ATOM 352 CZ PHE A1536 2.915 19.664 86.947 1.00 42.51 C ATOM 353 H PHE A1536 1.871 15.976 89.842 1.00 0.00 H ATOM 354 N VAL A1537 0.173 13.481 89.530 1.00 49.86 N ATOM 355 CA VAL A1537 -0.241 12.090 89.719 1.00 49.23 C ATOM 356 C VAL A1537 -0.118 11.766 91.207 1.00 50.95 C ATOM 357 O VAL A1537 0.900 11.208 91.640 1.00 50.67 O ATOM 358 CB VAL A1537 0.594 11.132 88.855 1.00 47.23 C ATOM 359 CG1 VAL A1537 -0.038 9.765 88.847 1.00 46.37 C ATOM 360 CG2 VAL A1537 0.676 11.643 87.409 1.00 46.55 C ATOM 361 H VAL A1537 1.045 13.800 89.998 1.00 0.00 H ATOM 362 N PRO A1538 -1.128 12.096 92.018 1.00 53.31 N ATOM 363 CA PRO A1538 -0.920 12.158 93.478 1.00 55.14 C ATOM 364 C PRO A1538 -0.505 10.855 94.120 1.00 55.74 C ATOM 365 O PRO A1538 0.249 10.883 95.098 1.00 55.56 O ATOM 366 CB PRO A1538 -2.283 12.633 93.994 1.00 55.90 C ATOM 367 CG PRO A1538 -2.764 13.541 92.898 1.00 55.92 C ATOM 368 CD PRO A1538 -2.380 12.770 91.623 1.00 54.37 C ATOM 369 N ASP A1539 -0.922 9.725 93.579 1.00 57.22 N ATOM 370 CA ASP A1539 -0.667 8.414 94.158 1.00 59.76 C ATOM 371 C ASP A1539 0.564 7.713 93.590 1.00 53.63 C ATOM 372 O ASP A1539 0.902 6.617 94.054 1.00 51.66 O ATOM 373 CB ASP A1539 -1.894 7.512 93.954 1.00 66.50 C ATOM 374 CG ASP A1539 -3.110 7.975 94.787 1.00 75.72 C ATOM 375 OD1 ASP A1539 -3.024 9.037 95.457 1.00 80.57 O ATOM 376 OD2 ASP A1539 -4.154 7.275 94.777 1.00 80.15 O ATOM 377 H ASP A1539 -1.462 9.774 92.691 1.00 0.00 H ATOM 378 N TYR A1540 1.258 8.318 92.625 1.00 49.01 N ATOM 379 CA TYR A1540 2.246 7.555 91.864 1.00 46.45 C ATOM 380 C TYR A1540 3.267 6.883 92.777 1.00 44.42 C ATOM 381 O TYR A1540 3.497 5.673 92.679 1.00 40.60 O ATOM 382 CB TYR A1540 2.963 8.438 90.848 1.00 43.70 C ATOM 383 CG TYR A1540 3.733 7.592 89.877 1.00 42.41 C ATOM 384 CD1 TYR A1540 3.051 6.869 88.913 1.00 41.68 C ATOM 385 CD2 TYR A1540 5.127 7.470 89.944 1.00 41.64 C ATOM 386 CE1 TYR A1540 3.714 6.061 88.010 1.00 40.84 C ATOM 387 CE2 TYR A1540 5.825 6.648 89.021 1.00 40.57 C ATOM 388 CZ TYR A1540 5.088 5.956 88.054 1.00 40.20 C ATOM 389 OH TYR A1540 5.676 5.129 87.132 1.00 39.43 O ATOM 390 HH TYR A1540 4.979 4.742 86.546 1.00 0.00 H ATOM 391 H TYR A1540 1.098 9.324 92.416 1.00 0.00 H ATOM 392 N TYR A1541 3.898 7.665 93.666 1.00 45.93 N ATOM 393 CA TYR A1541 4.977 7.166 94.512 1.00 47.82 C ATOM 394 C TYR A1541 4.496 6.304 95.673 1.00 51.37 C ATOM 395 O TYR A1541 5.328 5.668 96.325 1.00 51.51 O ATOM 396 CB TYR A1541 5.820 8.343 95.025 1.00 48.91 C ATOM 397 CG TYR A1541 6.596 9.018 93.906 1.00 47.20 C ATOM 398 CD1 TYR A1541 7.749 8.439 93.381 1.00 46.68 C ATOM 399 CD2 TYR A1541 6.157 10.213 93.356 1.00 47.26 C ATOM 400 CE1 TYR A1541 8.466 9.063 92.329 1.00 46.31 C ATOM 401 CE2 TYR A1541 6.852 10.842 92.321 1.00 46.90 C ATOM 402 CZ TYR A1541 8.005 10.268 91.808 1.00 46.56 C ATOM 403 OH TYR A1541 8.675 10.894 90.767 1.00 45.49 O ATOM 404 HH TYR A1541 8.071 10.970 89.986 1.00 0.00 H ATOM 405 H TYR A1541 3.608 8.660 93.755 1.00 0.00 H ATOM 406 N LYS A1542 3.182 6.211 95.914 1.00 53.94 N ATOM 407 CA LYS A1542 2.693 5.224 96.870 1.00 56.61 C ATOM 408 C LYS A1542 2.561 3.849 96.241 1.00 55.53 C ATOM 409 O LYS A1542 2.684 2.834 96.937 1.00 55.77 O ATOM 410 CB LYS A1542 1.347 5.668 97.448 1.00 61.28 C ATOM 411 CG LYS A1542 1.426 6.941 98.313 1.00 64.70 C ATOM 412 CD LYS A1542 0.029 7.483 98.602 1.00 68.19 C ATOM 413 CE LYS A1542 0.005 9.010 98.674 1.00 70.38 C ATOM 414 NZ LYS A1542 -1.381 9.524 98.460 1.00 72.07 N ATOM 415 HZ1 LYS A1542 -1.720 9.225 97.523 1.00 0.00 H ATOM 416 HZ2 LYS A1542 -2.009 9.141 99.196 1.00 0.00 H ATOM 417 HZ3 LYS A1542 -1.376 10.563 98.513 1.00 0.00 H ATOM 418 H LYS A1542 2.514 6.839 95.422 1.00 0.00 H ATOM 419 N VAL A1543 2.300 3.798 94.937 1.00 53.47 N ATOM 420 CA VAL A1543 2.168 2.535 94.225 1.00 50.82 C ATOM 421 C VAL A1543 3.499 2.081 93.658 1.00 49.53 C ATOM 422 O VAL A1543 3.812 0.891 93.657 1.00 49.34 O ATOM 423 CB VAL A1543 1.124 2.688 93.108 1.00 50.91 C ATOM 424 CG1 VAL A1543 0.923 1.363 92.396 1.00 49.85 C ATOM 425 CG2 VAL A1543 -0.172 3.210 93.672 1.00 51.69 C ATOM 426 H VAL A1543 2.187 4.688 94.410 1.00 0.00 H ATOM 427 N ILE A1544 4.289 3.008 93.128 1.00 47.09 N ATOM 428 CA ILE A1544 5.452 2.659 92.335 1.00 44.87 C ATOM 429 C ILE A1544 6.680 2.788 93.234 1.00 47.47 C ATOM 430 O ILE A1544 7.094 3.895 93.588 1.00 48.35 O ATOM 431 CB ILE A1544 5.550 3.531 91.073 1.00 41.07 C ATOM 432 CG1 ILE A1544 4.378 3.219 90.132 1.00 38.36 C ATOM 433 CG2 ILE A1544 6.892 3.306 90.391 1.00 38.47 C ATOM 434 CD1 ILE A1544 4.220 1.676 89.848 1.00 37.22 C ATOM 435 H ILE A1544 4.067 4.012 93.286 1.00 0.00 H ATOM 436 N VAL A1545 7.290 1.648 93.546 1.00 50.45 N ATOM 437 CA VAL A1545 8.363 1.576 94.525 1.00 53.12 C ATOM 438 C VAL A1545 9.715 1.955 93.937 1.00 51.92 C ATOM 439 O VAL A1545 10.553 2.523 94.648 1.00 51.23 O ATOM 440 CB VAL A1545 8.407 0.162 95.118 1.00 57.40 C ATOM 441 CG1 VAL A1545 9.644 -0.005 95.991 1.00 61.01 C ATOM 442 CG2 VAL A1545 7.129 -0.123 95.906 1.00 61.08 C ATOM 443 H VAL A1545 6.988 0.774 93.071 1.00 0.00 H ATOM 444 N ASN A1546 9.976 1.621 92.664 1.00 49.70 N ATOM 445 CA ASN A1546 11.245 1.920 91.984 1.00 48.47 C ATOM 446 C ASN A1546 10.945 2.724 90.722 1.00 44.92 C ATOM 447 O ASN A1546 10.995 2.199 89.596 1.00 41.44 O ATOM 448 CB ASN A1546 12.042 0.651 91.662 1.00 50.51 C ATOM 449 CG ASN A1546 12.519 -0.071 92.925 1.00 54.18 C ATOM 450 OD1 ASN A1546 11.861 -0.991 93.403 1.00 58.15 O ATOM 451 ND2 ASN A1546 13.633 0.378 93.494 1.00 53.60 N ATOM 452 HD22 ASN A1546 14.162 1.160 93.057 1.00 0.00 H ATOM 453 HD21 ASN A1546 13.976 -0.052 94.376 1.00 0.00 H ATOM 454 H ASN A1546 9.238 1.122 92.127 1.00 0.00 H ATOM 455 N PRO A1547 10.657 4.012 90.872 1.00 45.70 N ATOM 456 CA PRO A1547 10.331 4.839 89.707 1.00 44.45 C ATOM 457 C PRO A1547 11.483 4.874 88.710 1.00 43.44 C ATOM 458 O PRO A1547 12.651 4.685 89.067 1.00 43.18 O ATOM 459 CB PRO A1547 10.066 6.225 90.312 1.00 45.13 C ATOM 460 CG PRO A1547 9.988 6.007 91.829 1.00 46.66 C ATOM 461 CD PRO A1547 10.761 4.783 92.129 1.00 45.96 C ATOM 462 N MET A1548 11.138 5.125 87.445 1.00 41.41 N ATOM 463 CA MET A1548 12.129 5.213 86.379 1.00 40.52 C ATOM 464 C MET A1548 11.553 6.040 85.232 1.00 39.50 C ATOM 465 O MET A1548 10.344 6.001 84.962 1.00 37.57 O ATOM 466 CB MET A1548 12.551 3.828 85.856 1.00 40.06 C ATOM 467 CG MET A1548 13.763 3.855 84.864 1.00 39.14 C ATOM 468 SD MET A1548 15.212 4.782 85.468 1.00 40.79 S ATOM 469 CE MET A1548 15.482 4.058 87.098 1.00 40.41 C ATOM 470 H MET A1548 10.133 5.262 87.213 1.00 0.00 H ATOM 471 N ASP A1549 12.429 6.784 84.559 1.00 39.17 N ATOM 472 CA ASP A1549 12.006 7.633 83.450 1.00 39.39 C ATOM 473 C ASP A1549 13.205 7.857 82.532 1.00 37.15 C ATOM 474 O ASP A1549 14.345 7.606 82.915 1.00 35.90 O ATOM 475 CB ASP A1549 11.485 8.948 83.990 1.00 43.46 C ATOM 476 CG ASP A1549 12.608 9.760 84.652 1.00 47.57 C ATOM 477 OD1 ASP A1549 13.404 10.346 83.882 1.00 49.97 O ATOM 478 OD2 ASP A1549 12.730 9.785 85.913 1.00 49.30 O ATOM 479 H ASP A1549 13.433 6.759 84.829 1.00 0.00 H ATOM 480 N LEU A1550 12.944 8.405 81.339 1.00 34.95 N ATOM 481 CA LEU A1550 14.000 8.497 80.322 1.00 35.62 C ATOM 482 C LEU A1550 15.066 9.527 80.717 1.00 37.21 C ATOM 483 O LEU A1550 16.245 9.364 80.398 1.00 37.71 O ATOM 484 CB LEU A1550 13.368 8.814 78.938 1.00 33.55 C ATOM 485 CG LEU A1550 12.392 7.774 78.330 1.00 32.49 C ATOM 486 CD1 LEU A1550 11.834 8.108 76.888 1.00 31.22 C ATOM 487 CD2 LEU A1550 13.040 6.385 78.299 1.00 31.44 C ATOM 488 H LEU A1550 11.991 8.767 81.132 1.00 0.00 H ATOM 489 N GLU A1551 14.670 10.579 81.416 1.00 40.81 N ATOM 490 CA GLU A1551 15.624 11.564 81.913 1.00 44.75 C ATOM 491 C GLU A1551 16.587 10.951 82.927 1.00 44.44 C ATOM 492 O GLU A1551 17.788 11.244 82.918 1.00 45.25 O ATOM 493 CB GLU A1551 14.865 12.737 82.531 1.00 50.53 C ATOM 494 CG GLU A1551 15.637 14.053 82.542 1.00 56.01 C ATOM 495 CD GLU A1551 15.323 14.915 83.756 1.00 61.04 C ATOM 496 OE1 GLU A1551 16.220 15.071 84.620 1.00 66.81 O ATOM 497 OE2 GLU A1551 14.182 15.435 83.852 1.00 61.24 O ATOM 498 H GLU A1551 13.657 10.706 81.615 1.00 0.00 H ATOM 499 N THR A1552 16.086 10.099 83.811 1.00 42.67 N ATOM 500 CA THR A1552 16.956 9.379 84.732 1.00 42.25 C ATOM 501 C THR A1552 17.899 8.425 83.998 1.00 41.32 C ATOM 502 O THR A1552 19.100 8.370 84.301 1.00 41.59 O ATOM 503 CB THR A1552 16.094 8.638 85.736 1.00 43.12 C ATOM 504 OG1 THR A1552 15.233 9.590 86.361 1.00 43.72 O ATOM 505 CG2 THR A1552 16.938 7.934 86.786 1.00 43.27 C ATOM 506 HG1 THR A1552 14.666 10.022 85.674 1.00 0.00 H ATOM 507 H THR A1552 15.058 9.943 83.847 1.00 0.00 H ATOM 508 N ILE A1553 17.391 7.679 83.020 1.00 36.72 N ATOM 509 CA ILE A1553 18.284 6.858 82.195 1.00 36.89 C ATOM 510 C ILE A1553 19.366 7.727 81.533 1.00 37.14 C ATOM 511 O ILE A1553 20.560 7.384 81.545 1.00 36.16 O ATOM 512 CB ILE A1553 17.469 6.050 81.168 1.00 34.82 C ATOM 513 CG1 ILE A1553 16.587 5.056 81.936 1.00 35.21 C ATOM 514 CG2 ILE A1553 18.411 5.299 80.217 1.00 34.83 C ATOM 515 CD1 ILE A1553 15.746 4.079 81.079 1.00 34.52 C ATOM 516 H ILE A1553 16.366 7.678 82.842 1.00 0.00 H ATOM 517 N ARG A1554 18.978 8.885 80.973 1.00 36.80 N ATOM 518 CA ARG A1554 19.993 9.753 80.367 1.00 40.32 C ATOM 519 C ARG A1554 21.022 10.239 81.391 1.00 42.20 C ATOM 520 O ARG A1554 22.214 10.360 81.077 1.00 41.18 O ATOM 521 CB ARG A1554 19.371 10.960 79.695 1.00 40.87 C ATOM 522 CG ARG A1554 18.623 10.635 78.461 1.00 43.98 C ATOM 523 CD ARG A1554 18.292 11.931 77.741 1.00 46.13 C ATOM 524 NE ARG A1554 19.468 12.419 77.038 1.00 48.95 N ATOM 525 CZ ARG A1554 19.565 13.643 76.531 1.00 52.14 C ATOM 526 NH1 ARG A1554 18.546 14.486 76.669 1.00 52.71 N ATOM 527 NH2 ARG A1554 20.665 14.018 75.883 1.00 53.04 N ATOM 528 HE ARG A1554 20.277 11.775 76.926 1.00 0.00 H ATOM 529 HH12 ARG A1554 18.609 15.447 76.277 1.00 0.00 H ATOM 530 HH11 ARG A1554 17.686 14.184 77.169 1.00 0.00 H ATOM 531 HH22 ARG A1554 20.734 14.978 75.489 1.00 0.00 H ATOM 532 HH21 ARG A1554 21.455 13.351 75.771 1.00 0.00 H ATOM 533 H ARG A1554 17.975 9.161 80.969 1.00 0.00 H ATOM 534 N LYS A1555 20.576 10.579 82.601 1.00 45.15 N ATOM 535 CA LYS A1555 21.515 11.022 83.626 1.00 48.43 C ATOM 536 C LYS A1555 22.416 9.870 84.051 1.00 45.44 C ATOM 537 O LYS A1555 23.612 10.060 84.276 1.00 46.73 O ATOM 538 CB LYS A1555 20.746 11.599 84.817 1.00 54.87 C ATOM 539 CG LYS A1555 21.548 12.557 85.699 1.00 62.03 C ATOM 540 CD LYS A1555 20.760 12.976 86.945 1.00 67.19 C ATOM 541 CE LYS A1555 19.369 13.536 86.596 1.00 70.97 C ATOM 542 NZ LYS A1555 18.559 13.738 87.836 1.00 75.13 N ATOM 543 HZ1 LYS A1555 18.444 12.828 88.326 1.00 0.00 H ATOM 544 HZ2 LYS A1555 19.047 14.410 88.462 1.00 0.00 H ATOM 545 HZ3 LYS A1555 17.624 14.116 87.580 1.00 0.00 H ATOM 546 H LYS A1555 19.559 10.528 82.814 1.00 0.00 H ATOM 547 N ASN A1556 21.871 8.651 84.106 1.00 43.50 N ATOM 548 CA ASN A1556 22.687 7.486 84.426 1.00 42.38 C ATOM 549 C ASN A1556 23.756 7.238 83.359 1.00 41.15 C ATOM 550 O ASN A1556 24.910 6.951 83.697 1.00 40.74 O ATOM 551 CB ASN A1556 21.797 6.264 84.608 1.00 41.63 C ATOM 552 CG ASN A1556 20.939 6.331 85.894 1.00 43.20 C ATOM 553 OD1 ASN A1556 21.202 7.118 86.796 1.00 44.47 O ATOM 554 ND2 ASN A1556 19.932 5.463 85.975 1.00 41.92 N ATOM 555 HD22 ASN A1556 19.742 4.812 85.187 1.00 0.00 H ATOM 556 HD21 ASN A1556 19.336 5.437 86.827 1.00 0.00 H ATOM 557 H ASN A1556 20.855 8.532 83.919 1.00 0.00 H ATOM 558 N ILE A1557 23.382 7.355 82.070 1.00 38.93 N ATOM 559 CA ILE A1557 24.308 7.188 80.948 1.00 37.78 C ATOM 560 C ILE A1557 25.445 8.190 81.035 1.00 42.48 C ATOM 561 O ILE A1557 26.616 7.834 80.850 1.00 43.92 O ATOM 562 CB ILE A1557 23.555 7.336 79.611 1.00 35.85 C ATOM 563 CG1 ILE A1557 22.499 6.215 79.417 1.00 33.51 C ATOM 564 CG2 ILE A1557 24.547 7.526 78.390 1.00 34.87 C ATOM 565 CD1 ILE A1557 21.810 6.336 78.109 1.00 33.10 C ATOM 566 H ILE A1557 22.387 7.575 81.862 1.00 0.00 H ATOM 567 N SER A1558 25.128 9.456 81.326 1.00 44.82 N ATOM 568 CA SER A1558 26.167 10.480 81.395 1.00 49.44 C ATOM 569 C SER A1558 27.109 10.275 82.585 1.00 51.33 C ATOM 570 O SER A1558 28.206 10.832 82.586 1.00 51.62 O ATOM 571 CB SER A1558 25.533 11.884 81.439 1.00 50.14 C ATOM 572 OG SER A1558 25.149 12.258 82.765 1.00 51.97 O ATOM 573 HG SER A1558 24.487 11.608 83.111 1.00 0.00 H ATOM 574 H SER A1558 24.136 9.713 81.504 1.00 0.00 H ATOM 575 N LYS A1559 26.697 9.517 83.598 1.00 51.94 N ATOM 576 CA LYS A1559 27.566 9.120 84.687 1.00 55.51 C ATOM 577 C LYS A1559 28.176 7.750 84.454 1.00 52.42 C ATOM 578 O LYS A1559 28.849 7.223 85.346 1.00 52.10 O ATOM 579 CB LYS A1559 26.797 9.121 86.013 1.00 60.96 C ATOM 580 CG LYS A1559 26.264 10.481 86.437 1.00 65.82 C ATOM 581 CD LYS A1559 25.226 10.338 87.563 1.00 70.20 C ATOM 582 CE LYS A1559 25.126 11.595 88.456 1.00 75.97 C ATOM 583 NZ LYS A1559 24.038 12.552 88.053 1.00 77.57 N ATOM 584 HZ1 LYS A1559 24.209 12.880 87.081 1.00 0.00 H ATOM 585 HZ2 LYS A1559 23.118 12.069 88.100 1.00 0.00 H ATOM 586 HZ3 LYS A1559 24.037 13.366 88.700 1.00 0.00 H ATOM 587 H LYS A1559 25.708 9.196 83.608 1.00 0.00 H ATOM 588 N HIS A1560 27.933 7.150 83.288 1.00 49.22 N ATOM 589 CA HIS A1560 28.534 5.867 82.925 1.00 47.23 C ATOM 590 C HIS A1560 28.086 4.767 83.859 1.00 45.79 C ATOM 591 O HIS A1560 28.832 3.837 84.164 1.00 45.75 O ATOM 592 CB HIS A1560 30.057 5.963 82.877 1.00 49.61 C ATOM 593 CG HIS A1560 30.534 7.053 81.975 1.00 49.46 C ATOM 594 ND1 HIS A1560 30.059 7.206 80.684 1.00 48.90 N ATOM 595 CD2 HIS A1560 31.395 8.076 82.188 1.00 50.40 C ATOM 596 CE1 HIS A1560 30.631 8.262 80.132 1.00 49.62 C ATOM 597 NE2 HIS A1560 31.448 8.805 81.025 1.00 51.26 N ATOM 598 H HIS A1560 27.292 7.612 82.611 1.00 0.00 H ATOM 599 N LYS A1561 26.826 4.840 84.285 1.00 45.68 N ATOM 600 CA LYS A1561 26.301 3.770 85.113 1.00 46.79 C ATOM 601 C LYS A1561 26.281 2.439 84.371 1.00 45.02 C ATOM 602 O LYS A1561 26.391 1.375 84.998 1.00 44.98 O ATOM 603 CB LYS A1561 24.894 4.116 85.597 1.00 49.64 C ATOM 604 CG LYS A1561 24.400 3.171 86.681 1.00 53.44 C ATOM 605 CD LYS A1561 22.929 3.392 87.055 1.00 56.10 C ATOM 606 CE LYS A1561 22.602 2.682 88.387 1.00 59.19 C ATOM 607 NZ LYS A1561 21.862 3.568 89.343 1.00 62.62 N ATOM 608 HZ1 LYS A1561 22.442 4.404 89.559 1.00 0.00 H ATOM 609 HZ2 LYS A1561 20.965 3.869 88.911 1.00 0.00 H ATOM 610 HZ3 LYS A1561 21.667 3.044 90.220 1.00 0.00 H ATOM 611 H LYS A1561 26.228 5.651 84.028 1.00 0.00 H ATOM 612 N TYR A1562 26.088 2.454 83.046 1.00 43.33 N ATOM 613 CA TYR A1562 25.807 1.213 82.330 1.00 43.19 C ATOM 614 C TYR A1562 27.055 0.780 81.582 1.00 45.41 C ATOM 615 O TYR A1562 27.521 1.485 80.676 1.00 44.77 O ATOM 616 CB TYR A1562 24.617 1.349 81.371 1.00 41.64 C ATOM 617 CG TYR A1562 23.385 1.971 82.002 1.00 40.37 C ATOM 618 CD1 TYR A1562 22.723 1.343 83.057 1.00 41.49 C ATOM 619 CD2 TYR A1562 22.882 3.190 81.538 1.00 39.90 C ATOM 620 CE1 TYR A1562 21.575 1.916 83.631 1.00 42.13 C ATOM 621 CE2 TYR A1562 21.770 3.775 82.096 1.00 39.17 C ATOM 622 CZ TYR A1562 21.093 3.137 83.127 1.00 40.67 C ATOM 623 OH TYR A1562 19.967 3.728 83.692 1.00 39.56 O ATOM 624 HH TYR A1562 19.612 3.143 84.407 1.00 0.00 H ATOM 625 H TYR A1562 26.138 3.353 82.525 1.00 0.00 H ATOM 626 N GLN A1563 27.576 -0.384 81.963 1.00 47.31 N ATOM 627 CA GLN A1563 28.722 -1.022 81.345 1.00 50.55 C ATOM 628 C GLN A1563 28.343 -2.061 80.303 1.00 49.72 C ATOM 629 O GLN A1563 29.224 -2.532 79.571 1.00 49.71 O ATOM 630 CB GLN A1563 29.574 -1.692 82.417 1.00 55.33 C ATOM 631 CG GLN A1563 30.781 -0.919 82.804 1.00 60.41 C ATOM 632 CD GLN A1563 30.564 -0.158 84.079 1.00 64.06 C ATOM 633 OE1 GLN A1563 31.227 -0.417 85.101 1.00 68.92 O ATOM 634 NE2 GLN A1563 29.645 0.804 84.035 1.00 62.00 N ATOM 635 HE22 GLN A1563 29.118 0.980 83.156 1.00 0.00 H ATOM 636 HE21 GLN A1563 29.454 1.379 84.880 1.00 0.00 H ATOM 637 H GLN A1563 27.127 -0.873 82.764 1.00 0.00 H ATOM 638 N SER A1564 27.066 -2.429 80.221 1.00 48.21 N ATOM 639 CA SER A1564 26.605 -3.497 79.340 1.00 48.19 C ATOM 640 C SER A1564 25.148 -3.208 79.013 1.00 46.83 C ATOM 641 O SER A1564 24.517 -2.368 79.650 1.00 45.16 O ATOM 642 CB SER A1564 26.765 -4.882 79.999 1.00 49.27 C ATOM 643 OG SER A1564 25.827 -5.052 81.071 1.00 49.46 O ATOM 644 HG SER A1564 25.950 -5.947 81.477 1.00 0.00 H ATOM 645 H SER A1564 26.367 -1.934 80.810 1.00 0.00 H ATOM 646 N ARG A1565 24.624 -3.904 78.000 1.00 48.40 N ATOM 647 CA ARG A1565 23.219 -3.756 77.634 1.00 49.27 C ATOM 648 C ARG A1565 22.291 -4.205 78.754 1.00 51.38 C ATOM 649 O ARG A1565 21.208 -3.632 78.938 1.00 49.81 O ATOM 650 CB ARG A1565 22.934 -4.555 76.373 1.00 49.40 C ATOM 651 CG ARG A1565 23.304 -3.806 75.134 1.00 50.45 C ATOM 652 CD ARG A1565 23.366 -4.741 73.921 1.00 51.89 C ATOM 653 NE ARG A1565 24.507 -5.633 73.990 1.00 54.41 N ATOM 654 CZ ARG A1565 24.838 -6.480 73.024 1.00 57.23 C ATOM 655 NH1 ARG A1565 25.921 -7.244 73.151 1.00 59.15 N ATOM 656 NH2 ARG A1565 24.076 -6.562 71.938 1.00 58.17 N ATOM 657 HE ARG A1565 25.099 -5.607 74.845 1.00 0.00 H ATOM 658 HH12 ARG A1565 26.181 -7.908 72.394 1.00 0.00 H ATOM 659 HH11 ARG A1565 26.507 -7.177 74.007 1.00 0.00 H ATOM 660 HH22 ARG A1565 24.327 -7.223 71.175 1.00 0.00 H ATOM 661 HH21 ARG A1565 23.229 -5.965 71.851 1.00 0.00 H ATOM 662 H ARG A1565 25.226 -4.561 77.464 1.00 0.00 H ATOM 663 N GLU A1566 22.698 -5.224 79.506 1.00 54.62 N ATOM 664 CA GLU A1566 21.820 -5.806 80.514 1.00 57.78 C ATOM 665 C GLU A1566 21.393 -4.778 81.550 1.00 51.89 C ATOM 666 O GLU A1566 20.208 -4.692 81.892 1.00 49.41 O ATOM 667 CB GLU A1566 22.503 -6.991 81.199 1.00 68.18 C ATOM 668 CG GLU A1566 22.286 -8.329 80.503 1.00 77.18 C ATOM 669 CD GLU A1566 22.540 -9.532 81.428 1.00 87.52 C ATOM 670 OE1 GLU A1566 22.014 -9.550 82.581 1.00 88.58 O ATOM 671 OE2 GLU A1566 23.270 -10.462 80.991 1.00 92.90 O ATOM 672 H GLU A1566 23.654 -5.610 79.373 1.00 0.00 H ATOM 673 N SER A1567 22.342 -4.014 82.106 1.00 48.40 N ATOM 674 CA SER A1567 21.922 -3.052 83.125 1.00 44.69 C ATOM 675 C SER A1567 21.194 -1.886 82.485 1.00 41.12 C ATOM 676 O SER A1567 20.303 -1.303 83.101 1.00 40.81 O ATOM 677 CB SER A1567 23.107 -2.545 83.959 1.00 44.51 C ATOM 678 OG SER A1567 24.077 -1.967 83.088 1.00 44.58 O ATOM 679 HG SER A1567 24.844 -1.638 83.621 1.00 0.00 H ATOM 680 H SER A1567 23.339 -4.101 81.824 1.00 0.00 H ATOM 681 N PHE A1568 21.524 -1.545 81.241 1.00 40.26 N ATOM 682 CA PHE A1568 20.695 -0.567 80.543 1.00 39.40 C ATOM 683 C PHE A1568 19.267 -1.098 80.363 1.00 38.02 C ATOM 684 O PHE A1568 18.286 -0.424 80.693 1.00 37.38 O ATOM 685 CB PHE A1568 21.352 -0.222 79.208 1.00 39.00 C ATOM 686 CG PHE A1568 20.521 0.628 78.314 1.00 39.33 C ATOM 687 CD1 PHE A1568 20.300 1.966 78.609 1.00 39.90 C ATOM 688 CD2 PHE A1568 19.992 0.112 77.146 1.00 38.67 C ATOM 689 CE1 PHE A1568 19.550 2.771 77.752 1.00 37.63 C ATOM 690 CE2 PHE A1568 19.273 0.905 76.282 1.00 38.18 C ATOM 691 CZ PHE A1568 19.047 2.239 76.578 1.00 37.83 C ATOM 692 H PHE A1568 22.354 -1.966 80.777 1.00 0.00 H ATOM 693 N LEU A1569 19.130 -2.325 79.882 1.00 38.70 N ATOM 694 CA LEU A1569 17.790 -2.855 79.648 1.00 37.09 C ATOM 695 C LEU A1569 17.007 -3.033 80.942 1.00 38.28 C ATOM 696 O LEU A1569 15.778 -2.919 80.924 1.00 37.90 O ATOM 697 CB LEU A1569 17.880 -4.179 78.916 1.00 36.24 C ATOM 698 CG LEU A1569 18.196 -3.982 77.438 1.00 36.89 C ATOM 699 CD1 LEU A1569 18.579 -5.356 76.860 1.00 37.01 C ATOM 700 CD2 LEU A1569 17.005 -3.348 76.684 1.00 34.56 C ATOM 701 H LEU A1569 19.968 -2.904 79.673 1.00 0.00 H ATOM 702 N ASP A1570 17.677 -3.322 82.064 1.00 40.15 N ATOM 703 CA ASP A1570 16.961 -3.423 83.339 1.00 42.81 C ATOM 704 C ASP A1570 16.191 -2.146 83.651 1.00 41.40 C ATOM 705 O ASP A1570 15.016 -2.202 84.038 1.00 40.68 O ATOM 706 CB ASP A1570 17.920 -3.754 84.482 1.00 47.22 C ATOM 707 CG ASP A1570 18.377 -5.215 84.455 1.00 50.99 C ATOM 708 OD1 ASP A1570 17.835 -5.982 83.629 1.00 52.38 O ATOM 709 OD2 ASP A1570 19.276 -5.593 85.246 1.00 55.33 O ATOM 710 H ASP A1570 18.705 -3.475 82.031 1.00 0.00 H ATOM 711 N ASP A1571 16.831 -0.978 83.492 1.00 41.08 N ATOM 712 CA ASP A1571 16.109 0.275 83.719 1.00 40.37 C ATOM 713 C ASP A1571 15.033 0.510 82.651 1.00 38.21 C ATOM 714 O ASP A1571 13.913 0.966 82.965 1.00 36.58 O ATOM 715 CB ASP A1571 17.087 1.445 83.777 1.00 43.05 C ATOM 716 CG ASP A1571 17.766 1.540 85.114 1.00 46.93 C ATOM 717 OD1 ASP A1571 17.245 0.885 86.041 1.00 47.49 O ATOM 718 OD2 ASP A1571 18.810 2.239 85.246 1.00 47.95 O ATOM 719 H ASP A1571 17.832 -0.963 83.210 1.00 0.00 H ATOM 720 N VAL A1572 15.331 0.167 81.394 1.00 35.26 N ATOM 721 CA VAL A1572 14.341 0.356 80.339 1.00 33.98 C ATOM 722 C VAL A1572 13.087 -0.490 80.626 1.00 34.51 C ATOM 723 O VAL A1572 11.947 0.001 80.605 1.00 34.21 O ATOM 724 CB VAL A1572 14.985 0.054 78.964 1.00 32.35 C ATOM 725 CG1 VAL A1572 13.947 -0.023 77.883 1.00 31.82 C ATOM 726 CG2 VAL A1572 15.954 1.208 78.585 1.00 32.79 C ATOM 727 H VAL A1572 16.264 -0.233 81.169 1.00 0.00 H ATOM 728 N ASN A1573 13.285 -1.766 80.922 1.00 35.14 N ATOM 729 CA ASN A1573 12.173 -2.664 81.227 1.00 36.48 C ATOM 730 C ASN A1573 11.401 -2.221 82.467 1.00 35.92 C ATOM 731 O ASN A1573 10.188 -2.463 82.563 1.00 34.06 O ATOM 732 CB ASN A1573 12.704 -4.093 81.388 1.00 37.45 C ATOM 733 CG ASN A1573 12.949 -4.737 80.051 1.00 39.31 C ATOM 734 OD1 ASN A1573 12.141 -4.580 79.151 1.00 39.19 O ATOM 735 ND2 ASN A1573 14.058 -5.435 79.900 1.00 40.08 N ATOM 736 HD22 ASN A1573 14.718 -5.542 80.697 1.00 0.00 H ATOM 737 HD21 ASN A1573 14.273 -5.879 78.984 1.00 0.00 H ATOM 738 H ASN A1573 14.256 -2.138 80.938 1.00 0.00 H ATOM 739 N LEU A1574 12.074 -1.541 83.398 1.00 35.89 N ATOM 740 CA LEU A1574 11.395 -1.050 84.593 1.00 36.17 C ATOM 741 C LEU A1574 10.327 -0.027 84.238 1.00 36.02 C ATOM 742 O LEU A1574 9.275 0.032 84.885 1.00 35.84 O ATOM 743 CB LEU A1574 12.412 -0.451 85.560 1.00 37.20 C ATOM 744 CG LEU A1574 11.953 0.001 86.937 1.00 38.22 C ATOM 745 CD1 LEU A1574 11.261 -1.073 87.728 1.00 38.43 C ATOM 746 CD2 LEU A1574 13.167 0.481 87.743 1.00 39.43 C ATOM 747 H LEU A1574 13.090 -1.360 83.271 1.00 0.00 H ATOM 748 N ILE A1575 10.578 0.802 83.218 1.00 34.19 N ATOM 749 CA ILE A1575 9.556 1.764 82.835 1.00 33.81 C ATOM 750 C ILE A1575 8.275 1.035 82.428 1.00 34.00 C ATOM 751 O ILE A1575 7.171 1.421 82.841 1.00 34.92 O ATOM 752 CB ILE A1575 10.049 2.696 81.711 1.00 33.61 C ATOM 753 CG1 ILE A1575 11.242 3.536 82.177 1.00 33.62 C ATOM 754 CG2 ILE A1575 8.891 3.589 81.242 1.00 32.93 C ATOM 755 CD1 ILE A1575 11.949 4.202 81.090 1.00 34.12 C ATOM 756 H ILE A1575 11.484 0.760 82.710 1.00 0.00 H ATOM 757 N LEU A1576 8.398 -0.048 81.648 1.00 33.18 N ATOM 758 CA LEU A1576 7.204 -0.776 81.215 1.00 33.06 C ATOM 759 C LEU A1576 6.546 -1.488 82.392 1.00 33.43 C ATOM 760 O LEU A1576 5.315 -1.475 82.531 1.00 32.24 O ATOM 761 CB LEU A1576 7.571 -1.754 80.101 1.00 33.06 C ATOM 762 CG LEU A1576 6.592 -2.844 79.693 1.00 33.40 C ATOM 763 CD1 LEU A1576 5.242 -2.219 79.340 1.00 33.29 C ATOM 764 CD2 LEU A1576 7.174 -3.596 78.510 1.00 33.61 C ATOM 765 H LEU A1576 9.341 -0.371 81.351 1.00 0.00 H ATOM 766 N ALA A1577 7.362 -2.049 83.291 1.00 32.47 N ATOM 767 CA ALA A1577 6.823 -2.763 84.445 1.00 33.13 C ATOM 768 C ALA A1577 6.067 -1.828 85.383 1.00 33.01 C ATOM 769 O ALA A1577 5.020 -2.197 85.911 1.00 32.43 O ATOM 770 CB ALA A1577 7.950 -3.486 85.182 1.00 33.08 C ATOM 771 H ALA A1577 8.392 -1.976 83.167 1.00 0.00 H ATOM 772 N ASN A1578 6.584 -0.624 85.616 1.00 31.87 N ATOM 773 CA ASN A1578 5.845 0.339 86.427 1.00 32.80 C ATOM 774 C ASN A1578 4.531 0.739 85.752 1.00 32.40 C ATOM 775 O ASN A1578 3.509 0.919 86.421 1.00 30.86 O ATOM 776 CB ASN A1578 6.735 1.556 86.711 1.00 32.31 C ATOM 777 CG ASN A1578 7.911 1.202 87.656 1.00 34.15 C ATOM 778 OD1 ASN A1578 7.843 0.198 88.360 1.00 33.06 O ATOM 779 ND2 ASN A1578 8.981 2.019 87.658 1.00 31.96 N ATOM 780 HD22 ASN A1578 8.995 2.859 87.045 1.00 0.00 H ATOM 781 HD21 ASN A1578 9.793 1.810 88.273 1.00 0.00 H ATOM 782 H ASN A1578 7.512 -0.370 85.221 1.00 0.00 H ATOM 783 N SER A1579 4.527 0.837 84.417 1.00 33.43 N ATOM 784 CA SER A1579 3.306 1.244 83.728 1.00 33.99 C ATOM 785 C SER A1579 2.239 0.151 83.777 1.00 32.50 C ATOM 786 O SER A1579 1.063 0.452 84.008 1.00 32.06 O ATOM 787 CB SER A1579 3.612 1.652 82.286 1.00 35.09 C ATOM 788 OG SER A1579 2.426 2.135 81.655 1.00 35.70 O ATOM 789 HG SER A1579 1.740 1.421 81.654 1.00 0.00 H ATOM 790 H SER A1579 5.388 0.625 83.874 1.00 0.00 H ATOM 791 N VAL A1580 2.609 -1.123 83.565 1.00 32.96 N ATOM 792 CA VAL A1580 1.643 -2.202 83.777 1.00 32.42 C ATOM 793 C VAL A1580 1.082 -2.130 85.202 1.00 34.94 C ATOM 794 O VAL A1580 -0.141 -2.153 85.423 1.00 34.53 O ATOM 795 CB VAL A1580 2.268 -3.580 83.486 1.00 30.78 C ATOM 796 CG1 VAL A1580 1.263 -4.666 83.852 1.00 30.97 C ATOM 797 CG2 VAL A1580 2.691 -3.730 81.998 1.00 29.57 C ATOM 798 H VAL A1580 3.576 -1.341 83.252 1.00 0.00 H ATOM 799 N LYS A1581 1.964 -1.987 86.193 1.00 37.07 N ATOM 800 CA LYS A1581 1.500 -1.934 87.578 1.00 40.10 C ATOM 801 C LYS A1581 0.557 -0.750 87.811 1.00 40.48 C ATOM 802 O LYS A1581 -0.519 -0.908 88.380 1.00 40.45 O ATOM 803 CB LYS A1581 2.688 -1.846 88.524 1.00 43.27 C ATOM 804 CG LYS A1581 2.265 -1.764 90.011 1.00 46.46 C ATOM 805 CD LYS A1581 3.188 -2.636 90.831 1.00 49.18 C ATOM 806 CE LYS A1581 3.098 -2.340 92.326 1.00 52.11 C ATOM 807 NZ LYS A1581 3.159 -3.635 93.103 1.00 53.15 N ATOM 808 HZ1 LYS A1581 2.364 -4.244 92.822 1.00 0.00 H ATOM 809 HZ2 LYS A1581 4.057 -4.118 92.899 1.00 0.00 H ATOM 810 HZ3 LYS A1581 3.097 -3.430 94.121 1.00 0.00 H ATOM 811 H LYS A1581 2.979 -1.913 85.980 1.00 0.00 H ATOM 812 N TYR A1582 0.944 0.455 87.378 1.00 39.83 N ATOM 813 CA TYR A1582 0.152 1.627 87.757 1.00 40.70 C ATOM 814 C TYR A1582 -1.082 1.810 86.871 1.00 40.26 C ATOM 815 O TYR A1582 -2.143 2.211 87.358 1.00 40.91 O ATOM 816 CB TYR A1582 1.012 2.888 87.714 1.00 41.17 C ATOM 817 CG TYR A1582 0.296 4.087 88.302 1.00 43.61 C ATOM 818 CD1 TYR A1582 0.120 4.198 89.671 1.00 43.99 C ATOM 819 CD2 TYR A1582 -0.221 5.094 87.494 1.00 42.84 C ATOM 820 CE1 TYR A1582 -0.556 5.266 90.240 1.00 45.65 C ATOM 821 CE2 TYR A1582 -0.902 6.187 88.068 1.00 45.17 C ATOM 822 CZ TYR A1582 -1.066 6.251 89.445 1.00 46.00 C ATOM 823 OH TYR A1582 -1.723 7.298 90.038 1.00 47.97 O ATOM 824 HH TYR A1582 -1.737 7.164 91.019 1.00 0.00 H ATOM 825 H TYR A1582 1.791 0.558 86.784 1.00 0.00 H ATOM 826 N ASN A1583 -0.972 1.521 85.573 1.00 38.03 N ATOM 827 CA ASN A1583 -2.027 1.843 84.629 1.00 37.18 C ATOM 828 C ASN A1583 -2.765 0.641 84.081 1.00 37.92 C ATOM 829 O ASN A1583 -3.858 0.824 83.543 1.00 38.14 O ATOM 830 CB ASN A1583 -1.474 2.606 83.417 1.00 35.37 C ATOM 831 CG ASN A1583 -0.732 3.823 83.798 1.00 35.59 C ATOM 832 OD1 ASN A1583 -1.308 4.759 84.347 1.00 36.50 O ATOM 833 ND2 ASN A1583 0.554 3.865 83.453 1.00 34.22 N ATOM 834 HD22 ASN A1583 0.995 3.045 82.990 1.00 0.00 H ATOM 835 HD21 ASN A1583 1.117 4.718 83.647 1.00 0.00 H ATOM 836 H ASN A1583 -0.109 1.053 85.229 1.00 0.00 H ATOM 837 N GLY A1584 -2.181 -0.557 84.146 1.00 36.84 N ATOM 838 CA GLY A1584 -2.826 -1.755 83.665 1.00 37.10 C ATOM 839 C GLY A1584 -2.252 -2.214 82.333 1.00 36.40 C ATOM 840 O GLY A1584 -1.608 -1.445 81.606 1.00 36.76 O ATOM 841 H GLY A1584 -1.229 -0.630 84.557 1.00 0.00 H ATOM 842 N PRO A1585 -2.486 -3.475 81.970 1.00 36.04 N ATOM 843 CA PRO A1585 -1.804 -4.027 80.774 1.00 36.79 C ATOM 844 C PRO A1585 -2.289 -3.474 79.435 1.00 39.10 C ATOM 845 O PRO A1585 -1.573 -3.638 78.439 1.00 37.01 O ATOM 846 CB PRO A1585 -2.066 -5.528 80.876 1.00 34.86 C ATOM 847 CG PRO A1585 -3.379 -5.624 81.715 1.00 35.76 C ATOM 848 CD PRO A1585 -3.443 -4.405 82.588 1.00 36.60 C ATOM 849 N GLU A1586 -3.474 -2.853 79.362 1.00 42.03 N ATOM 850 CA GLU A1586 -4.025 -2.383 78.096 1.00 45.68 C ATOM 851 C GLU A1586 -4.193 -0.870 78.031 1.00 43.11 C ATOM 852 O GLU A1586 -4.666 -0.338 77.015 1.00 42.30 O ATOM 853 CB GLU A1586 -5.363 -3.064 77.836 1.00 52.27 C ATOM 854 CG GLU A1586 -5.188 -4.436 77.226 1.00 58.06 C ATOM 855 CD GLU A1586 -6.389 -5.341 77.449 1.00 63.76 C ATOM 856 OE1 GLU A1586 -7.053 -5.708 76.441 1.00 68.35 O ATOM 857 OE2 GLU A1586 -6.652 -5.682 78.636 1.00 67.19 O ATOM 858 H GLU A1586 -4.018 -2.701 80.235 1.00 0.00 H ATOM 859 N SER A1587 -3.814 -0.172 79.083 1.00 39.81 N ATOM 860 CA SER A1587 -3.780 1.271 79.067 1.00 40.13 C ATOM 861 C SER A1587 -2.942 1.802 77.904 1.00 38.89 C ATOM 862 O SER A1587 -1.944 1.188 77.488 1.00 36.72 O ATOM 863 CB SER A1587 -3.205 1.755 80.395 1.00 38.44 C ATOM 864 OG SER A1587 -2.974 3.133 80.353 1.00 39.00 O ATOM 865 HG SER A1587 -2.602 3.431 81.221 1.00 0.00 H ATOM 866 H SER A1587 -3.532 -0.675 79.948 1.00 0.00 H ATOM 867 N GLN A1588 -3.325 2.999 77.424 1.00 38.35 N ATOM 868 CA GLN A1588 -2.543 3.682 76.395 1.00 40.04 C ATOM 869 C GLN A1588 -1.128 4.032 76.878 1.00 36.98 C ATOM 870 O GLN A1588 -0.198 4.079 76.062 1.00 36.07 O ATOM 871 CB GLN A1588 -3.268 4.940 75.906 1.00 43.05 C ATOM 872 CG GLN A1588 -2.610 5.593 74.648 1.00 46.90 C ATOM 873 CD GLN A1588 -2.146 4.578 73.550 1.00 49.60 C ATOM 874 OE1 GLN A1588 -2.971 3.936 72.891 1.00 52.36 O ATOM 875 NE2 GLN A1588 -0.815 4.439 73.372 1.00 49.09 N ATOM 876 HE22 GLN A1588 -0.152 4.998 73.947 1.00 0.00 H ATOM 877 HE21 GLN A1588 -0.452 3.773 72.660 1.00 0.00 H ATOM 878 H GLN A1588 -4.190 3.445 77.790 1.00 0.00 H ATOM 879 N TYR A1589 -0.942 4.299 78.179 1.00 35.57 N ATOM 880 CA TYR A1589 0.419 4.535 78.688 1.00 35.17 C ATOM 881 C TYR A1589 1.284 3.299 78.506 1.00 32.39 C ATOM 882 O TYR A1589 2.477 3.403 78.205 1.00 30.73 O ATOM 883 CB TYR A1589 0.405 4.905 80.175 1.00 37.12 C ATOM 884 CG TYR A1589 -0.258 6.224 80.511 1.00 39.54 C ATOM 885 CD1 TYR A1589 0.386 7.427 80.270 1.00 39.97 C ATOM 886 CD2 TYR A1589 -1.525 6.257 81.077 1.00 41.45 C ATOM 887 CE1 TYR A1589 -0.223 8.633 80.563 1.00 41.69 C ATOM 888 CE2 TYR A1589 -2.144 7.463 81.392 1.00 42.29 C ATOM 889 CZ TYR A1589 -1.471 8.643 81.128 1.00 42.47 C ATOM 890 OH TYR A1589 -2.054 9.828 81.418 1.00 44.59 O ATOM 891 HH TYR A1589 -2.246 9.871 82.388 1.00 0.00 H ATOM 892 H TYR A1589 -1.756 4.339 78.825 1.00 0.00 H ATOM 893 N THR A1590 0.694 2.108 78.740 1.00 31.64 N ATOM 894 CA THR A1590 1.446 0.869 78.661 1.00 31.45 C ATOM 895 C THR A1590 1.779 0.542 77.214 1.00 32.87 C ATOM 896 O THR A1590 2.888 0.091 76.918 1.00 33.67 O ATOM 897 CB THR A1590 0.650 -0.276 79.342 1.00 32.02 C ATOM 898 OG1 THR A1590 0.523 -0.004 80.748 1.00 33.00 O ATOM 899 CG2 THR A1590 1.313 -1.673 79.137 1.00 31.35 C ATOM 900 HG1 THR A1590 0.015 -0.736 81.180 1.00 0.00 H ATOM 901 H THR A1590 -0.317 2.077 78.981 1.00 0.00 H ATOM 902 N LYS A1591 0.850 0.796 76.288 1.00 34.39 N ATOM 903 CA LYS A1591 1.185 0.569 74.885 1.00 37.52 C ATOM 904 C LYS A1591 2.332 1.468 74.457 1.00 34.36 C ATOM 905 O LYS A1591 3.220 1.032 73.720 1.00 32.56 O ATOM 906 CB LYS A1591 -0.027 0.787 73.997 1.00 41.44 C ATOM 907 CG LYS A1591 -1.215 0.020 74.546 1.00 48.07 C ATOM 908 CD LYS A1591 -1.734 -1.048 73.599 1.00 53.32 C ATOM 909 CE LYS A1591 -3.228 -0.817 73.399 1.00 59.34 C ATOM 910 NZ LYS A1591 -3.493 0.655 73.488 1.00 59.68 N ATOM 911 HZ1 LYS A1591 -3.200 1.003 74.423 1.00 0.00 H ATOM 912 HZ2 LYS A1591 -2.953 1.148 72.749 1.00 0.00 H ATOM 913 HZ3 LYS A1591 -4.509 0.832 73.354 1.00 0.00 H ATOM 914 H LYS A1591 -0.090 1.147 76.560 1.00 0.00 H ATOM 915 N THR A1592 2.338 2.723 74.926 1.00 32.66 N ATOM 916 CA THR A1592 3.437 3.622 74.588 1.00 31.86 C ATOM 917 C THR A1592 4.747 3.137 75.222 1.00 31.79 C ATOM 918 O THR A1592 5.779 3.096 74.561 1.00 31.49 O ATOM 919 CB THR A1592 3.079 5.044 75.029 1.00 32.92 C ATOM 920 OG1 THR A1592 1.938 5.487 74.281 1.00 34.36 O ATOM 921 CG2 THR A1592 4.242 6.039 74.848 1.00 30.76 C ATOM 922 HG1 THR A1592 2.155 5.480 73.315 1.00 0.00 H ATOM 923 H THR A1592 1.560 3.056 75.530 1.00 0.00 H ATOM 924 N ALA A1593 4.715 2.725 76.489 1.00 31.43 N ATOM 925 CA ALA A1593 5.928 2.189 77.093 1.00 31.50 C ATOM 926 C ALA A1593 6.369 0.913 76.394 1.00 31.39 C ATOM 927 O ALA A1593 7.575 0.675 76.272 1.00 30.75 O ATOM 928 CB ALA A1593 5.730 1.947 78.595 1.00 31.28 C ATOM 929 H ALA A1593 3.835 2.785 77.040 1.00 0.00 H ATOM 930 N GLN A1594 5.424 0.107 75.880 1.00 31.02 N ATOM 931 CA GLN A1594 5.836 -1.093 75.144 1.00 32.63 C ATOM 932 C GLN A1594 6.544 -0.739 73.829 1.00 32.09 C ATOM 933 O GLN A1594 7.531 -1.391 73.443 1.00 30.05 O ATOM 934 CB GLN A1594 4.632 -2.001 74.889 1.00 32.29 C ATOM 935 CG GLN A1594 4.260 -2.816 76.097 1.00 32.70 C ATOM 936 CD GLN A1594 3.173 -3.820 75.806 1.00 34.76 C ATOM 937 OE1 GLN A1594 2.010 -3.450 75.636 1.00 34.32 O ATOM 938 NE2 GLN A1594 3.546 -5.104 75.733 1.00 37.29 N ATOM 939 HE22 GLN A1594 4.541 -5.366 75.884 1.00 0.00 H ATOM 940 HE21 GLN A1594 2.841 -5.839 75.525 1.00 0.00 H ATOM 941 H GLN A1594 4.416 0.331 76.002 1.00 0.00 H ATOM 942 N GLU A1595 6.063 0.292 73.134 1.00 32.72 N ATOM 943 CA GLU A1595 6.784 0.772 71.964 1.00 37.90 C ATOM 944 C GLU A1595 8.167 1.309 72.347 1.00 34.00 C ATOM 945 O GLU A1595 9.160 1.040 71.657 1.00 32.00 O ATOM 946 CB GLU A1595 5.973 1.852 71.253 1.00 43.48 C ATOM 947 CG GLU A1595 6.711 2.381 70.057 1.00 50.43 C ATOM 948 CD GLU A1595 7.033 1.274 69.030 1.00 57.51 C ATOM 949 OE1 GLU A1595 6.418 0.173 69.088 1.00 63.11 O ATOM 950 OE2 GLU A1595 7.892 1.505 68.155 1.00 59.46 O ATOM 951 H GLU A1595 5.177 0.751 73.426 1.00 0.00 H ATOM 952 N ILE A1596 8.259 2.050 73.452 1.00 32.79 N ATOM 953 CA ILE A1596 9.567 2.516 73.917 1.00 33.14 C ATOM 954 C ILE A1596 10.505 1.324 74.148 1.00 33.28 C ATOM 955 O ILE A1596 11.637 1.280 73.643 1.00 34.16 O ATOM 956 CB ILE A1596 9.422 3.367 75.194 1.00 32.32 C ATOM 957 CG1 ILE A1596 8.761 4.727 74.919 1.00 31.73 C ATOM 958 CG2 ILE A1596 10.788 3.547 75.828 1.00 33.09 C ATOM 959 CD1 ILE A1596 8.405 5.462 76.252 1.00 31.99 C ATOM 960 H ILE A1596 7.400 2.297 73.984 1.00 0.00 H ATOM 961 N VAL A1597 10.044 0.334 74.918 1.00 33.45 N ATOM 962 CA VAL A1597 10.842 -0.864 75.155 1.00 31.78 C ATOM 963 C VAL A1597 11.125 -1.587 73.842 1.00 31.60 C ATOM 964 O VAL A1597 12.272 -1.990 73.573 1.00 32.33 O ATOM 965 CB VAL A1597 10.137 -1.787 76.188 1.00 32.61 C ATOM 966 CG1 VAL A1597 10.749 -3.192 76.219 1.00 31.74 C ATOM 967 CG2 VAL A1597 10.205 -1.165 77.619 1.00 31.30 C ATOM 968 H VAL A1597 9.104 0.419 75.354 1.00 0.00 H ATOM 969 N ASN A1598 10.101 -1.751 72.982 1.00 31.37 N ATOM 970 CA ASN A1598 10.331 -2.578 71.799 1.00 32.10 C ATOM 971 C ASN A1598 11.325 -1.904 70.862 1.00 32.79 C ATOM 972 O ASN A1598 12.236 -2.562 70.349 1.00 32.30 O ATOM 973 CB ASN A1598 9.003 -2.926 71.079 1.00 31.17 C ATOM 974 CG ASN A1598 8.121 -3.853 71.913 1.00 31.88 C ATOM 975 OD1 ASN A1598 8.599 -4.438 72.914 1.00 30.00 O ATOM 976 ND2 ASN A1598 6.800 -3.977 71.534 1.00 30.64 N ATOM 977 HD22 ASN A1598 6.450 -3.471 70.695 1.00 0.00 H ATOM 978 HD21 ASN A1598 6.154 -4.576 72.087 1.00 0.00 H ATOM 979 H ASN A1598 9.178 -1.304 73.154 1.00 0.00 H ATOM 980 N VAL A1599 11.199 -0.588 70.655 1.00 32.46 N ATOM 981 CA VAL A1599 12.133 0.032 69.721 1.00 32.78 C ATOM 982 C VAL A1599 13.547 0.056 70.312 1.00 33.91 C ATOM 983 O VAL A1599 14.526 0.030 69.572 1.00 33.85 O ATOM 984 CB VAL A1599 11.674 1.433 69.312 1.00 33.39 C ATOM 985 CG1 VAL A1599 11.982 2.463 70.412 1.00 33.51 C ATOM 986 CG2 VAL A1599 12.313 1.827 67.939 1.00 34.96 C ATOM 987 H VAL A1599 10.466 -0.031 71.139 1.00 0.00 H ATOM 988 N CYS A1600 13.677 0.061 71.642 1.00 34.54 N ATOM 989 CA CYS A1600 15.004 -0.019 72.267 1.00 35.56 C ATOM 990 C CYS A1600 15.677 -1.360 71.968 1.00 36.18 C ATOM 991 O CYS A1600 16.825 -1.391 71.495 1.00 35.75 O ATOM 992 CB CYS A1600 14.885 0.198 73.781 1.00 36.70 C ATOM 993 SG CYS A1600 16.479 0.049 74.666 1.00 41.25 S ATOM 994 H CYS A1600 12.829 0.122 72.241 1.00 0.00 H ATOM 995 N TYR A1601 14.984 -2.488 72.264 1.00 34.72 N ATOM 996 CA TYR A1601 15.511 -3.814 71.907 1.00 35.26 C ATOM 997 C TYR A1601 15.897 -3.890 70.427 1.00 35.67 C ATOM 998 O TYR A1601 16.955 -4.432 70.086 1.00 35.89 O ATOM 999 CB TYR A1601 14.507 -4.943 72.212 1.00 34.13 C ATOM 1000 CG TYR A1601 14.612 -5.482 73.609 1.00 35.71 C ATOM 1001 CD1 TYR A1601 15.672 -6.304 73.991 1.00 36.57 C ATOM 1002 CD2 TYR A1601 13.646 -5.202 74.532 1.00 34.54 C ATOM 1003 CE1 TYR A1601 15.767 -6.804 75.281 1.00 36.71 C ATOM 1004 CE2 TYR A1601 13.730 -5.681 75.836 1.00 35.95 C ATOM 1005 CZ TYR A1601 14.782 -6.483 76.211 1.00 36.76 C ATOM 1006 OH TYR A1601 14.822 -6.957 77.522 1.00 37.29 O ATOM 1007 HH TYR A1601 15.630 -7.516 77.645 1.00 0.00 H ATOM 1008 H TYR A1601 14.068 -2.414 72.750 1.00 0.00 H ATOM 1009 N GLN A1602 15.010 -3.422 69.536 1.00 33.98 N ATOM 1010 CA GLN A1602 15.271 -3.508 68.100 1.00 36.81 C ATOM 1011 C GLN A1602 16.578 -2.789 67.720 1.00 37.51 C ATOM 1012 O GLN A1602 17.412 -3.339 66.991 1.00 37.03 O ATOM 1013 CB GLN A1602 14.088 -2.933 67.317 1.00 38.35 C ATOM 1014 CG GLN A1602 14.388 -2.893 65.788 1.00 40.94 C ATOM 1015 CD GLN A1602 14.608 -4.284 65.193 1.00 43.92 C ATOM 1016 OE1 GLN A1602 14.049 -5.278 65.666 1.00 45.57 O ATOM 1017 NE2 GLN A1602 15.436 -4.360 64.153 1.00 44.79 N ATOM 1018 HE22 GLN A1602 15.887 -3.499 63.784 1.00 0.00 H ATOM 1019 HE21 GLN A1602 15.631 -5.280 63.710 1.00 0.00 H ATOM 1020 H GLN A1602 14.124 -2.992 69.871 1.00 0.00 H ATOM 1021 N THR A1603 16.768 -1.559 68.215 1.00 36.34 N ATOM 1022 CA THR A1603 17.967 -0.781 67.910 1.00 38.14 C ATOM 1023 C THR A1603 19.225 -1.453 68.462 1.00 38.97 C ATOM 1024 O THR A1603 20.232 -1.584 67.763 1.00 40.31 O ATOM 1025 CB THR A1603 17.809 0.631 68.490 1.00 38.68 C ATOM 1026 OG1 THR A1603 16.566 1.190 68.031 1.00 38.13 O ATOM 1027 CG2 THR A1603 18.972 1.559 68.078 1.00 38.78 C ATOM 1028 HG1 THR A1603 15.817 0.618 68.334 1.00 0.00 H ATOM 1029 H THR A1603 16.042 -1.146 68.834 1.00 0.00 H ATOM 1030 N LEU A1604 19.182 -1.899 69.719 1.00 39.99 N ATOM 1031 CA LEU A1604 20.298 -2.672 70.256 1.00 41.42 C ATOM 1032 C LEU A1604 20.616 -3.837 69.355 1.00 44.26 C ATOM 1033 O LEU A1604 21.791 -4.136 69.118 1.00 44.69 O ATOM 1034 CB LEU A1604 19.988 -3.196 71.655 1.00 38.80 C ATOM 1035 CG LEU A1604 19.856 -2.142 72.741 1.00 37.46 C ATOM 1036 CD1 LEU A1604 19.503 -2.827 74.025 1.00 37.03 C ATOM 1037 CD2 LEU A1604 21.108 -1.341 72.866 1.00 37.47 C ATOM 1038 H LEU A1604 18.354 -1.696 70.315 1.00 0.00 H ATOM 1039 N THR A1605 19.571 -4.508 68.849 1.00 45.16 N ATOM 1040 CA THR A1605 19.749 -5.643 67.940 1.00 49.01 C ATOM 1041 C THR A1605 20.471 -5.233 66.657 1.00 49.87 C ATOM 1042 O THR A1605 21.398 -5.915 66.209 1.00 50.19 O ATOM 1043 CB THR A1605 18.380 -6.270 67.616 1.00 49.00 C ATOM 1044 OG1 THR A1605 18.079 -7.296 68.578 1.00 48.96 O ATOM 1045 CG2 THR A1605 18.374 -6.870 66.211 1.00 51.31 C ATOM 1046 HG1 THR A1605 17.199 -7.697 68.367 1.00 0.00 H ATOM 1047 H THR A1605 18.608 -4.215 69.109 1.00 0.00 H ATOM 1048 N GLU A1606 20.071 -4.109 66.063 1.00 51.20 N ATOM 1049 CA GLU A1606 20.711 -3.629 64.838 1.00 54.69 C ATOM 1050 C GLU A1606 22.157 -3.195 65.075 1.00 55.12 C ATOM 1051 O GLU A1606 22.976 -3.228 64.145 1.00 55.19 O ATOM 1052 CB GLU A1606 19.881 -2.482 64.243 1.00 56.44 C ATOM 1053 CG GLU A1606 18.509 -2.958 63.693 1.00 59.13 C ATOM 1054 CD GLU A1606 17.520 -1.823 63.345 1.00 60.95 C ATOM 1055 OE1 GLU A1606 16.457 -2.142 62.731 1.00 61.19 O ATOM 1056 OE2 GLU A1606 17.794 -0.633 63.684 1.00 61.07 O ATOM 1057 H GLU A1606 19.289 -3.563 66.478 1.00 0.00 H ATOM 1058 N TYR A1607 22.488 -2.777 66.300 1.00 55.02 N ATOM 1059 CA TYR A1607 23.854 -2.447 66.677 1.00 56.69 C ATOM 1060 C TYR A1607 24.569 -3.611 67.355 1.00 57.16 C ATOM 1061 O TYR A1607 25.590 -3.383 67.997 1.00 56.87 O ATOM 1062 CB TYR A1607 23.887 -1.240 67.619 1.00 57.63 C ATOM 1063 CG TYR A1607 23.258 0.029 67.096 1.00 58.60 C ATOM 1064 CD1 TYR A1607 22.776 0.111 65.798 1.00 60.15 C ATOM 1065 CD2 TYR A1607 23.152 1.155 67.910 1.00 59.46 C ATOM 1066 CE1 TYR A1607 22.199 1.289 65.309 1.00 60.45 C ATOM 1067 CE2 TYR A1607 22.581 2.334 67.448 1.00 59.47 C ATOM 1068 CZ TYR A1607 22.104 2.401 66.137 1.00 61.28 C ATOM 1069 OH TYR A1607 21.524 3.568 65.647 1.00 64.51 O ATOM 1070 HH TYR A1607 21.248 3.428 64.707 1.00 0.00 H ATOM 1071 H TYR A1607 21.738 -2.684 67.014 1.00 0.00 H ATOM 1072 N ASP A1608 24.060 -4.846 67.235 1.00 58.13 N ATOM 1073 CA ASP A1608 24.549 -5.923 68.104 1.00 60.54 C ATOM 1074 C ASP A1608 26.054 -6.166 67.944 1.00 62.47 C ATOM 1075 O ASP A1608 26.758 -6.412 68.934 1.00 61.59 O ATOM 1076 CB ASP A1608 23.771 -7.218 67.847 1.00 61.13 C ATOM 1077 CG ASP A1608 24.350 -8.415 68.607 1.00 63.32 C ATOM 1078 OD1 ASP A1608 24.419 -8.381 69.861 1.00 62.69 O ATOM 1079 OD2 ASP A1608 24.753 -9.394 67.938 1.00 65.49 O ATOM 1080 H ASP A1608 23.322 -5.040 66.529 1.00 0.00 H ATOM 1081 N GLU A1609 26.573 -6.103 66.718 1.00 65.58 N ATOM 1082 CA GLU A1609 27.975 -6.485 66.525 1.00 71.05 C ATOM 1083 C GLU A1609 28.924 -5.487 67.185 1.00 68.23 C ATOM 1084 O GLU A1609 29.820 -5.882 67.942 1.00 66.85 O ATOM 1085 CB GLU A1609 28.292 -6.641 65.037 1.00 79.03 C ATOM 1086 CG GLU A1609 27.463 -7.730 64.348 1.00 88.53 C ATOM 1087 CD GLU A1609 27.793 -9.158 64.817 1.00 96.20 C ATOM 1088 OE1 GLU A1609 28.924 -9.398 65.312 1.00 99.95 O ATOM 1089 OE2 GLU A1609 26.913 -10.045 64.677 1.00 96.35 O ATOM 1090 H GLU A1609 25.994 -5.789 65.913 1.00 0.00 H ATOM 1091 N HIS A1610 28.746 -4.189 66.915 1.00 67.29 N ATOM 1092 CA HIS A1610 29.625 -3.199 67.527 1.00 68.72 C ATOM 1093 C HIS A1610 29.447 -3.159 69.045 1.00 62.35 C ATOM 1094 O HIS A1610 30.425 -2.927 69.771 1.00 60.98 O ATOM 1095 CB HIS A1610 29.386 -1.817 66.908 1.00 74.84 C ATOM 1096 CG HIS A1610 29.465 -1.811 65.409 1.00 83.18 C ATOM 1097 ND1 HIS A1610 28.364 -2.026 64.601 1.00 87.12 N ATOM 1098 CD2 HIS A1610 30.517 -1.642 64.570 1.00 87.77 C ATOM 1099 CE1 HIS A1610 28.733 -1.976 63.332 1.00 86.81 C ATOM 1100 NE2 HIS A1610 30.034 -1.750 63.286 1.00 87.53 N ATOM 1101 H HIS A1610 27.986 -3.888 66.273 1.00 0.00 H ATOM 1102 N LEU A1611 28.217 -3.406 69.539 1.00 56.66 N ATOM 1103 CA LEU A1611 27.955 -3.305 70.972 1.00 53.74 C ATOM 1104 C LEU A1611 28.546 -4.480 71.739 1.00 52.38 C ATOM 1105 O LEU A1611 28.987 -4.314 72.878 1.00 52.20 O ATOM 1106 CB LEU A1611 26.449 -3.197 71.244 1.00 51.52 C ATOM 1107 CG LEU A1611 25.848 -1.815 70.999 1.00 50.12 C ATOM 1108 CD1 LEU A1611 24.376 -1.796 71.378 1.00 48.92 C ATOM 1109 CD2 LEU A1611 26.612 -0.738 71.763 1.00 50.64 C ATOM 1110 H LEU A1611 27.447 -3.671 68.893 1.00 0.00 H ATOM 1111 N THR A1612 28.526 -5.683 71.164 1.00 52.72 N ATOM 1112 CA THR A1612 29.237 -6.789 71.794 1.00 54.57 C ATOM 1113 C THR A1612 30.732 -6.486 71.865 1.00 57.05 C ATOM 1114 O THR A1612 31.386 -6.754 72.880 1.00 57.36 O ATOM 1115 CB THR A1612 28.998 -8.085 71.019 1.00 55.33 C ATOM 1116 OG1 THR A1612 27.614 -8.439 71.103 1.00 53.50 O ATOM 1117 CG2 THR A1612 29.850 -9.222 71.593 1.00 56.68 C ATOM 1118 HG1 THR A1612 27.065 -7.713 70.713 1.00 0.00 H ATOM 1119 H THR A1612 28.008 -5.831 70.274 1.00 0.00 H ATOM 1120 N GLN A1613 31.274 -5.911 70.787 1.00 59.04 N ATOM 1121 CA GLN A1613 32.677 -5.511 70.728 1.00 61.60 C ATOM 1122 C GLN A1613 33.017 -4.578 71.883 1.00 59.66 C ATOM 1123 O GLN A1613 33.922 -4.853 72.672 1.00 59.93 O ATOM 1124 CB GLN A1613 32.951 -4.837 69.375 1.00 65.30 C ATOM 1125 CG GLN A1613 34.406 -4.621 69.042 1.00 70.48 C ATOM 1126 CD GLN A1613 35.220 -5.900 69.186 1.00 75.39 C ATOM 1127 OE1 GLN A1613 34.942 -6.907 68.531 1.00 76.73 O ATOM 1128 NE2 GLN A1613 36.224 -5.870 70.067 1.00 78.74 N ATOM 1129 HE22 GLN A1613 36.424 -4.999 70.598 1.00 0.00 H ATOM 1130 HE21 GLN A1613 36.806 -6.718 70.221 1.00 0.00 H ATOM 1131 H GLN A1613 30.672 -5.742 69.956 1.00 0.00 H ATOM 1132 N LEU A1614 32.261 -3.476 72.004 1.00 57.20 N ATOM 1133 CA LEU A1614 32.473 -2.493 73.067 1.00 56.17 C ATOM 1134 C LEU A1614 32.364 -3.125 74.451 1.00 55.37 C ATOM 1135 O LEU A1614 33.202 -2.881 75.325 1.00 54.98 O ATOM 1136 CB LEU A1614 31.441 -1.371 72.946 1.00 54.84 C ATOM 1137 CG LEU A1614 31.691 -0.224 71.981 1.00 56.89 C ATOM 1138 CD1 LEU A1614 30.507 0.741 71.980 1.00 55.02 C ATOM 1139 CD2 LEU A1614 33.000 0.496 72.345 1.00 57.88 C ATOM 1140 H LEU A1614 31.497 -3.315 71.317 1.00 0.00 H ATOM 1141 N GLU A1615 31.297 -3.896 74.683 1.00 54.19 N ATOM 1142 CA GLU A1615 31.108 -4.563 75.973 1.00 54.57 C ATOM 1143 C GLU A1615 32.333 -5.392 76.348 1.00 55.03 C ATOM 1144 O GLU A1615 32.891 -5.236 77.436 1.00 53.38 O ATOM 1145 CB GLU A1615 29.869 -5.443 75.916 1.00 55.52 C ATOM 1146 CG GLU A1615 28.613 -4.745 76.391 1.00 57.03 C ATOM 1147 CD GLU A1615 27.328 -5.372 75.852 1.00 57.63 C ATOM 1148 OE1 GLU A1615 27.389 -6.379 75.104 1.00 58.93 O ATOM 1149 OE2 GLU A1615 26.250 -4.832 76.165 1.00 57.08 O ATOM 1150 H GLU A1615 30.588 -4.025 73.933 1.00 0.00 H ATOM 1151 N LYS A1616 32.763 -6.284 75.453 1.00 56.97 N ATOM 1152 CA LYS A1616 33.964 -7.064 75.725 1.00 61.14 C ATOM 1153 C LYS A1616 35.157 -6.166 76.050 1.00 60.99 C ATOM 1154 O LYS A1616 35.942 -6.470 76.954 1.00 61.86 O ATOM 1155 CB LYS A1616 34.288 -7.980 74.545 1.00 65.14 C ATOM 1156 CG LYS A1616 35.792 -8.259 74.408 1.00 70.67 C ATOM 1157 CD LYS A1616 36.093 -9.743 74.212 1.00 74.83 C ATOM 1158 CE LYS A1616 37.596 -9.998 74.021 1.00 81.39 C ATOM 1159 NZ LYS A1616 37.947 -10.197 72.572 1.00 82.95 N ATOM 1160 HZ1 LYS A1616 37.426 -11.016 72.200 1.00 0.00 H ATOM 1161 HZ2 LYS A1616 37.688 -9.346 72.034 1.00 0.00 H ATOM 1162 HZ3 LYS A1616 38.969 -10.366 72.484 1.00 0.00 H ATOM 1163 H LYS A1616 32.242 -6.422 74.563 1.00 0.00 H ATOM 1164 N ASP A1617 35.300 -5.042 75.348 1.00 60.39 N ATOM 1165 CA ASP A1617 36.499 -4.226 75.540 1.00 62.72 C ATOM 1166 C ASP A1617 36.411 -3.335 76.775 1.00 59.75 C ATOM 1167 O ASP A1617 37.452 -2.972 77.340 1.00 59.11 O ATOM 1168 CB ASP A1617 36.785 -3.402 74.284 1.00 65.95 C ATOM 1169 CG ASP A1617 37.435 -4.240 73.189 1.00 71.76 C ATOM 1170 OD1 ASP A1617 38.257 -5.128 73.550 1.00 78.22 O ATOM 1171 OD2 ASP A1617 37.140 -4.025 71.988 1.00 71.01 O ATOM 1172 H ASP A1617 34.567 -4.748 74.671 1.00 0.00 H ATOM 1173 N ILE A1618 35.202 -2.984 77.219 1.00 56.49 N ATOM 1174 CA ILE A1618 35.067 -2.332 78.517 1.00 56.53 C ATOM 1175 C ILE A1618 35.526 -3.274 79.629 1.00 60.69 C ATOM 1176 O ILE A1618 36.215 -2.858 80.573 1.00 60.91 O ATOM 1177 CB ILE A1618 33.619 -1.856 78.729 1.00 52.80 C ATOM 1178 CG1 ILE A1618 33.342 -0.579 77.931 1.00 51.40 C ATOM 1179 CG2 ILE A1618 33.289 -1.691 80.213 1.00 51.38 C ATOM 1180 CD1 ILE A1618 31.838 -0.397 77.618 1.00 47.52 C ATOM 1181 H ILE A1618 34.359 -3.175 76.641 1.00 0.00 H ATOM 1182 N CYS A1619 35.176 -4.562 79.522 1.00 63.75 N ATOM 1183 CA CYS A1619 35.625 -5.548 80.506 1.00 68.28 C ATOM 1184 C CYS A1619 37.138 -5.649 80.521 1.00 71.84 C ATOM 1185 O CYS A1619 37.766 -5.538 81.575 1.00 73.36 O ATOM 1186 CB CYS A1619 35.021 -6.924 80.218 1.00 70.76 C ATOM 1187 SG CYS A1619 33.300 -7.112 80.743 1.00 72.01 S ATOM 1188 H CYS A1619 34.577 -4.866 78.728 1.00 0.00 H ATOM 1189 N THR A1620 37.743 -5.874 79.348 1.00 74.11 N ATOM 1190 CA THR A1620 39.190 -6.061 79.278 1.00 77.12 C ATOM 1191 C THR A1620 39.926 -4.860 79.861 1.00 75.09 C ATOM 1192 O THR A1620 40.956 -5.022 80.514 1.00 76.57 O ATOM 1193 CB THR A1620 39.625 -6.337 77.833 1.00 81.97 C ATOM 1194 OG1 THR A1620 39.423 -5.170 77.027 1.00 84.99 O ATOM 1195 CG2 THR A1620 38.808 -7.491 77.237 1.00 81.76 C ATOM 1196 HG1 THR A1620 38.464 -4.925 77.037 1.00 0.00 H ATOM 1197 H THR A1620 37.176 -5.916 78.477 1.00 0.00 H ATOM 1198 N ALA A1621 39.396 -3.651 79.672 1.00 72.22 N ATOM 1199 CA ALA A1621 39.940 -2.491 80.375 1.00 72.37 C ATOM 1200 C ALA A1621 39.725 -2.586 81.891 1.00 73.79 C ATOM 1201 O ALA A1621 40.620 -2.227 82.663 1.00 74.81 O ATOM 1202 CB ALA A1621 39.339 -1.199 79.822 1.00 68.68 C ATOM 1203 H ALA A1621 38.593 -3.533 79.022 1.00 0.00 H ATOM 1204 N LYS A1622 38.553 -3.065 82.344 1.00 75.68 N ATOM 1205 CA LYS A1622 38.336 -3.258 83.782 1.00 80.27 C ATOM 1206 C LYS A1622 39.388 -4.191 84.384 1.00 84.49 C ATOM 1207 O LYS A1622 39.861 -3.967 85.507 1.00 84.87 O ATOM 1208 CB LYS A1622 36.932 -3.809 84.054 1.00 82.61 C ATOM 1209 CG LYS A1622 35.798 -2.769 84.072 1.00 84.27 C ATOM 1210 CD LYS A1622 34.406 -3.430 84.055 1.00 85.00 C ATOM 1211 CE LYS A1622 34.241 -4.430 85.217 1.00 87.87 C ATOM 1212 NZ LYS A1622 32.994 -5.270 85.134 1.00 87.52 N ATOM 1213 HZ1 LYS A1622 32.159 -4.650 85.142 1.00 0.00 H ATOM 1214 HZ2 LYS A1622 33.008 -5.823 84.253 1.00 0.00 H ATOM 1215 HZ3 LYS A1622 32.957 -5.915 85.949 1.00 0.00 H ATOM 1216 H LYS A1622 37.796 -3.300 81.671 1.00 0.00 H ATOM 1217 N GLU A1623 39.762 -5.247 83.655 1.00 86.51 N ATOM 1218 CA GLU A1623 40.747 -6.194 84.169 1.00 90.17 C ATOM 1219 C GLU A1623 42.144 -5.584 84.194 1.00 90.08 C ATOM 1220 O GLU A1623 42.865 -5.709 85.189 1.00 91.30 O ATOM 1221 CB GLU A1623 40.724 -7.470 83.336 1.00 92.70 C ATOM 1222 CG GLU A1623 40.003 -8.606 84.020 1.00 94.33 C ATOM 1223 CD GLU A1623 39.252 -9.493 83.044 1.00 95.14 C ATOM 1224 OE1 GLU A1623 37.998 -9.420 83.007 1.00 93.77 O ATOM 1225 OE2 GLU A1623 39.920 -10.257 82.308 1.00 98.05 O ATOM 1226 H GLU A1623 39.347 -5.395 82.713 1.00 0.00 H ATOM 1227 N ALA A1624 42.550 -4.924 83.107 1.00 89.72 N ATOM 1228 CA ALA A1624 43.819 -4.204 83.131 1.00 91.13 C ATOM 1229 C ALA A1624 43.895 -3.264 84.330 1.00 91.78 C ATOM 1230 O ALA A1624 44.961 -3.106 84.939 1.00 94.52 O ATOM 1231 CB ALA A1624 44.021 -3.436 81.825 1.00 90.53 C ATOM 1232 H ALA A1624 41.965 -4.923 82.247 1.00 0.00 H ATOM 1233 N ALA A1625 42.767 -2.646 84.699 1.00 89.53 N ATOM 1234 CA ALA A1625 42.740 -1.783 85.878 1.00 89.78 C ATOM 1235 C ALA A1625 43.019 -2.572 87.156 1.00 91.97 C ATOM 1236 O ALA A1625 43.678 -2.065 88.074 1.00 92.62 O ATOM 1237 CB ALA A1625 41.395 -1.065 85.979 1.00 86.59 C ATOM 1238 H ALA A1625 41.900 -2.781 84.141 1.00 0.00 H ATOM 1239 N LEU A1626 42.521 -3.813 87.234 1.00 93.36 N ATOM 1240 CA LEU A1626 42.759 -4.647 88.411 1.00 96.49 C ATOM 1241 C LEU A1626 44.199 -5.142 88.466 1.00104.04 C ATOM 1242 O LEU A1626 44.800 -5.188 89.544 1.00106.23 O ATOM 1243 CB LEU A1626 41.794 -5.830 88.425 1.00 92.69 C ATOM 1244 CG LEU A1626 40.665 -5.740 89.448 1.00 88.48 C ATOM 1245 CD1 LEU A1626 41.231 -5.763 90.858 1.00 89.17 C ATOM 1246 CD2 LEU A1626 39.806 -4.487 89.214 1.00 85.11 C ATOM 1247 H LEU A1626 41.957 -4.189 86.446 1.00 0.00 H ATOM 1248 N GLU A1627 44.768 -5.534 87.312 1.00109.42 N ATOM 1249 CA GLU A1627 46.175 -5.950 87.194 1.00116.41 C ATOM 1250 C GLU A1627 47.158 -4.790 87.444 1.00115.95 C ATOM 1251 O GLU A1627 48.373 -4.956 87.324 1.00119.08 O ATOM 1252 CB GLU A1627 46.436 -6.572 85.818 1.00122.53 C ATOM 1253 CG GLU A1627 45.486 -7.711 85.426 1.00126.18 C ATOM 1254 CD GLU A1627 45.729 -8.994 86.207 1.00131.86 C ATOM 1255 OE1 GLU A1627 45.259 -9.094 87.363 1.00132.74 O ATOM 1256 OE2 GLU A1627 46.393 -9.903 85.661 1.00135.23 O ATOM 1257 H GLU A1627 44.180 -5.544 86.454 1.00 0.00 H ATOM 1258 N GLU A1628 46.619 -3.609 87.739 1.00111.43 N ATOM 1259 CA GLU A1628 47.337 -2.533 88.407 1.00110.04 C ATOM 1260 C GLU A1628 47.182 -2.669 89.920 1.00107.40 C ATOM 1261 O GLU A1628 48.173 -2.700 90.664 1.00109.93 O ATOM 1262 CB GLU A1628 46.806 -1.178 87.915 1.00108.68 C ATOM 1263 CG GLU A1628 47.324 0.025 88.672 1.00110.08 C ATOM 1264 CD GLU A1628 48.199 0.919 87.806 1.00111.40 C ATOM 1265 OE1 GLU A1628 47.734 1.310 86.708 1.00109.70 O ATOM 1266 OE2 GLU A1628 49.354 1.217 88.220 1.00113.45 O ATOM 1267 H GLU A1628 45.626 -3.445 87.477 1.00 0.00 H ATOM 1268 N ALA A1629 45.934 -2.800 90.370 1.00101.90 N ATOM 1269 CA ALA A1629 45.590 -3.027 91.769 1.00100.05 C ATOM 1270 C ALA A1629 45.971 -4.439 92.242 1.00101.07 C ATOM 1271 O ALA A1629 47.147 -4.786 92.338 1.00103.34 O ATOM 1272 CB ALA A1629 44.086 -2.777 91.977 1.00 96.48 C ATOM 1273 H ALA A1629 45.158 -2.736 89.681 1.00 0.00 H TER 1274 ALA A1629 HETATM 1275 O HOH 1 2.596 6.053 71.707 1.00 46.86 O HETATM 1276 O HOH 2 16.772 -8.410 78.144 1.00 55.05 O HETATM 1277 O HOH 3 23.107 10.990 78.729 1.00 37.71 O HETATM 1278 O HOH 4 4.241 4.191 85.237 1.00 34.62 O HETATM 1279 O HOH 5 5.197 -4.362 87.301 1.00 33.96 O HETATM 1280 O HOH 6 10.921 5.780 67.758 1.00 40.77 O HETATM 1281 O HOH 7 21.565 12.109 72.458 1.00 46.89 O HETATM 1282 O HOH 8 8.361 4.553 85.913 1.00 35.72 O HETATM 1283 O HOH 9 5.133 -1.850 70.195 1.00 40.91 O HETATM 1284 O HOH 10 -3.792 5.664 84.338 1.00 52.61 O HETATM 1285 O HOH 11 -0.516 -4.292 75.926 1.00 32.98 O HETATM 1286 O HOH 12 6.406 12.199 84.082 1.00 38.26 O HETATM 1287 O HOH 13 2.716 -0.534 71.539 1.00 37.73 O HETATM 1288 O HOH 14 5.989 -0.693 92.912 1.00 52.33 O HETATM 1289 O HOH 15 26.691 -2.259 83.932 1.00 52.66 O HETATM 1290 O HOH 16 11.487 8.352 87.932 1.00 41.27 O HETATM 1291 O HOH 17 7.402 13.346 81.775 1.00 43.64 O HETATM 1292 O HOH 18 13.412 -8.915 78.934 1.00 38.43 O HETATM 1293 O HOH 19 26.580 4.123 80.555 1.00 39.39 O HETATM 1294 O HOH 20 7.081 -4.822 75.312 1.00 36.36 O HETATM 1295 O HOH 21 6.560 4.060 83.784 1.00 34.91 O HETATM 1296 O HOH 22 36.482 2.233 78.673 1.00 44.55 O HETATM 1297 O HOH 23 14.043 12.847 78.795 1.00 45.27 O HETATM 1298 O HOH 24 -3.784 9.819 83.749 1.00 54.82 O HETATM 1299 O HOH 25 9.124 -5.092 81.730 1.00 47.27 O HETATM 1300 O HOH 26 13.539 -6.636 68.252 1.00 39.80 O HETATM 1301 O HOH 27 5.592 12.997 73.187 1.00 40.61 O HETATM 1302 C4 MOL A 28 4.558 7.321 83.382 1.00 0.08 C HETATM 1303 C3 MOL A 28 5.573 7.477 84.450 1.00 -0.07 C HETATM 1304 C2 MOL A 28 6.711 8.010 84.122 1.00 -0.10 C HETATM 1305 C1 MOL A 28 7.769 8.201 85.176 1.00 -0.05 C HETATM 1306 H7 MOL A 28 8.659 8.662 84.723 1.00 0.04 H HETATM 1307 H8 MOL A 28 8.040 7.225 85.605 1.00 0.04 H HETATM 1308 H9 MOL A 28 7.381 8.856 85.970 1.00 0.04 H HETATM 1309 H10 MOL A 28 6.898 8.316 83.094 1.00 0.04 H HETATM 1310 H6 MOL A 28 5.372 7.157 85.471 1.00 0.05 H HETATM 1311 N5 MOL A 28 3.296 7.995 83.715 1.00 -0.20 N HETATM 1312 C14 MOL A 28 2.232 7.222 84.016 1.00 0.24 C HETATM 1313 C13 MOL A 28 0.976 7.787 84.308 1.00 0.13 C HETATM 1314 C8 MOL A 28 0.838 9.186 84.262 1.00 -0.04 C HETATM 1315 C7 MOL A 28 2.023 10.003 83.921 1.00 -0.02 C HETATM 1316 C6 MOL A 28 3.204 9.362 83.665 1.00 0.06 C HETATM 1317 H3 MOL A 28 4.088 9.948 83.417 1.00 0.11 H HETATM 1318 C16 MOL A 28 1.934 11.498 83.884 1.00 -0.04 C HETATM 1319 C17 MOL A 28 0.805 12.176 83.386 1.00 -0.06 C HETATM 1320 C18 MOL A 28 0.757 13.571 83.389 1.00 -0.07 C HETATM 1321 C19 MOL A 28 1.830 14.292 83.920 1.00 -0.05 C HETATM 1322 C20 MOL A 28 2.967 13.629 84.411 1.00 0.04 C HETATM 1323 C21 MOL A 28 3.007 12.231 84.405 1.00 -0.05 C HETATM 1324 H15 MOL A 28 3.871 11.713 84.805 1.00 0.06 H HETATM 1325 C22 MOL A 28 4.126 14.357 84.994 1.00 0.20 C HETATM 1326 O23 MOL A 28 4.362 14.268 86.195 1.00 -0.38 O HETATM 1327 N24 MOL A 28 4.946 15.123 84.272 1.00 -0.28 N HETATM 1328 C25 MOL A 28 6.073 15.763 84.982 1.00 0.02 C HETATM 1329 H16 MOL A 28 6.663 16.360 84.271 1.00 0.05 H HETATM 1330 H17 MOL A 28 6.713 14.988 85.428 1.00 0.05 H HETATM 1331 H18 MOL A 28 5.683 16.418 85.775 1.00 0.05 H HETATM 1332 C26 MOL A 28 4.760 15.268 82.826 1.00 0.02 C HETATM 1333 H19 MOL A 28 3.864 14.711 82.514 1.00 0.05 H HETATM 1334 H20 MOL A 28 5.641 14.869 82.301 1.00 0.05 H HETATM 1335 H21 MOL A 28 4.636 16.332 82.577 1.00 0.05 H HETATM 1336 H14 MOL A 28 1.784 15.374 83.953 1.00 0.06 H HETATM 1337 H13 MOL A 28 -0.104 14.090 82.984 1.00 0.06 H HETATM 1338 H12 MOL A 28 -0.034 11.610 82.997 1.00 0.06 H HETATM 1339 C9 MOL A 28 -0.521 9.453 84.591 1.00 -0.07 C HETATM 1340 C10 MOL A 28 -1.159 8.270 84.806 1.00 0.02 C HETATM 1341 N11 MOL A 28 -0.261 7.258 84.631 1.00 -0.28 N HETATM 1342 H11 MOL A 28 -0.472 6.254 84.725 1.00 0.23 H HETATM 1343 H5 MOL A 28 -2.208 8.152 85.073 1.00 0.09 H HETATM 1344 H4 MOL A 28 -0.975 10.440 84.659 1.00 0.03 H HETATM 1345 O15 MOL A 28 2.357 6.012 84.056 1.00 -0.41 O HETATM 1346 H1 MOL A 28 4.359 6.249 83.236 1.00 0.08 H HETATM 1347 H2 MOL A 28 4.955 7.751 82.451 1.00 0.08 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1302 1303 1311 1346 1347 CONECT 1303 1302 1304 1310 CONECT 1304 1303 1305 1309 CONECT 1305 1304 1306 1307 1308 CONECT 1306 1305 CONECT 1307 1305 CONECT 1308 1305 CONECT 1309 1304 CONECT 1310 1303 CONECT 1311 1302 1312 1316 CONECT 1312 1311 1313 1345 CONECT 1313 1312 1314 1341 CONECT 1314 1313 1315 1339 CONECT 1315 1314 1316 1318 CONECT 1316 1311 1315 1317 CONECT 1317 1316 CONECT 1318 1315 1319 1323 CONECT 1319 1318 1320 1338 CONECT 1320 1319 1321 1337 CONECT 1321 1320 1322 1336 CONECT 1322 1321 1323 1325 CONECT 1323 1318 1322 1324 CONECT 1324 1323 CONECT 1325 1322 1326 1327 CONECT 1326 1325 CONECT 1327 1325 1328 1332 CONECT 1328 1327 1329 1330 1331 CONECT 1329 1328 CONECT 1330 1328 CONECT 1331 1328 CONECT 1332 1327 1333 1334 1335 CONECT 1333 1332 CONECT 1334 1332 CONECT 1335 1332 CONECT 1336 1321 CONECT 1337 1320 CONECT 1338 1319 CONECT 1339 1314 1340 1344 CONECT 1340 1339 1341 1343 CONECT 1341 1313 1340 1342 CONECT 1342 1341 CONECT 1343 1340 CONECT 1344 1339 CONECT 1345 1312 CONECT 1346 1302 CONECT 1347 1302 MASTER 0 0 0 0 0 0 0 0 1346 1 50 10 END
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Related entries of code: 6bqd
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
144aa, >5I1Q_1|Chain... at 100%
5i29
RCSB PDB
PDBbind
144aa, >5I29_1|Chain... at 100%
5mg2
RCSB PDB
PDBbind
137aa, >5MG2_1|Chain... at 98%
6df4
RCSB PDB
PDBbind
167aa, >6DF4_1|Chain... *
6df7
RCSB PDB
PDBbind
167aa, >6DF7_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5i7y
RCSB PDB
PDBbind
69G
5i88
RCSB PDB
PDBbind
69G
Entry Information
PDB ID
6bqd
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Transcription initiation factor TFIID subunit 1
Ligand Name
69G
EC.Number
E.C.2.3.1.48 ;2.7.11.1
Resolution
2.14(Å)
Affinity (Kd/Ki/IC50)
IC50=0.41uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J. Comput. Aided Mol. Des. Vol. 33: pp. 307-330
Ligand Properties
Formula
C
2
0
H
2
1
N
3
O
2
Molecular Weight
335.400
Exact Mass
335.163
No. of atoms
46
No. of bonds
48
Polar Surface Area
58.1
LOGP Value
2.15 (
Computed with XLOGP3
)
3.27 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
C/C=C/Cn1cc(c2cccc(c2)C(=O)N(C)C)c2c(c1=O)[nH]cc2
InChI String
InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4-10,12-13,21H,11H2,1-3H3/b5-4+
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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