Browse entries in the PDBbind-CN Database
HEADER 6DF7_COMPLEX COMPND 6DF7_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 135 ASP ASP ASP GLN VAL ALA PHE SER PHE ILE LEU ASP ASN SEQRES 2 A 135 ILE VAL THR GLN LYS MET MET ALA VAL PRO ASP SER TRP SEQRES 3 A 135 PRO PHE HIS HIS PRO VAL ASN LYS LYS PHE VAL PRO ASP SEQRES 4 A 135 TYR TYR LYS VAL ILE VAL ASN PRO MET ASP LEU GLU THR SEQRES 5 A 135 ILE ARG LYS ASN ILE SER LYS HIS LYS TYR GLN SER ARG SEQRES 6 A 135 GLU SER PHE LEU ASP ASP VAL ASN LEU ILE LEU ALA ASN SEQRES 7 A 135 SER VAL LYS TYR ASN GLY PRO GLU SER GLN TYR THR LYS SEQRES 8 A 135 THR ALA GLN GLU ILE VAL ASN VAL CYS TYR GLN THR LEU SEQRES 9 A 135 THR GLU TYR ASP GLU HIS LEU THR GLN LEU GLU LYS ASP SEQRES 10 A 135 ILE CYS THR ALA LYS GLU ALA ALA LEU GLU GLU ALA GLU SEQRES 11 A 135 LEU GLU SER LEU ASP HET G A 9V 57 ATOM 1 N ASP A1501 42.150 0.611 93.517 1.00 68.10 N ATOM 2 CA ASP A1501 41.566 1.425 92.452 1.00 67.13 C ATOM 3 C ASP A1501 41.450 0.719 91.068 1.00 66.98 C ATOM 4 O ASP A1501 40.440 0.928 90.393 1.00 66.24 O ATOM 5 CB ASP A1501 42.349 2.743 92.324 1.00 70.49 C ATOM 6 CG ASP A1501 41.793 3.746 91.324 1.00 85.56 C ATOM 7 OD1 ASP A1501 42.392 3.888 90.230 1.00 87.84 O ATOM 8 OD2 ASP A1501 40.773 4.404 91.643 1.00 89.50 O ATOM 9 HN3 ASP A1501 43.113 0.327 93.246 1.00 0.00 H ATOM 10 HN2 ASP A1501 41.566 -0.237 93.664 1.00 0.00 H ATOM 11 HN1 ASP A1501 42.185 1.166 94.396 1.00 0.00 H ATOM 12 N ASP A1502 42.480 -0.067 90.633 1.00 60.63 N ATOM 13 CA ASP A1502 42.545 -0.705 89.295 1.00 58.81 C ATOM 14 C ASP A1502 41.393 -1.663 88.971 1.00 56.39 C ATOM 15 O ASP A1502 40.901 -1.669 87.842 1.00 54.07 O ATOM 16 CB ASP A1502 43.890 -1.404 89.059 1.00 61.80 C ATOM 17 CG ASP A1502 45.047 -0.420 88.951 1.00 81.30 C ATOM 18 OD1 ASP A1502 45.128 0.298 87.925 1.00 82.87 O ATOM 19 OD2 ASP A1502 45.862 -0.359 89.895 1.00 91.73 O ATOM 20 H ASP A1502 43.274 -0.229 91.285 1.00 0.00 H ATOM 21 N ASP A1503 40.966 -2.446 89.969 1.00 51.51 N ATOM 22 CA ASP A1503 39.870 -3.410 89.871 1.00 51.05 C ATOM 23 C ASP A1503 38.523 -2.726 89.700 1.00 52.03 C ATOM 24 O ASP A1503 37.752 -3.137 88.833 1.00 51.29 O ATOM 25 CB ASP A1503 39.871 -4.366 91.073 1.00 53.34 C ATOM 26 CG ASP A1503 41.171 -5.148 91.202 1.00 70.50 C ATOM 27 OD1 ASP A1503 41.517 -5.894 90.257 1.00 72.94 O ATOM 28 OD2 ASP A1503 41.833 -5.025 92.244 1.00 76.55 O ATOM 29 H ASP A1503 41.451 -2.363 90.885 1.00 0.00 H ATOM 30 N GLN A1504 38.271 -1.652 90.471 1.00 47.18 N ATOM 31 CA GLN A1504 37.042 -0.853 90.399 1.00 46.29 C ATOM 32 C GLN A1504 36.924 -0.166 89.035 1.00 49.33 C ATOM 33 O GLN A1504 35.840 -0.149 88.449 1.00 47.15 O ATOM 34 CB GLN A1504 36.982 0.184 91.548 1.00 47.19 C ATOM 35 CG GLN A1504 35.746 1.097 91.520 1.00 48.31 C ATOM 36 CD GLN A1504 34.447 0.336 91.584 1.00 57.84 C ATOM 37 OE1 GLN A1504 33.728 0.184 90.580 1.00 54.63 O ATOM 38 NE2 GLN A1504 34.132 -0.183 92.750 1.00 44.73 N ATOM 39 HE22 GLN A1504 34.755 -0.037 93.570 1.00 0.00 H ATOM 40 HE21 GLN A1504 33.260 -0.740 92.853 1.00 0.00 H ATOM 41 H GLN A1504 38.994 -1.370 91.163 1.00 0.00 H ATOM 42 N VAL A1505 38.049 0.381 88.536 1.00 44.57 N ATOM 43 CA VAL A1505 38.111 1.041 87.234 1.00 44.46 C ATOM 44 C VAL A1505 37.778 0.024 86.127 1.00 48.38 C ATOM 45 O VAL A1505 36.962 0.333 85.256 1.00 48.43 O ATOM 46 CB VAL A1505 39.468 1.766 87.016 1.00 48.56 C ATOM 47 CG1 VAL A1505 39.612 2.251 85.582 1.00 48.14 C ATOM 48 CG2 VAL A1505 39.620 2.944 87.978 1.00 49.19 C ATOM 49 H VAL A1505 38.917 0.331 89.106 1.00 0.00 H ATOM 50 N ALA A1506 38.373 -1.191 86.196 1.00 44.44 N ATOM 51 CA ALA A1506 38.131 -2.265 85.207 1.00 44.12 C ATOM 52 C ALA A1506 36.665 -2.716 85.216 1.00 45.33 C ATOM 53 O ALA A1506 36.054 -2.844 84.158 1.00 43.71 O ATOM 54 CB ALA A1506 39.027 -3.455 85.491 1.00 44.91 C ATOM 55 H ALA A1506 39.030 -1.378 86.980 1.00 0.00 H ATOM 56 N PHE A1507 36.111 -2.924 86.422 1.00 42.84 N ATOM 57 CA PHE A1507 34.723 -3.322 86.641 1.00 41.71 C ATOM 58 C PHE A1507 33.759 -2.308 86.008 1.00 44.68 C ATOM 59 O PHE A1507 32.845 -2.700 85.277 1.00 43.44 O ATOM 60 CB PHE A1507 34.462 -3.479 88.148 1.00 42.65 C ATOM 61 CG PHE A1507 33.107 -4.048 88.507 1.00 42.04 C ATOM 62 CD1 PHE A1507 32.836 -5.399 88.337 1.00 43.52 C ATOM 63 CD2 PHE A1507 32.109 -3.233 89.031 1.00 41.69 C ATOM 64 CE1 PHE A1507 31.581 -5.925 88.665 1.00 43.67 C ATOM 65 CE2 PHE A1507 30.864 -3.757 89.371 1.00 44.20 C ATOM 66 CZ PHE A1507 30.605 -5.100 89.178 1.00 42.06 C ATOM 67 H PHE A1507 36.713 -2.792 87.259 1.00 0.00 H ATOM 68 N SER A1508 34.017 -1.010 86.239 1.00 41.98 N ATOM 69 CA SER A1508 33.236 0.102 85.698 1.00 41.96 C ATOM 70 C SER A1508 33.329 0.156 84.193 1.00 45.11 C ATOM 71 O SER A1508 32.297 0.294 83.539 1.00 44.38 O ATOM 72 CB SER A1508 33.657 1.427 86.331 1.00 44.19 C ATOM 73 OG SER A1508 33.315 1.411 87.705 1.00 48.12 O ATOM 74 HG SER A1508 33.585 2.268 88.121 1.00 0.00 H ATOM 75 H SER A1508 34.830 -0.779 86.846 1.00 0.00 H ATOM 76 N PHE A1509 34.540 -0.004 83.628 1.00 42.95 N ATOM 77 CA PHE A1509 34.718 -0.056 82.169 1.00 43.49 C ATOM 78 C PHE A1509 33.918 -1.216 81.538 1.00 45.09 C ATOM 79 O PHE A1509 33.306 -1.036 80.475 1.00 43.85 O ATOM 80 CB PHE A1509 36.201 -0.159 81.784 1.00 46.79 C ATOM 81 CG PHE A1509 36.937 1.167 81.703 1.00 50.84 C ATOM 82 CD1 PHE A1509 38.169 1.339 82.329 1.00 55.43 C ATOM 83 CD2 PHE A1509 36.434 2.221 80.940 1.00 53.62 C ATOM 84 CE1 PHE A1509 38.880 2.542 82.204 1.00 56.97 C ATOM 85 CE2 PHE A1509 37.135 3.435 80.841 1.00 57.71 C ATOM 86 CZ PHE A1509 38.351 3.586 81.476 1.00 56.21 C ATOM 87 H PHE A1509 35.375 -0.094 84.242 1.00 0.00 H ATOM 88 N ILE A1510 33.895 -2.392 82.211 1.00 40.60 N ATOM 89 CA ILE A1510 33.129 -3.549 81.720 1.00 39.03 C ATOM 90 C ILE A1510 31.604 -3.260 81.738 1.00 40.00 C ATOM 91 O ILE A1510 30.912 -3.540 80.758 1.00 37.82 O ATOM 92 CB ILE A1510 33.509 -4.871 82.442 1.00 41.39 C ATOM 93 CG1 ILE A1510 34.985 -5.236 82.158 1.00 41.43 C ATOM 94 CG2 ILE A1510 32.573 -6.021 81.994 1.00 39.22 C ATOM 95 CD1 ILE A1510 35.629 -6.211 83.156 1.00 43.99 C ATOM 96 H ILE A1510 34.432 -2.479 83.097 1.00 0.00 H ATOM 97 N LEU A1511 31.109 -2.676 82.831 1.00 38.33 N ATOM 98 CA LEU A1511 29.687 -2.306 82.972 1.00 37.75 C ATOM 99 C LEU A1511 29.298 -1.280 81.906 1.00 42.17 C ATOM 100 O LEU A1511 28.224 -1.400 81.321 1.00 41.55 O ATOM 101 CB LEU A1511 29.366 -1.757 84.376 1.00 37.74 C ATOM 102 CG LEU A1511 29.448 -2.722 85.573 1.00 42.56 C ATOM 103 CD1 LEU A1511 29.012 -2.012 86.855 1.00 42.82 C ATOM 104 CD2 LEU A1511 28.617 -4.016 85.351 1.00 40.84 C ATOM 105 H LEU A1511 31.755 -2.472 83.620 1.00 0.00 H ATOM 106 N ASP A1512 30.196 -0.312 81.610 1.00 39.27 N ATOM 107 CA ASP A1512 29.928 0.698 80.581 1.00 38.65 C ATOM 108 C ASP A1512 29.790 0.107 79.195 1.00 41.81 C ATOM 109 O ASP A1512 28.905 0.526 78.452 1.00 42.20 O ATOM 110 CB ASP A1512 30.950 1.835 80.580 1.00 40.96 C ATOM 111 CG ASP A1512 30.412 3.014 79.778 1.00 48.13 C ATOM 112 OD1 ASP A1512 29.390 3.611 80.207 1.00 45.71 O ATOM 113 OD2 ASP A1512 30.959 3.286 78.694 1.00 55.08 O ATOM 114 H ASP A1512 31.099 -0.284 82.125 1.00 0.00 H ATOM 115 N ASN A1513 30.655 -0.859 78.851 1.00 38.58 N ATOM 116 CA ASN A1513 30.618 -1.556 77.579 1.00 37.85 C ATOM 117 C ASN A1513 29.309 -2.369 77.456 1.00 39.30 C ATOM 118 O ASN A1513 28.761 -2.431 76.373 1.00 37.88 O ATOM 119 CB ASN A1513 31.837 -2.461 77.433 1.00 36.19 C ATOM 120 CG ASN A1513 31.993 -3.015 76.027 1.00 56.53 C ATOM 121 OD1 ASN A1513 31.473 -4.078 75.692 1.00 42.49 O ATOM 122 ND2 ASN A1513 32.719 -2.308 75.163 1.00 52.74 N ATOM 123 HD22 ASN A1513 33.153 -1.411 75.460 1.00 0.00 H ATOM 124 HD21 ASN A1513 32.852 -2.653 74.191 1.00 0.00 H ATOM 125 H ASN A1513 31.393 -1.123 79.534 1.00 0.00 H ATOM 126 N ILE A1514 28.802 -2.978 78.557 1.00 37.06 N ATOM 127 CA ILE A1514 27.534 -3.732 78.498 1.00 34.98 C ATOM 128 C ILE A1514 26.405 -2.718 78.174 1.00 38.38 C ATOM 129 O ILE A1514 25.588 -2.966 77.285 1.00 37.11 O ATOM 130 CB ILE A1514 27.242 -4.505 79.817 1.00 37.22 C ATOM 131 CG1 ILE A1514 28.358 -5.548 80.121 1.00 37.38 C ATOM 132 CG2 ILE A1514 25.812 -5.135 79.779 1.00 36.90 C ATOM 133 CD1 ILE A1514 28.191 -6.375 81.433 1.00 32.65 C ATOM 134 H ILE A1514 29.316 -2.913 79.459 1.00 0.00 H ATOM 135 N VAL A1515 26.399 -1.561 78.867 1.00 35.76 N ATOM 136 CA VAL A1515 25.388 -0.527 78.636 1.00 35.43 C ATOM 137 C VAL A1515 25.394 -0.033 77.171 1.00 38.19 C ATOM 138 O VAL A1515 24.351 -0.059 76.527 1.00 36.45 O ATOM 139 CB VAL A1515 25.455 0.653 79.663 1.00 38.40 C ATOM 140 CG1 VAL A1515 24.384 1.692 79.368 1.00 37.74 C ATOM 141 CG2 VAL A1515 25.282 0.138 81.086 1.00 38.22 C ATOM 142 H VAL A1515 27.133 -1.399 79.586 1.00 0.00 H ATOM 143 N THR A1516 26.555 0.384 76.643 1.00 37.01 N ATOM 144 CA THR A1516 26.606 0.934 75.269 1.00 37.10 C ATOM 145 C THR A1516 26.531 -0.101 74.154 1.00 42.37 C ATOM 146 O THR A1516 25.927 0.178 73.109 1.00 43.79 O ATOM 147 CB THR A1516 27.862 1.806 75.060 1.00 45.28 C ATOM 148 OG1 THR A1516 29.044 0.984 75.084 1.00 42.19 O ATOM 149 CG2 THR A1516 27.968 2.918 76.058 1.00 43.69 C ATOM 150 HG1 THR A1516 29.843 1.553 74.949 1.00 0.00 H ATOM 151 H THR A1516 27.428 0.320 77.205 1.00 0.00 H ATOM 152 N GLN A1517 27.190 -1.264 74.327 1.00 36.41 N ATOM 153 CA GLN A1517 27.262 -2.245 73.252 1.00 34.87 C ATOM 154 C GLN A1517 26.135 -3.248 73.246 1.00 39.20 C ATOM 155 O GLN A1517 25.869 -3.857 72.214 1.00 39.84 O ATOM 156 CB GLN A1517 28.632 -2.954 73.253 1.00 36.45 C ATOM 157 CG GLN A1517 29.846 -1.992 73.225 1.00 40.86 C ATOM 158 CD GLN A1517 29.758 -0.966 72.098 1.00 60.09 C ATOM 159 OE1 GLN A1517 29.746 -1.297 70.912 1.00 53.50 O ATOM 160 NE2 GLN A1517 29.651 0.308 72.441 1.00 54.77 N ATOM 161 HE22 GLN A1517 29.662 0.579 73.445 1.00 0.00 H ATOM 162 HE21 GLN A1517 29.556 1.038 71.706 1.00 0.00 H ATOM 163 H GLN A1517 27.652 -1.463 75.237 1.00 0.00 H ATOM 164 N LYS A1518 25.511 -3.483 74.386 1.00 35.22 N ATOM 165 CA LYS A1518 24.467 -4.498 74.455 1.00 34.32 C ATOM 166 C LYS A1518 23.084 -3.873 74.723 1.00 38.15 C ATOM 167 O LYS A1518 22.176 -4.068 73.931 1.00 38.66 O ATOM 168 CB LYS A1518 24.831 -5.569 75.525 1.00 36.28 C ATOM 169 CG LYS A1518 25.976 -6.512 75.104 1.00 45.69 C ATOM 170 CD LYS A1518 25.455 -7.525 74.096 1.00 55.65 C ATOM 171 CE LYS A1518 26.503 -8.361 73.419 1.00 64.39 C ATOM 172 NZ LYS A1518 25.871 -9.299 72.452 1.00 69.50 N ATOM 173 HZ1 LYS A1518 25.212 -9.924 72.958 1.00 0.00 H ATOM 174 HZ2 LYS A1518 25.352 -8.756 71.733 1.00 0.00 H ATOM 175 HZ3 LYS A1518 26.609 -9.870 71.992 1.00 0.00 H ATOM 176 H LYS A1518 25.765 -2.942 75.237 1.00 0.00 H ATOM 177 N MET A1519 22.932 -3.129 75.829 1.00 35.05 N ATOM 178 CA MET A1519 21.641 -2.545 76.240 1.00 35.30 C ATOM 179 C MET A1519 21.143 -1.450 75.310 1.00 38.93 C ATOM 180 O MET A1519 19.976 -1.488 74.908 1.00 36.86 O ATOM 181 CB MET A1519 21.701 -2.068 77.694 1.00 37.68 C ATOM 182 CG MET A1519 21.911 -3.241 78.670 1.00 40.66 C ATOM 183 SD MET A1519 22.490 -2.725 80.301 1.00 45.94 S ATOM 184 CE MET A1519 21.010 -2.151 81.007 1.00 41.16 C ATOM 185 H MET A1519 23.766 -2.955 76.426 1.00 0.00 H ATOM 186 N MET A1520 22.014 -0.485 74.946 1.00 37.42 N ATOM 187 CA MET A1520 21.636 0.611 74.037 1.00 38.48 C ATOM 188 C MET A1520 21.450 0.133 72.599 1.00 42.56 C ATOM 189 O MET A1520 20.781 0.805 71.816 1.00 42.12 O ATOM 190 CB MET A1520 22.641 1.762 74.105 1.00 41.17 C ATOM 191 CG MET A1520 22.555 2.526 75.402 1.00 46.11 C ATOM 192 SD MET A1520 23.811 3.772 75.418 1.00 52.46 S ATOM 193 CE MET A1520 23.634 4.356 76.959 1.00 51.14 C ATOM 194 H MET A1520 22.984 -0.516 75.320 1.00 0.00 H ATOM 195 N ALA A1521 22.030 -1.033 72.271 1.00 39.97 N ATOM 196 CA ALA A1521 21.940 -1.705 70.969 1.00 39.50 C ATOM 197 C ALA A1521 20.624 -2.474 70.814 1.00 42.04 C ATOM 198 O ALA A1521 20.312 -2.914 69.719 1.00 44.09 O ATOM 199 CB ALA A1521 23.129 -2.651 70.783 1.00 39.58 C ATOM 200 H ALA A1521 22.595 -1.503 73.007 1.00 0.00 H ATOM 201 N VAL A1522 19.838 -2.632 71.881 1.00 37.26 N ATOM 202 CA VAL A1522 18.554 -3.340 71.780 1.00 35.64 C ATOM 203 C VAL A1522 17.663 -2.555 70.778 1.00 41.24 C ATOM 204 O VAL A1522 17.611 -1.330 70.879 1.00 38.13 O ATOM 205 CB VAL A1522 17.873 -3.554 73.162 1.00 38.86 C ATOM 206 CG1 VAL A1522 16.377 -3.900 73.036 1.00 38.76 C ATOM 207 CG2 VAL A1522 18.597 -4.621 73.969 1.00 38.19 C ATOM 208 H VAL A1522 20.139 -2.248 72.799 1.00 0.00 H ATOM 209 N PRO A1523 17.048 -3.212 69.748 1.00 40.58 N ATOM 210 CA PRO A1523 16.201 -2.459 68.807 1.00 40.82 C ATOM 211 C PRO A1523 15.082 -1.726 69.543 1.00 43.58 C ATOM 212 O PRO A1523 14.505 -2.272 70.480 1.00 42.82 O ATOM 213 CB PRO A1523 15.638 -3.551 67.879 1.00 42.84 C ATOM 214 CG PRO A1523 16.631 -4.687 67.984 1.00 47.11 C ATOM 215 CD PRO A1523 17.042 -4.661 69.435 1.00 42.01 C ATOM 216 N ASP A1524 14.819 -0.479 69.141 1.00 41.23 N ATOM 217 CA ASP A1524 13.760 0.408 69.675 1.00 41.72 C ATOM 218 C ASP A1524 13.964 0.768 71.159 1.00 41.69 C ATOM 219 O ASP A1524 13.003 1.079 71.859 1.00 41.08 O ATOM 220 CB ASP A1524 12.350 -0.200 69.424 1.00 43.91 C ATOM 221 CG ASP A1524 12.143 -0.700 67.997 1.00 53.91 C ATOM 222 OD1 ASP A1524 12.436 0.057 67.059 1.00 55.27 O ATOM 223 OD2 ASP A1524 11.709 -1.856 67.831 1.00 60.12 O ATOM 224 H ASP A1524 15.415 -0.095 68.380 1.00 0.00 H ATOM 225 N SER A1525 15.210 0.712 71.633 1.00 35.87 N ATOM 226 CA SER A1525 15.536 1.020 73.020 1.00 35.64 C ATOM 227 C SER A1525 15.726 2.508 73.280 1.00 40.65 C ATOM 228 O SER A1525 15.842 2.900 74.444 1.00 39.54 O ATOM 229 CB SER A1525 16.770 0.238 73.468 1.00 38.53 C ATOM 230 OG SER A1525 17.909 0.641 72.725 1.00 38.43 O ATOM 231 HG SER A1525 18.070 1.607 72.868 1.00 0.00 H ATOM 232 H SER A1525 15.978 0.438 70.988 1.00 0.00 H ATOM 233 N TRP A1526 15.688 3.349 72.216 1.00 38.44 N ATOM 234 CA TRP A1526 15.857 4.800 72.297 1.00 38.52 C ATOM 235 C TRP A1526 15.015 5.467 73.422 1.00 41.73 C ATOM 236 O TRP A1526 15.561 6.385 74.042 1.00 41.44 O ATOM 237 CB TRP A1526 15.630 5.517 70.918 1.00 37.95 C ATOM 238 CG TRP A1526 14.232 5.398 70.402 1.00 38.97 C ATOM 239 CD1 TRP A1526 13.739 4.404 69.615 1.00 41.26 C ATOM 240 CD2 TRP A1526 13.112 6.218 70.767 1.00 39.69 C ATOM 241 NE1 TRP A1526 12.374 4.536 69.481 1.00 41.81 N ATOM 242 CE2 TRP A1526 11.965 5.654 70.165 1.00 44.26 C ATOM 243 CE3 TRP A1526 12.961 7.365 71.565 1.00 42.16 C ATOM 244 CZ2 TRP A1526 10.686 6.192 70.340 1.00 43.67 C ATOM 245 CZ3 TRP A1526 11.691 7.893 71.744 1.00 44.47 C ATOM 246 CH2 TRP A1526 10.571 7.296 71.150 1.00 44.82 C ATOM 247 HE1 TRP A1526 11.754 3.893 68.948 1.00 0.00 H ATOM 248 H TRP A1526 15.527 2.933 71.277 1.00 0.00 H ATOM 249 N PRO A1527 13.746 5.053 73.771 1.00 38.61 N ATOM 250 CA PRO A1527 13.023 5.779 74.842 1.00 38.44 C ATOM 251 C PRO A1527 13.662 5.632 76.218 1.00 40.58 C ATOM 252 O PRO A1527 13.364 6.420 77.094 1.00 40.09 O ATOM 253 CB PRO A1527 11.617 5.151 74.821 1.00 40.21 C ATOM 254 CG PRO A1527 11.513 4.450 73.512 1.00 43.88 C ATOM 255 CD PRO A1527 12.895 3.972 73.224 1.00 38.43 C ATOM 256 N PHE A1528 14.576 4.665 76.376 1.00 36.46 N ATOM 257 CA PHE A1528 15.235 4.348 77.646 1.00 35.80 C ATOM 258 C PHE A1528 16.636 4.932 77.751 1.00 39.64 C ATOM 259 O PHE A1528 17.267 4.805 78.798 1.00 38.10 O ATOM 260 CB PHE A1528 15.272 2.807 77.837 1.00 35.35 C ATOM 261 CG PHE A1528 13.883 2.183 77.833 1.00 35.36 C ATOM 262 CD1 PHE A1528 13.098 2.174 78.989 1.00 35.72 C ATOM 263 CD2 PHE A1528 13.331 1.672 76.655 1.00 36.13 C ATOM 264 CE1 PHE A1528 11.806 1.632 78.981 1.00 35.83 C ATOM 265 CE2 PHE A1528 12.036 1.113 76.648 1.00 37.67 C ATOM 266 CZ PHE A1528 11.292 1.083 77.816 1.00 35.32 C ATOM 267 H PHE A1528 14.835 4.102 75.541 1.00 0.00 H ATOM 268 N HIS A1529 17.130 5.552 76.674 1.00 36.53 N ATOM 269 CA HIS A1529 18.507 6.058 76.636 1.00 38.01 C ATOM 270 C HIS A1529 18.752 7.269 77.493 1.00 43.34 C ATOM 271 O HIS A1529 19.876 7.463 77.937 1.00 44.44 O ATOM 272 CB HIS A1529 18.967 6.347 75.199 1.00 38.73 C ATOM 273 CG HIS A1529 19.142 5.143 74.331 1.00 40.95 C ATOM 274 ND1 HIS A1529 19.794 5.235 73.101 1.00 42.70 N ATOM 275 CD2 HIS A1529 18.729 3.869 74.510 1.00 40.45 C ATOM 276 CE1 HIS A1529 19.766 4.018 72.590 1.00 40.42 C ATOM 277 NE2 HIS A1529 19.129 3.166 73.394 1.00 40.10 N ATOM 278 H HIS A1529 16.521 5.679 75.840 1.00 0.00 H ATOM 279 N HIS A1530 17.734 8.104 77.697 1.00 40.44 N ATOM 280 CA HIS A1530 17.888 9.342 78.450 1.00 41.65 C ATOM 281 C HIS A1530 16.726 9.545 79.412 1.00 43.96 C ATOM 282 O HIS A1530 15.677 8.927 79.208 1.00 41.87 O ATOM 283 CB HIS A1530 17.967 10.542 77.472 1.00 44.18 C ATOM 284 CG HIS A1530 19.028 10.395 76.433 1.00 49.21 C ATOM 285 ND1 HIS A1530 20.359 10.646 76.721 1.00 52.10 N ATOM 286 CD2 HIS A1530 18.925 9.965 75.152 1.00 51.61 C ATOM 287 CE1 HIS A1530 21.021 10.381 75.603 1.00 51.96 C ATOM 288 NE2 HIS A1530 20.200 9.969 74.631 1.00 52.00 N ATOM 289 H HIS A1530 16.800 7.865 77.307 1.00 0.00 H ATOM 290 N PRO A1531 16.859 10.447 80.432 1.00 41.96 N ATOM 291 CA PRO A1531 15.710 10.716 81.310 1.00 41.91 C ATOM 292 C PRO A1531 14.526 11.259 80.509 1.00 45.03 C ATOM 293 O PRO A1531 14.699 11.978 79.511 1.00 43.35 O ATOM 294 CB PRO A1531 16.217 11.808 82.271 1.00 45.07 C ATOM 295 CG PRO A1531 17.685 11.850 82.111 1.00 50.02 C ATOM 296 CD PRO A1531 18.026 11.293 80.775 1.00 44.40 C ATOM 297 N VAL A1532 13.321 10.909 80.942 1.00 41.79 N ATOM 298 CA VAL A1532 12.075 11.404 80.340 1.00 40.98 C ATOM 299 C VAL A1532 12.004 12.929 80.471 1.00 48.35 C ATOM 300 O VAL A1532 12.285 13.475 81.537 1.00 48.93 O ATOM 301 CB VAL A1532 10.830 10.748 81.011 1.00 42.92 C ATOM 302 CG1 VAL A1532 9.530 11.442 80.597 1.00 42.47 C ATOM 303 CG2 VAL A1532 10.758 9.271 80.675 1.00 41.66 C ATOM 304 H VAL A1532 13.255 10.253 81.746 1.00 0.00 H ATOM 305 N ASN A1533 11.613 13.605 79.399 1.00 45.58 N ATOM 306 CA ASN A1533 11.368 15.035 79.415 1.00 46.32 C ATOM 307 C ASN A1533 9.856 15.146 79.629 1.00 49.32 C ATOM 308 O ASN A1533 9.080 14.695 78.774 1.00 46.36 O ATOM 309 CB ASN A1533 11.768 15.670 78.069 1.00 48.22 C ATOM 310 CG ASN A1533 11.694 17.184 78.027 1.00 61.61 C ATOM 311 OD1 ASN A1533 10.879 17.830 78.683 1.00 51.63 O ATOM 312 ND2 ASN A1533 12.544 17.786 77.231 1.00 56.06 N ATOM 313 HD22 ASN A1533 13.228 17.227 76.682 1.00 0.00 H ATOM 314 HD21 ASN A1533 12.534 18.823 77.148 1.00 0.00 H ATOM 315 H ASN A1533 11.476 13.087 78.508 1.00 0.00 H ATOM 316 N LYS A1534 9.429 15.740 80.760 1.00 49.01 N ATOM 317 CA LYS A1534 7.990 15.876 81.056 1.00 50.63 C ATOM 318 C LYS A1534 7.230 16.719 80.011 1.00 55.31 C ATOM 319 O LYS A1534 6.014 16.597 79.918 1.00 56.28 O ATOM 320 CB LYS A1534 7.709 16.368 82.492 1.00 54.99 C ATOM 321 CG LYS A1534 8.274 17.734 82.870 1.00 71.37 C ATOM 322 CD LYS A1534 7.984 18.054 84.336 1.00 83.52 C ATOM 323 CE LYS A1534 9.181 17.954 85.277 1.00 98.29 C ATOM 324 NZ LYS A1534 8.770 17.872 86.709 1.00105.98 N ATOM 325 HZ1 LYS A1534 8.230 18.724 86.963 1.00 0.00 H ATOM 326 HZ2 LYS A1534 8.177 17.029 86.850 1.00 0.00 H ATOM 327 HZ3 LYS A1534 9.617 17.806 87.308 1.00 0.00 H ATOM 328 H LYS A1534 10.127 16.110 81.437 1.00 0.00 H ATOM 329 N LYS A1535 7.932 17.476 79.160 1.00 51.11 N ATOM 330 CA LYS A1535 7.241 18.213 78.099 1.00 51.84 C ATOM 331 C LYS A1535 6.657 17.235 77.031 1.00 54.32 C ATOM 332 O LYS A1535 5.673 17.574 76.382 1.00 54.12 O ATOM 333 CB LYS A1535 8.125 19.341 77.516 1.00 54.68 C ATOM 334 CG LYS A1535 8.706 19.154 76.124 1.00 68.51 C ATOM 335 CD LYS A1535 9.305 20.483 75.656 1.00 77.50 C ATOM 336 CE LYS A1535 9.941 20.400 74.289 1.00 91.79 C ATOM 337 NZ LYS A1535 10.718 21.631 73.972 1.00104.76 N ATOM 338 HZ1 LYS A1535 10.083 22.455 73.991 1.00 0.00 H ATOM 339 HZ2 LYS A1535 11.471 21.756 74.679 1.00 0.00 H ATOM 340 HZ3 LYS A1535 11.141 21.539 73.026 1.00 0.00 H ATOM 341 H LYS A1535 8.966 17.541 79.251 1.00 0.00 H ATOM 342 N PHE A1536 7.216 16.002 76.916 1.00 47.94 N ATOM 343 CA PHE A1536 6.700 15.007 75.974 1.00 46.26 C ATOM 344 C PHE A1536 5.811 13.981 76.662 1.00 50.47 C ATOM 345 O PHE A1536 4.980 13.361 76.005 1.00 48.75 O ATOM 346 CB PHE A1536 7.845 14.299 75.221 1.00 46.95 C ATOM 347 CG PHE A1536 8.809 15.222 74.514 1.00 49.49 C ATOM 348 CD1 PHE A1536 8.353 16.165 73.592 1.00 51.85 C ATOM 349 CD2 PHE A1536 10.173 15.142 74.753 1.00 52.36 C ATOM 350 CE1 PHE A1536 9.241 17.020 72.939 1.00 53.01 C ATOM 351 CE2 PHE A1536 11.063 15.999 74.095 1.00 55.78 C ATOM 352 CZ PHE A1536 10.587 16.932 73.192 1.00 53.72 C ATOM 353 H PHE A1536 8.032 15.759 77.513 1.00 0.00 H ATOM 354 N VAL A1537 6.034 13.740 77.972 1.00 48.91 N ATOM 355 CA VAL A1537 5.331 12.717 78.769 1.00 48.80 C ATOM 356 C VAL A1537 4.912 13.445 80.082 1.00 56.25 C ATOM 357 O VAL A1537 5.625 13.379 81.084 1.00 54.03 O ATOM 358 CB VAL A1537 6.289 11.493 78.947 1.00 51.42 C ATOM 359 CG1 VAL A1537 5.612 10.324 79.648 1.00 51.44 C ATOM 360 CG2 VAL A1537 6.864 11.033 77.600 1.00 49.99 C ATOM 361 H VAL A1537 6.753 14.317 78.453 1.00 0.00 H ATOM 362 N PRO A1538 3.809 14.259 80.021 1.00 57.49 N ATOM 363 CA PRO A1538 3.444 15.145 81.157 1.00 58.69 C ATOM 364 C PRO A1538 3.281 14.557 82.556 1.00 63.02 C ATOM 365 O PRO A1538 3.646 15.241 83.512 1.00 63.70 O ATOM 366 CB PRO A1538 2.117 15.773 80.720 1.00 60.88 C ATOM 367 CG PRO A1538 2.151 15.734 79.261 1.00 64.69 C ATOM 368 CD PRO A1538 2.913 14.493 78.867 1.00 58.94 C ATOM 369 N ASP A1539 2.701 13.369 82.714 1.00 58.22 N ATOM 370 CA ASP A1539 2.521 12.909 84.093 1.00 57.62 C ATOM 371 C ASP A1539 3.528 11.843 84.533 1.00 55.43 C ATOM 372 O ASP A1539 3.327 11.222 85.578 1.00 55.25 O ATOM 373 CB ASP A1539 1.066 12.454 84.340 1.00 60.76 C ATOM 374 CG ASP A1539 0.476 11.453 83.365 1.00 77.67 C ATOM 375 OD1 ASP A1539 1.249 10.651 82.786 1.00 77.70 O ATOM 376 OD2 ASP A1539 -0.761 11.454 83.197 1.00 88.40 O ATOM 377 H ASP A1539 2.392 12.798 81.902 1.00 0.00 H ATOM 378 N TYR A1540 4.631 11.666 83.778 1.00 47.69 N ATOM 379 CA TYR A1540 5.622 10.628 84.064 1.00 44.66 C ATOM 380 C TYR A1540 6.132 10.632 85.491 1.00 47.85 C ATOM 381 O TYR A1540 6.099 9.589 86.151 1.00 45.70 O ATOM 382 CB TYR A1540 6.800 10.653 83.082 1.00 43.23 C ATOM 383 CG TYR A1540 7.667 9.421 83.212 1.00 43.30 C ATOM 384 CD1 TYR A1540 7.278 8.207 82.647 1.00 44.23 C ATOM 385 CD2 TYR A1540 8.875 9.464 83.905 1.00 43.12 C ATOM 386 CE1 TYR A1540 8.072 7.071 82.756 1.00 42.40 C ATOM 387 CE2 TYR A1540 9.678 8.327 84.027 1.00 43.33 C ATOM 388 CZ TYR A1540 9.273 7.135 83.443 1.00 46.32 C ATOM 389 OH TYR A1540 10.036 6.005 83.559 1.00 40.85 O ATOM 390 HH TYR A1540 9.593 5.259 83.083 1.00 0.00 H ATOM 391 H TYR A1540 4.783 12.291 82.961 1.00 0.00 H ATOM 392 N TYR A1541 6.601 11.796 85.960 1.00 46.41 N ATOM 393 CA TYR A1541 7.164 11.960 87.296 1.00 47.47 C ATOM 394 C TYR A1541 6.109 12.034 88.412 1.00 54.66 C ATOM 395 O TYR A1541 6.467 11.974 89.591 1.00 55.44 O ATOM 396 CB TYR A1541 8.126 13.146 87.329 1.00 48.70 C ATOM 397 CG TYR A1541 9.307 12.922 86.404 1.00 48.80 C ATOM 398 CD1 TYR A1541 9.390 13.579 85.175 1.00 50.11 C ATOM 399 CD2 TYR A1541 10.301 11.995 86.717 1.00 47.83 C ATOM 400 CE1 TYR A1541 10.471 13.380 84.319 1.00 47.84 C ATOM 401 CE2 TYR A1541 11.379 11.773 85.861 1.00 47.86 C ATOM 402 CZ TYR A1541 11.463 12.473 84.666 1.00 51.04 C ATOM 403 OH TYR A1541 12.524 12.259 83.829 1.00 44.39 O ATOM 404 HH TYR A1541 12.432 12.833 83.028 1.00 0.00 H ATOM 405 H TYR A1541 6.562 12.628 85.338 1.00 0.00 H ATOM 406 N LYS A1542 4.826 12.066 88.052 1.00 52.44 N ATOM 407 CA LYS A1542 3.741 12.006 89.035 1.00 53.30 C ATOM 408 C LYS A1542 3.522 10.523 89.375 1.00 56.04 C ATOM 409 O LYS A1542 3.127 10.208 90.491 1.00 56.54 O ATOM 410 CB LYS A1542 2.438 12.605 88.473 1.00 56.02 C ATOM 411 CG LYS A1542 2.498 14.096 88.189 1.00 77.44 C ATOM 412 CD LYS A1542 1.248 14.564 87.470 1.00 90.86 C ATOM 413 CE LYS A1542 1.382 15.957 86.908 1.00103.71 C ATOM 414 NZ LYS A1542 0.237 16.290 86.021 1.00115.96 N ATOM 415 HZ1 LYS A1542 0.204 15.614 85.231 1.00 0.00 H ATOM 416 HZ2 LYS A1542 -0.648 16.234 86.564 1.00 0.00 H ATOM 417 HZ3 LYS A1542 0.357 17.254 85.649 1.00 0.00 H ATOM 418 H LYS A1542 4.588 12.136 87.042 1.00 0.00 H ATOM 419 N VAL A1543 3.797 9.623 88.413 1.00 51.16 N ATOM 420 CA VAL A1543 3.614 8.170 88.542 1.00 50.38 C ATOM 421 C VAL A1543 4.914 7.498 88.993 1.00 54.29 C ATOM 422 O VAL A1543 4.891 6.666 89.901 1.00 55.78 O ATOM 423 CB VAL A1543 3.073 7.555 87.207 1.00 54.26 C ATOM 424 CG1 VAL A1543 2.977 6.033 87.276 1.00 53.67 C ATOM 425 CG2 VAL A1543 1.726 8.154 86.818 1.00 54.44 C ATOM 426 H VAL A1543 4.167 9.983 87.510 1.00 0.00 H ATOM 427 N ILE A1544 6.039 7.847 88.349 1.00 48.93 N ATOM 428 CA ILE A1544 7.349 7.256 88.603 1.00 47.04 C ATOM 429 C ILE A1544 8.141 8.079 89.623 1.00 52.55 C ATOM 430 O ILE A1544 8.655 9.154 89.307 1.00 51.42 O ATOM 431 CB ILE A1544 8.087 7.015 87.246 1.00 48.30 C ATOM 432 CG1 ILE A1544 7.248 6.100 86.291 1.00 47.01 C ATOM 433 CG2 ILE A1544 9.522 6.482 87.435 1.00 46.87 C ATOM 434 CD1 ILE A1544 6.732 4.764 86.889 1.00 47.31 C ATOM 435 H ILE A1544 5.973 8.587 87.621 1.00 0.00 H ATOM 436 N VAL A1545 8.236 7.547 90.856 1.00 51.75 N ATOM 437 CA VAL A1545 8.924 8.205 91.975 1.00 53.30 C ATOM 438 C VAL A1545 10.442 7.956 91.939 1.00 56.76 C ATOM 439 O VAL A1545 11.194 8.797 92.421 1.00 56.91 O ATOM 440 CB VAL A1545 8.295 7.883 93.363 1.00 58.61 C ATOM 441 CG1 VAL A1545 6.814 8.257 93.393 1.00 58.65 C ATOM 442 CG2 VAL A1545 8.491 6.420 93.763 1.00 58.37 C ATOM 443 H VAL A1545 7.798 6.619 91.026 1.00 0.00 H ATOM 444 N ASN A1546 10.890 6.826 91.351 1.00 52.01 N ATOM 445 CA ASN A1546 12.322 6.505 91.222 1.00 50.65 C ATOM 446 C ASN A1546 12.681 6.294 89.750 1.00 51.79 C ATOM 447 O ASN A1546 12.887 5.144 89.319 1.00 49.29 O ATOM 448 CB ASN A1546 12.728 5.299 92.077 1.00 49.14 C ATOM 449 CG ASN A1546 12.506 5.535 93.542 1.00 73.64 C ATOM 450 OD1 ASN A1546 12.995 6.517 94.127 1.00 67.47 O ATOM 451 ND2 ASN A1546 11.741 4.649 94.158 1.00 63.80 N ATOM 452 HD22 ASN A1546 11.352 3.842 93.630 1.00 0.00 H ATOM 453 HD21 ASN A1546 11.528 4.760 95.170 1.00 0.00 H ATOM 454 H ASN A1546 10.194 6.153 90.973 1.00 0.00 H ATOM 455 N PRO A1547 12.775 7.405 88.967 1.00 46.30 N ATOM 456 CA PRO A1547 13.119 7.262 87.541 1.00 44.28 C ATOM 457 C PRO A1547 14.510 6.707 87.303 1.00 45.09 C ATOM 458 O PRO A1547 15.399 6.824 88.141 1.00 43.58 O ATOM 459 CB PRO A1547 12.987 8.690 86.990 1.00 46.68 C ATOM 460 CG PRO A1547 13.224 9.577 88.189 1.00 52.58 C ATOM 461 CD PRO A1547 12.579 8.831 89.329 1.00 47.95 C ATOM 462 N MET A1548 14.690 6.094 86.138 1.00 40.87 N ATOM 463 CA MET A1548 15.965 5.523 85.752 1.00 39.02 C ATOM 464 C MET A1548 16.027 5.475 84.243 1.00 41.43 C ATOM 465 O MET A1548 15.017 5.281 83.588 1.00 40.18 O ATOM 466 CB MET A1548 16.148 4.108 86.376 1.00 39.99 C ATOM 467 CG MET A1548 17.577 3.546 86.271 1.00 43.01 C ATOM 468 SD MET A1548 18.931 4.643 86.774 1.00 46.92 S ATOM 469 CE MET A1548 18.522 4.976 88.488 1.00 43.68 C ATOM 470 H MET A1548 13.888 6.021 85.480 1.00 0.00 H ATOM 471 N ASP A1549 17.223 5.630 83.694 1.00 38.91 N ATOM 472 CA ASP A1549 17.479 5.538 82.263 1.00 37.57 C ATOM 473 C ASP A1549 18.929 5.119 82.098 1.00 41.51 C ATOM 474 O ASP A1549 19.700 5.174 83.064 1.00 40.87 O ATOM 475 CB ASP A1549 17.203 6.876 81.574 1.00 39.35 C ATOM 476 CG ASP A1549 18.174 7.926 82.030 1.00 49.41 C ATOM 477 OD1 ASP A1549 17.900 8.575 83.055 1.00 53.44 O ATOM 478 OD2 ASP A1549 19.228 8.076 81.377 1.00 49.60 O ATOM 479 H ASP A1549 18.027 5.829 84.323 1.00 0.00 H ATOM 480 N LEU A1550 19.301 4.733 80.879 1.00 37.26 N ATOM 481 CA LEU A1550 20.640 4.255 80.534 1.00 36.55 C ATOM 482 C LEU A1550 21.744 5.323 80.671 1.00 42.72 C ATOM 483 O LEU A1550 22.847 4.963 81.085 1.00 40.78 O ATOM 484 CB LEU A1550 20.657 3.579 79.150 1.00 34.88 C ATOM 485 CG LEU A1550 19.689 2.363 79.045 1.00 38.02 C ATOM 486 CD1 LEU A1550 19.757 1.714 77.683 1.00 36.97 C ATOM 487 CD2 LEU A1550 19.976 1.309 80.107 1.00 40.45 C ATOM 488 H LEU A1550 18.591 4.774 80.120 1.00 0.00 H ATOM 489 N GLU A1551 21.455 6.609 80.377 1.00 42.67 N ATOM 490 CA GLU A1551 22.441 7.700 80.550 1.00 43.34 C ATOM 491 C GLU A1551 22.791 7.873 82.051 1.00 46.99 C ATOM 492 O GLU A1551 23.970 7.974 82.400 1.00 47.35 O ATOM 493 CB GLU A1551 21.929 9.021 79.928 1.00 45.62 C ATOM 494 CG GLU A1551 22.934 10.164 80.005 1.00 55.24 C ATOM 495 CD GLU A1551 22.415 11.575 79.801 1.00 76.20 C ATOM 496 OE1 GLU A1551 21.276 11.745 79.313 1.00 56.60 O ATOM 497 OE2 GLU A1551 23.168 12.522 80.121 1.00 88.85 O ATOM 498 H GLU A1551 20.507 6.841 80.017 1.00 0.00 H ATOM 499 N THR A1552 21.772 7.870 82.925 1.00 43.28 N ATOM 500 CA THR A1552 21.960 7.953 84.381 1.00 43.89 C ATOM 501 C THR A1552 22.821 6.775 84.874 1.00 46.51 C ATOM 502 O THR A1552 23.699 6.974 85.723 1.00 45.96 O ATOM 503 CB THR A1552 20.606 8.018 85.098 1.00 50.13 C ATOM 504 OG1 THR A1552 19.931 9.173 84.617 1.00 51.82 O ATOM 505 CG2 THR A1552 20.736 8.095 86.605 1.00 48.41 C ATOM 506 HG1 THR A1552 19.804 9.096 83.638 1.00 0.00 H ATOM 507 H THR A1552 20.802 7.806 82.554 1.00 0.00 H ATOM 508 N ILE A1553 22.589 5.570 84.320 1.00 41.19 N ATOM 509 CA ILE A1553 23.384 4.386 84.681 1.00 40.77 C ATOM 510 C ILE A1553 24.839 4.606 84.259 1.00 44.49 C ATOM 511 O ILE A1553 25.740 4.334 85.043 1.00 44.54 O ATOM 512 CB ILE A1553 22.781 3.053 84.143 1.00 42.47 C ATOM 513 CG1 ILE A1553 21.428 2.764 84.845 1.00 41.55 C ATOM 514 CG2 ILE A1553 23.786 1.879 84.308 1.00 42.51 C ATOM 515 CD1 ILE A1553 20.680 1.509 84.413 1.00 43.29 C ATOM 516 H ILE A1553 21.828 5.474 83.618 1.00 0.00 H ATOM 517 N ARG A1554 25.066 5.135 83.051 1.00 42.81 N ATOM 518 CA ARG A1554 26.426 5.428 82.576 1.00 43.78 C ATOM 519 C ARG A1554 27.113 6.479 83.454 1.00 50.18 C ATOM 520 O ARG A1554 28.304 6.344 83.740 1.00 51.61 O ATOM 521 CB ARG A1554 26.411 5.882 81.124 1.00 43.57 C ATOM 522 CG ARG A1554 26.034 4.776 80.143 1.00 45.63 C ATOM 523 CD ARG A1554 26.401 5.193 78.746 1.00 48.50 C ATOM 524 NE ARG A1554 27.852 5.231 78.570 1.00 50.76 N ATOM 525 CZ ARG A1554 28.486 5.902 77.616 1.00 59.34 C ATOM 526 NH1 ARG A1554 27.803 6.609 76.724 1.00 45.49 N ATOM 527 NH2 ARG A1554 29.807 5.846 77.528 1.00 45.96 N ATOM 528 HE ARG A1554 28.432 4.691 79.244 1.00 0.00 H ATOM 529 HH12 ARG A1554 28.306 7.132 75.979 1.00 0.00 H ATOM 530 HH11 ARG A1554 26.764 6.640 76.770 1.00 0.00 H ATOM 531 HH22 ARG A1554 30.301 6.373 76.780 1.00 0.00 H ATOM 532 HH21 ARG A1554 30.350 5.275 78.207 1.00 0.00 H ATOM 533 H ARG A1554 24.258 5.345 82.431 1.00 0.00 H ATOM 534 N LYS A1555 26.351 7.497 83.916 1.00 46.66 N ATOM 535 CA LYS A1555 26.856 8.549 84.803 1.00 47.92 C ATOM 536 C LYS A1555 27.266 7.901 86.133 1.00 52.93 C ATOM 537 O LYS A1555 28.357 8.177 86.635 1.00 54.27 O ATOM 538 CB LYS A1555 25.771 9.632 84.999 1.00 51.15 C ATOM 539 CG LYS A1555 26.123 10.785 85.936 1.00 74.78 C ATOM 540 CD LYS A1555 24.875 11.531 86.442 1.00 89.18 C ATOM 541 CE LYS A1555 24.336 12.559 85.466 1.00108.78 C ATOM 542 NZ LYS A1555 23.308 13.440 86.085 1.00119.87 N ATOM 543 HZ1 LYS A1555 22.511 12.860 86.417 1.00 0.00 H ATOM 544 HZ2 LYS A1555 23.728 13.948 86.890 1.00 0.00 H ATOM 545 HZ3 LYS A1555 22.970 14.125 85.379 1.00 0.00 H ATOM 546 H LYS A1555 25.353 7.535 83.626 1.00 0.00 H ATOM 547 N ASN A1556 26.413 7.005 86.676 1.00 48.42 N ATOM 548 CA ASN A1556 26.682 6.261 87.908 1.00 47.86 C ATOM 549 C ASN A1556 27.947 5.415 87.783 1.00 51.46 C ATOM 550 O ASN A1556 28.735 5.357 88.730 1.00 52.76 O ATOM 551 CB ASN A1556 25.495 5.372 88.267 1.00 48.05 C ATOM 552 CG ASN A1556 24.291 6.136 88.747 1.00 57.34 C ATOM 553 OD1 ASN A1556 24.390 7.295 89.141 1.00 53.10 O ATOM 554 ND2 ASN A1556 23.129 5.502 88.737 1.00 44.96 N ATOM 555 HD22 ASN A1556 23.075 4.520 88.398 1.00 0.00 H ATOM 556 HD21 ASN A1556 22.270 5.986 89.068 1.00 0.00 H ATOM 557 H ASN A1556 25.510 6.833 86.189 1.00 0.00 H ATOM 558 N ILE A1557 28.156 4.794 86.603 1.00 44.06 N ATOM 559 CA ILE A1557 29.333 3.973 86.318 1.00 42.85 C ATOM 560 C ILE A1557 30.599 4.855 86.323 1.00 48.70 C ATOM 561 O ILE A1557 31.609 4.451 86.895 1.00 47.41 O ATOM 562 CB ILE A1557 29.167 3.186 84.992 1.00 43.91 C ATOM 563 CG1 ILE A1557 28.064 2.093 85.111 1.00 44.16 C ATOM 564 CG2 ILE A1557 30.499 2.566 84.542 1.00 42.47 C ATOM 565 CD1 ILE A1557 27.538 1.608 83.771 1.00 45.46 C ATOM 566 H ILE A1557 27.441 4.905 85.856 1.00 0.00 H ATOM 567 N SER A1558 30.537 6.046 85.675 1.00 48.33 N ATOM 568 CA SER A1558 31.643 7.026 85.624 1.00 50.21 C ATOM 569 C SER A1558 32.111 7.431 87.017 1.00 55.61 C ATOM 570 O SER A1558 33.289 7.724 87.204 1.00 57.87 O ATOM 571 CB SER A1558 31.209 8.286 84.881 1.00 55.80 C ATOM 572 OG SER A1558 31.221 8.066 83.480 1.00 73.60 O ATOM 573 HG SER A1558 30.597 7.330 83.257 1.00 0.00 H ATOM 574 H SER A1558 29.653 6.285 85.182 1.00 0.00 H ATOM 575 N LYS A1559 31.175 7.479 87.977 1.00 52.12 N ATOM 576 CA LYS A1559 31.392 7.876 89.371 1.00 51.77 C ATOM 577 C LYS A1559 31.705 6.666 90.239 1.00 55.28 C ATOM 578 O LYS A1559 31.941 6.823 91.441 1.00 53.34 O ATOM 579 CB LYS A1559 30.164 8.632 89.909 1.00 53.83 C ATOM 580 CG LYS A1559 29.971 9.996 89.249 1.00 66.91 C ATOM 581 CD LYS A1559 28.613 10.588 89.563 1.00 78.85 C ATOM 582 CE LYS A1559 28.384 11.868 88.799 1.00 95.33 C ATOM 583 NZ LYS A1559 27.019 12.408 89.024 1.00109.25 N ATOM 584 HZ1 LYS A1559 26.315 11.710 88.710 1.00 0.00 H ATOM 585 HZ2 LYS A1559 26.888 12.604 90.037 1.00 0.00 H ATOM 586 HZ3 LYS A1559 26.902 13.288 88.482 1.00 0.00 H ATOM 587 H LYS A1559 30.207 7.210 87.707 1.00 0.00 H ATOM 588 N HIS A1560 31.726 5.450 89.624 1.00 50.78 N ATOM 589 CA HIS A1560 32.015 4.183 90.299 1.00 49.68 C ATOM 590 C HIS A1560 31.022 3.885 91.431 1.00 53.71 C ATOM 591 O HIS A1560 31.417 3.408 92.495 1.00 53.91 O ATOM 592 CB HIS A1560 33.492 4.094 90.775 1.00 50.89 C ATOM 593 CG HIS A1560 34.495 4.455 89.726 1.00 53.90 C ATOM 594 ND1 HIS A1560 34.682 3.669 88.609 1.00 54.93 N ATOM 595 CD2 HIS A1560 35.332 5.515 89.660 1.00 55.77 C ATOM 596 CE1 HIS A1560 35.617 4.278 87.894 1.00 54.42 C ATOM 597 NE2 HIS A1560 36.038 5.393 88.488 1.00 55.21 N ATOM 598 H HIS A1560 31.523 5.420 88.605 1.00 0.00 H ATOM 599 N LYS A1561 29.722 4.144 91.188 1.00 50.11 N ATOM 600 CA LYS A1561 28.647 3.848 92.147 1.00 49.12 C ATOM 601 C LYS A1561 28.557 2.326 92.403 1.00 52.23 C ATOM 602 O LYS A1561 28.272 1.901 93.524 1.00 52.94 O ATOM 603 CB LYS A1561 27.289 4.374 91.619 1.00 49.78 C ATOM 604 CG LYS A1561 26.085 3.939 92.467 1.00 50.48 C ATOM 605 CD LYS A1561 24.748 4.433 91.922 1.00 55.40 C ATOM 606 CE LYS A1561 23.595 3.866 92.720 1.00 60.12 C ATOM 607 NZ LYS A1561 22.280 4.324 92.205 1.00 62.91 N ATOM 608 HZ1 LYS A1561 22.231 5.362 92.257 1.00 0.00 H ATOM 609 HZ2 LYS A1561 22.171 4.020 91.217 1.00 0.00 H ATOM 610 HZ3 LYS A1561 21.520 3.911 92.782 1.00 0.00 H ATOM 611 H LYS A1561 29.466 4.575 90.277 1.00 0.00 H ATOM 612 N TYR A1562 28.790 1.512 91.360 1.00 46.15 N ATOM 613 CA TYR A1562 28.654 0.068 91.492 1.00 44.71 C ATOM 614 C TYR A1562 29.962 -0.651 91.815 1.00 50.47 C ATOM 615 O TYR A1562 30.924 -0.592 91.045 1.00 50.68 O ATOM 616 CB TYR A1562 27.979 -0.518 90.234 1.00 43.65 C ATOM 617 CG TYR A1562 26.833 0.326 89.721 1.00 42.23 C ATOM 618 CD1 TYR A1562 25.665 0.486 90.469 1.00 42.93 C ATOM 619 CD2 TYR A1562 26.914 0.970 88.493 1.00 41.59 C ATOM 620 CE1 TYR A1562 24.599 1.246 89.993 1.00 42.04 C ATOM 621 CE2 TYR A1562 25.855 1.737 88.009 1.00 42.20 C ATOM 622 CZ TYR A1562 24.699 1.869 88.761 1.00 46.77 C ATOM 623 OH TYR A1562 23.658 2.616 88.274 1.00 46.88 O ATOM 624 HH TYR A1562 22.914 2.609 88.928 1.00 0.00 H ATOM 625 H TYR A1562 29.072 1.919 90.445 1.00 0.00 H ATOM 626 N GLN A1563 29.970 -1.350 92.959 1.00 48.31 N ATOM 627 CA GLN A1563 31.078 -2.160 93.483 1.00 48.31 C ATOM 628 C GLN A1563 30.800 -3.624 93.199 1.00 51.49 C ATOM 629 O GLN A1563 31.695 -4.457 93.339 1.00 51.69 O ATOM 630 CB GLN A1563 31.211 -1.970 95.009 1.00 50.21 C ATOM 631 CG GLN A1563 32.095 -0.800 95.431 1.00 63.83 C ATOM 632 CD GLN A1563 31.409 0.524 95.289 1.00 83.14 C ATOM 633 OE1 GLN A1563 30.562 0.908 96.106 1.00 85.68 O ATOM 634 NE2 GLN A1563 31.769 1.254 94.249 1.00 71.11 N ATOM 635 HE22 GLN A1563 32.485 0.896 93.585 1.00 0.00 H ATOM 636 HE21 GLN A1563 31.337 2.187 94.094 1.00 0.00 H ATOM 637 H GLN A1563 29.104 -1.315 93.534 1.00 0.00 H ATOM 638 N SER A1564 29.549 -3.939 92.833 1.00 47.20 N ATOM 639 CA SER A1564 29.099 -5.289 92.540 1.00 47.47 C ATOM 640 C SER A1564 27.959 -5.262 91.504 1.00 53.38 C ATOM 641 O SER A1564 27.384 -4.195 91.238 1.00 52.67 O ATOM 642 CB SER A1564 28.632 -5.974 93.821 1.00 51.39 C ATOM 643 OG SER A1564 27.426 -5.400 94.295 1.00 64.17 O ATOM 644 HG SER A1564 27.146 -5.862 95.125 1.00 0.00 H ATOM 645 H SER A1564 28.856 -3.167 92.754 1.00 0.00 H ATOM 646 N ARG A1565 27.623 -6.446 90.949 1.00 49.95 N ATOM 647 CA ARG A1565 26.542 -6.598 89.975 1.00 50.17 C ATOM 648 C ARG A1565 25.186 -6.320 90.577 1.00 55.83 C ATOM 649 O ARG A1565 24.309 -5.827 89.885 1.00 56.12 O ATOM 650 CB ARG A1565 26.526 -8.001 89.397 1.00 47.68 C ATOM 651 CG ARG A1565 27.515 -8.181 88.291 1.00 50.92 C ATOM 652 CD ARG A1565 27.646 -9.642 87.985 1.00 53.73 C ATOM 653 NE ARG A1565 28.552 -10.303 88.918 1.00 49.50 N ATOM 654 CZ ARG A1565 28.938 -11.562 88.801 1.00 55.77 C ATOM 655 NH1 ARG A1565 28.484 -12.313 87.809 1.00 49.25 N ATOM 656 NH2 ARG A1565 29.778 -12.084 89.677 1.00 49.46 N ATOM 657 HE ARG A1565 28.915 -9.752 89.722 1.00 0.00 H ATOM 658 HH12 ARG A1565 28.792 -13.303 87.723 1.00 0.00 H ATOM 659 HH11 ARG A1565 27.820 -11.913 87.116 1.00 0.00 H ATOM 660 HH22 ARG A1565 30.079 -13.075 89.582 1.00 0.00 H ATOM 661 HH21 ARG A1565 30.138 -11.504 90.462 1.00 0.00 H ATOM 662 H ARG A1565 28.159 -7.292 91.228 1.00 0.00 H ATOM 663 N GLU A1566 25.018 -6.636 91.856 1.00 53.21 N ATOM 664 CA GLU A1566 23.778 -6.477 92.602 1.00 53.37 C ATOM 665 C GLU A1566 23.293 -5.039 92.614 1.00 53.40 C ATOM 666 O GLU A1566 22.141 -4.811 92.261 1.00 50.61 O ATOM 667 CB GLU A1566 23.917 -7.082 94.008 1.00 55.89 C ATOM 668 CG GLU A1566 23.974 -8.614 93.978 1.00 67.58 C ATOM 669 CD GLU A1566 25.198 -9.293 93.374 1.00 89.34 C ATOM 670 OE1 GLU A1566 25.009 -10.321 92.682 1.00 97.56 O ATOM 671 OE2 GLU A1566 26.337 -8.805 93.579 1.00 67.22 O ATOM 672 H GLU A1566 25.836 -7.028 92.364 1.00 0.00 H ATOM 673 N SER A1567 24.170 -4.071 92.933 1.00 49.82 N ATOM 674 CA SER A1567 23.782 -2.658 92.920 1.00 49.10 C ATOM 675 C SER A1567 23.494 -2.175 91.485 1.00 49.60 C ATOM 676 O SER A1567 22.545 -1.422 91.282 1.00 49.60 O ATOM 677 CB SER A1567 24.829 -1.781 93.608 1.00 53.90 C ATOM 678 OG SER A1567 26.080 -1.809 92.940 1.00 66.37 O ATOM 679 HG SER A1567 26.722 -1.229 93.420 1.00 0.00 H ATOM 680 H SER A1567 25.143 -4.330 93.194 1.00 0.00 H ATOM 681 N PHE A1568 24.268 -2.666 90.496 1.00 44.02 N ATOM 682 CA PHE A1568 24.090 -2.357 89.071 1.00 41.71 C ATOM 683 C PHE A1568 22.731 -2.870 88.597 1.00 42.89 C ATOM 684 O PHE A1568 21.963 -2.095 88.031 1.00 40.29 O ATOM 685 CB PHE A1568 25.246 -2.943 88.233 1.00 42.26 C ATOM 686 CG PHE A1568 25.087 -2.846 86.734 1.00 41.63 C ATOM 687 CD1 PHE A1568 25.119 -1.611 86.092 1.00 43.07 C ATOM 688 CD2 PHE A1568 24.930 -3.992 85.961 1.00 42.23 C ATOM 689 CE1 PHE A1568 24.973 -1.525 84.704 1.00 43.62 C ATOM 690 CE2 PHE A1568 24.822 -3.910 84.572 1.00 44.48 C ATOM 691 CZ PHE A1568 24.831 -2.676 83.951 1.00 42.65 C ATOM 692 H PHE A1568 25.043 -3.307 90.760 1.00 0.00 H ATOM 693 N LEU A1569 22.400 -4.139 88.929 1.00 39.85 N ATOM 694 CA LEU A1569 21.126 -4.784 88.592 1.00 38.82 C ATOM 695 C LEU A1569 19.922 -4.130 89.266 1.00 45.08 C ATOM 696 O LEU A1569 18.854 -4.107 88.668 1.00 45.47 O ATOM 697 CB LEU A1569 21.152 -6.302 88.850 1.00 38.44 C ATOM 698 CG LEU A1569 21.990 -7.127 87.849 1.00 42.74 C ATOM 699 CD1 LEU A1569 22.217 -8.543 88.365 1.00 42.37 C ATOM 700 CD2 LEU A1569 21.357 -7.128 86.443 1.00 43.19 C ATOM 701 H LEU A1569 23.098 -4.697 89.461 1.00 0.00 H ATOM 702 N ASP A1570 20.091 -3.562 90.472 1.00 43.95 N ATOM 703 CA ASP A1570 19.012 -2.838 91.155 1.00 44.53 C ATOM 704 C ASP A1570 18.546 -1.664 90.295 1.00 46.50 C ATOM 705 O ASP A1570 17.347 -1.486 90.141 1.00 46.81 O ATOM 706 CB ASP A1570 19.457 -2.322 92.535 1.00 48.10 C ATOM 707 CG ASP A1570 19.481 -3.371 93.629 1.00 60.47 C ATOM 708 OD1 ASP A1570 18.877 -4.461 93.429 1.00 60.56 O ATOM 709 OD2 ASP A1570 20.091 -3.102 94.691 1.00 67.96 O ATOM 710 H ASP A1570 21.018 -3.638 90.937 1.00 0.00 H ATOM 711 N ASP A1571 19.487 -0.898 89.702 1.00 42.81 N ATOM 712 CA ASP A1571 19.155 0.233 88.824 1.00 41.06 C ATOM 713 C ASP A1571 18.598 -0.232 87.472 1.00 43.69 C ATOM 714 O ASP A1571 17.627 0.353 86.983 1.00 43.00 O ATOM 715 CB ASP A1571 20.342 1.188 88.672 1.00 42.10 C ATOM 716 CG ASP A1571 20.509 2.145 89.844 1.00 52.16 C ATOM 717 OD1 ASP A1571 19.582 2.233 90.683 1.00 52.41 O ATOM 718 OD2 ASP A1571 21.562 2.817 89.916 1.00 52.92 O ATOM 719 H ASP A1571 20.489 -1.118 89.874 1.00 0.00 H ATOM 720 N VAL A1572 19.196 -1.289 86.878 1.00 38.54 N ATOM 721 CA VAL A1572 18.759 -1.885 85.600 1.00 36.61 C ATOM 722 C VAL A1572 17.300 -2.392 85.717 1.00 40.31 C ATOM 723 O VAL A1572 16.473 -2.078 84.870 1.00 38.71 O ATOM 724 CB VAL A1572 19.751 -2.980 85.102 1.00 39.01 C ATOM 725 CG1 VAL A1572 19.198 -3.725 83.879 1.00 37.54 C ATOM 726 CG2 VAL A1572 21.127 -2.375 84.785 1.00 38.63 C ATOM 727 H VAL A1572 20.019 -1.711 87.353 1.00 0.00 H ATOM 728 N ASN A1573 16.981 -3.133 86.786 1.00 38.22 N ATOM 729 CA ASN A1573 15.643 -3.675 87.029 1.00 37.89 C ATOM 730 C ASN A1573 14.585 -2.610 87.263 1.00 41.22 C ATOM 731 O ASN A1573 13.417 -2.887 87.008 1.00 39.96 O ATOM 732 CB ASN A1573 15.650 -4.680 88.174 1.00 41.14 C ATOM 733 CG ASN A1573 16.339 -5.968 87.801 1.00 55.99 C ATOM 734 OD1 ASN A1573 16.264 -6.453 86.671 1.00 53.51 O ATOM 735 ND2 ASN A1573 17.015 -6.552 88.746 1.00 44.38 N ATOM 736 HD22 ASN A1573 17.063 -6.123 89.692 1.00 0.00 H ATOM 737 HD21 ASN A1573 17.507 -7.448 88.556 1.00 0.00 H ATOM 738 H ASN A1573 17.726 -3.335 87.483 1.00 0.00 H ATOM 739 N LEU A1574 14.985 -1.400 87.730 1.00 39.19 N ATOM 740 CA LEU A1574 14.090 -0.242 87.885 1.00 40.88 C ATOM 741 C LEU A1574 13.537 0.163 86.538 1.00 43.17 C ATOM 742 O LEU A1574 12.388 0.572 86.477 1.00 43.71 O ATOM 743 CB LEU A1574 14.832 0.978 88.450 1.00 42.08 C ATOM 744 CG LEU A1574 14.493 1.448 89.841 1.00 46.89 C ATOM 745 CD1 LEU A1574 15.338 2.689 90.202 1.00 46.76 C ATOM 746 CD2 LEU A1574 12.989 1.747 89.990 1.00 46.67 C ATOM 747 H LEU A1574 15.984 -1.284 87.994 1.00 0.00 H ATOM 748 N ILE A1575 14.347 0.076 85.459 1.00 40.16 N ATOM 749 CA ILE A1575 13.890 0.396 84.090 1.00 39.97 C ATOM 750 C ILE A1575 12.669 -0.469 83.706 1.00 41.46 C ATOM 751 O ILE A1575 11.660 0.055 83.218 1.00 41.09 O ATOM 752 CB ILE A1575 15.062 0.290 83.080 1.00 43.30 C ATOM 753 CG1 ILE A1575 16.005 1.515 83.246 1.00 44.56 C ATOM 754 CG2 ILE A1575 14.568 0.180 81.637 1.00 45.70 C ATOM 755 CD1 ILE A1575 17.339 1.342 82.669 1.00 48.67 C ATOM 756 H ILE A1575 15.332 -0.228 85.598 1.00 0.00 H ATOM 757 N LEU A1576 12.741 -1.774 84.014 1.00 37.54 N ATOM 758 CA LEU A1576 11.622 -2.669 83.740 1.00 36.79 C ATOM 759 C LEU A1576 10.424 -2.367 84.668 1.00 41.02 C ATOM 760 O LEU A1576 9.312 -2.216 84.161 1.00 39.78 O ATOM 761 CB LEU A1576 12.061 -4.128 83.835 1.00 36.33 C ATOM 762 CG LEU A1576 11.000 -5.208 83.655 1.00 40.66 C ATOM 763 CD1 LEU A1576 10.235 -5.060 82.306 1.00 39.54 C ATOM 764 CD2 LEU A1576 11.658 -6.598 83.754 1.00 43.25 C ATOM 765 H LEU A1576 13.605 -2.151 84.453 1.00 0.00 H ATOM 766 N ALA A1577 10.659 -2.249 86.000 1.00 37.87 N ATOM 767 CA ALA A1577 9.614 -1.971 87.006 1.00 38.56 C ATOM 768 C ALA A1577 8.874 -0.667 86.706 1.00 41.49 C ATOM 769 O ALA A1577 7.648 -0.644 86.767 1.00 40.42 O ATOM 770 CB ALA A1577 10.214 -1.937 88.407 1.00 39.43 C ATOM 771 H ALA A1577 11.638 -2.362 86.333 1.00 0.00 H ATOM 772 N ASN A1578 9.615 0.399 86.337 1.00 38.82 N ATOM 773 CA ASN A1578 9.027 1.690 85.954 1.00 39.30 C ATOM 774 C ASN A1578 8.155 1.576 84.729 1.00 41.31 C ATOM 775 O ASN A1578 7.075 2.154 84.711 1.00 42.24 O ATOM 776 CB ASN A1578 10.098 2.759 85.766 1.00 37.99 C ATOM 777 CG ASN A1578 10.714 3.189 87.076 1.00 49.00 C ATOM 778 OD1 ASN A1578 10.148 2.979 88.161 1.00 38.14 O ATOM 779 ND2 ASN A1578 11.871 3.830 87.000 1.00 38.21 N ATOM 780 HD22 ASN A1578 12.318 3.989 86.074 1.00 0.00 H ATOM 781 HD21 ASN A1578 12.333 4.174 87.866 1.00 0.00 H ATOM 782 H ASN A1578 10.650 0.302 86.323 1.00 0.00 H ATOM 783 N SER A1579 8.604 0.809 83.714 1.00 37.23 N ATOM 784 CA SER A1579 7.803 0.600 82.507 1.00 35.93 C ATOM 785 C SER A1579 6.514 -0.164 82.817 1.00 40.63 C ATOM 786 O SER A1579 5.466 0.214 82.276 1.00 39.44 O ATOM 787 CB SER A1579 8.580 -0.137 81.426 1.00 37.29 C ATOM 788 OG SER A1579 7.809 -0.136 80.234 1.00 40.23 O ATOM 789 HG SER A1579 6.946 -0.592 80.400 1.00 0.00 H ATOM 790 H SER A1579 9.538 0.357 83.791 1.00 0.00 H ATOM 791 N VAL A1580 6.571 -1.233 83.678 1.00 39.51 N ATOM 792 CA VAL A1580 5.336 -1.975 83.979 1.00 41.37 C ATOM 793 C VAL A1580 4.378 -1.057 84.748 1.00 45.53 C ATOM 794 O VAL A1580 3.210 -1.064 84.415 1.00 46.94 O ATOM 795 CB VAL A1580 5.410 -3.432 84.574 1.00 46.22 C ATOM 796 CG1 VAL A1580 6.806 -4.030 84.627 1.00 45.43 C ATOM 797 CG2 VAL A1580 4.624 -3.622 85.871 1.00 46.08 C ATOM 798 H VAL A1580 7.474 -1.514 84.111 1.00 0.00 H ATOM 799 N LYS A1581 4.872 -0.203 85.659 1.00 41.90 N ATOM 800 CA LYS A1581 4.025 0.724 86.416 1.00 43.19 C ATOM 801 C LYS A1581 3.427 1.814 85.509 1.00 48.45 C ATOM 802 O LYS A1581 2.231 2.080 85.583 1.00 49.10 O ATOM 803 CB LYS A1581 4.825 1.358 87.564 1.00 45.62 C ATOM 804 CG LYS A1581 3.948 2.043 88.586 1.00 63.73 C ATOM 805 CD LYS A1581 4.706 2.320 89.873 1.00 77.40 C ATOM 806 CE LYS A1581 3.835 2.999 90.912 1.00 94.45 C ATOM 807 NZ LYS A1581 3.351 4.336 90.476 1.00103.23 N ATOM 808 HZ1 LYS A1581 4.166 4.955 90.291 1.00 0.00 H ATOM 809 HZ2 LYS A1581 2.788 4.233 89.608 1.00 0.00 H ATOM 810 HZ3 LYS A1581 2.762 4.751 91.226 1.00 0.00 H ATOM 811 H LYS A1581 5.897 -0.199 85.835 1.00 0.00 H ATOM 812 N TYR A1582 4.246 2.425 84.643 1.00 42.88 N ATOM 813 CA TYR A1582 3.740 3.516 83.813 1.00 42.09 C ATOM 814 C TYR A1582 2.956 3.068 82.561 1.00 46.28 C ATOM 815 O TYR A1582 1.933 3.669 82.237 1.00 47.83 O ATOM 816 CB TYR A1582 4.887 4.477 83.427 1.00 41.64 C ATOM 817 CG TYR A1582 4.375 5.747 82.800 1.00 41.37 C ATOM 818 CD1 TYR A1582 3.808 6.754 83.582 1.00 43.31 C ATOM 819 CD2 TYR A1582 4.356 5.904 81.418 1.00 41.68 C ATOM 820 CE1 TYR A1582 3.239 7.885 83.003 1.00 42.86 C ATOM 821 CE2 TYR A1582 3.797 7.034 80.829 1.00 43.16 C ATOM 822 CZ TYR A1582 3.235 8.018 81.627 1.00 49.01 C ATOM 823 OH TYR A1582 2.701 9.127 81.044 1.00 49.71 O ATOM 824 HH TYR A1582 2.344 9.727 81.745 1.00 0.00 H ATOM 825 H TYR A1582 5.238 2.124 84.562 1.00 0.00 H ATOM 826 N ASN A1583 3.475 2.082 81.832 1.00 40.21 N ATOM 827 CA ASN A1583 2.918 1.630 80.562 1.00 40.17 C ATOM 828 C ASN A1583 2.012 0.412 80.633 1.00 44.90 C ATOM 829 O ASN A1583 1.238 0.167 79.711 1.00 44.88 O ATOM 830 CB ASN A1583 4.083 1.359 79.587 1.00 38.03 C ATOM 831 CG ASN A1583 4.968 2.561 79.383 1.00 50.40 C ATOM 832 OD1 ASN A1583 4.514 3.616 78.962 1.00 42.64 O ATOM 833 ND2 ASN A1583 6.245 2.429 79.682 1.00 40.79 N ATOM 834 HD22 ASN A1583 6.604 1.520 80.038 1.00 0.00 H ATOM 835 HD21 ASN A1583 6.893 3.233 79.562 1.00 0.00 H ATOM 836 H ASN A1583 4.328 1.606 82.189 1.00 0.00 H ATOM 837 N GLY A1584 2.166 -0.369 81.689 1.00 42.30 N ATOM 838 CA GLY A1584 1.453 -1.623 81.838 1.00 42.28 C ATOM 839 C GLY A1584 2.349 -2.765 81.399 1.00 45.86 C ATOM 840 O GLY A1584 3.240 -2.570 80.557 1.00 42.46 O ATOM 841 H GLY A1584 2.822 -0.073 82.440 1.00 0.00 H ATOM 842 N PRO A1585 2.140 -3.979 81.959 1.00 44.90 N ATOM 843 CA PRO A1585 2.992 -5.136 81.569 1.00 44.67 C ATOM 844 C PRO A1585 2.885 -5.593 80.112 1.00 48.62 C ATOM 845 O PRO A1585 3.828 -6.183 79.588 1.00 48.84 O ATOM 846 CB PRO A1585 2.549 -6.249 82.525 1.00 46.62 C ATOM 847 CG PRO A1585 1.166 -5.837 82.974 1.00 51.59 C ATOM 848 CD PRO A1585 1.141 -4.348 82.984 1.00 46.67 C ATOM 849 N GLU A1586 1.750 -5.316 79.461 1.00 46.43 N ATOM 850 CA GLU A1586 1.460 -5.717 78.076 1.00 46.29 C ATOM 851 C GLU A1586 2.041 -4.765 77.010 1.00 49.12 C ATOM 852 O GLU A1586 2.061 -5.122 75.835 1.00 50.05 O ATOM 853 CB GLU A1586 -0.073 -5.897 77.879 1.00 47.85 C ATOM 854 CG GLU A1586 -0.873 -4.606 77.687 1.00 53.98 C ATOM 855 CD GLU A1586 -1.028 -3.647 78.861 1.00 71.94 C ATOM 856 OE1 GLU A1586 -0.692 -4.026 80.004 1.00 53.06 O ATOM 857 OE2 GLU A1586 -1.496 -2.509 78.635 1.00 69.93 O ATOM 858 H GLU A1586 1.020 -4.778 79.971 1.00 0.00 H ATOM 859 N SER A1587 2.495 -3.563 77.419 1.00 43.73 N ATOM 860 CA SER A1587 3.022 -2.524 76.523 1.00 41.65 C ATOM 861 C SER A1587 4.258 -2.911 75.747 1.00 41.97 C ATOM 862 O SER A1587 5.106 -3.634 76.271 1.00 39.69 O ATOM 863 CB SER A1587 3.293 -1.241 77.308 1.00 44.17 C ATOM 864 OG SER A1587 3.899 -0.228 76.514 1.00 46.52 O ATOM 865 HG SER A1587 4.052 0.577 77.069 1.00 0.00 H ATOM 866 H SER A1587 2.471 -3.357 78.438 1.00 0.00 H ATOM 867 N GLN A1588 4.412 -2.352 74.522 1.00 37.40 N ATOM 868 CA GLN A1588 5.617 -2.546 73.696 1.00 37.22 C ATOM 869 C GLN A1588 6.856 -1.906 74.395 1.00 39.74 C ATOM 870 O GLN A1588 7.975 -2.396 74.220 1.00 38.33 O ATOM 871 CB GLN A1588 5.421 -1.964 72.280 1.00 39.39 C ATOM 872 CG GLN A1588 6.059 -2.759 71.144 1.00 66.23 C ATOM 873 CD GLN A1588 5.792 -4.254 71.143 1.00 80.98 C ATOM 874 OE1 GLN A1588 6.719 -5.053 71.023 1.00 74.57 O ATOM 875 NE2 GLN A1588 4.532 -4.671 71.265 1.00 74.87 N ATOM 876 HE22 GLN A1588 3.763 -3.979 71.365 1.00 0.00 H ATOM 877 HE21 GLN A1588 4.318 -5.689 71.260 1.00 0.00 H ATOM 878 H GLN A1588 3.644 -1.759 74.148 1.00 0.00 H ATOM 879 N TYR A1589 6.646 -0.844 75.225 1.00 35.34 N ATOM 880 CA TYR A1589 7.730 -0.258 76.042 1.00 34.42 C ATOM 881 C TYR A1589 8.240 -1.290 77.012 1.00 36.03 C ATOM 882 O TYR A1589 9.448 -1.431 77.160 1.00 36.66 O ATOM 883 CB TYR A1589 7.237 0.955 76.857 1.00 35.02 C ATOM 884 CG TYR A1589 7.019 2.194 76.029 1.00 36.59 C ATOM 885 CD1 TYR A1589 8.085 3.021 75.683 1.00 37.67 C ATOM 886 CD2 TYR A1589 5.733 2.591 75.659 1.00 37.70 C ATOM 887 CE1 TYR A1589 7.891 4.155 74.903 1.00 38.04 C ATOM 888 CE2 TYR A1589 5.525 3.746 74.912 1.00 38.33 C ATOM 889 CZ TYR A1589 6.609 4.522 74.539 1.00 44.46 C ATOM 890 OH TYR A1589 6.418 5.662 73.820 1.00 45.16 O ATOM 891 HH TYR A1589 5.977 5.440 72.962 1.00 0.00 H ATOM 892 H TYR A1589 5.692 -0.433 75.285 1.00 0.00 H ATOM 893 N THR A1590 7.323 -2.015 77.678 1.00 33.19 N ATOM 894 CA THR A1590 7.686 -3.059 78.660 1.00 33.22 C ATOM 895 C THR A1590 8.451 -4.225 77.991 1.00 37.71 C ATOM 896 O THR A1590 9.424 -4.726 78.569 1.00 36.50 O ATOM 897 CB THR A1590 6.458 -3.487 79.461 1.00 35.85 C ATOM 898 OG1 THR A1590 5.987 -2.324 80.152 1.00 39.81 O ATOM 899 CG2 THR A1590 6.772 -4.584 80.497 1.00 35.18 C ATOM 900 HG1 THR A1590 5.187 -2.560 80.686 1.00 0.00 H ATOM 901 H THR A1590 6.316 -1.833 77.494 1.00 0.00 H ATOM 902 N LYS A1591 8.040 -4.606 76.774 1.00 34.30 N ATOM 903 CA LYS A1591 8.690 -5.663 75.988 1.00 34.77 C ATOM 904 C LYS A1591 10.133 -5.259 75.663 1.00 38.71 C ATOM 905 O LYS A1591 11.038 -6.075 75.799 1.00 37.46 O ATOM 906 CB LYS A1591 7.898 -5.941 74.708 1.00 36.77 C ATOM 907 CG LYS A1591 6.678 -6.804 74.979 1.00 47.60 C ATOM 908 CD LYS A1591 5.930 -7.107 73.696 1.00 60.92 C ATOM 909 CE LYS A1591 4.714 -7.981 73.915 1.00 69.91 C ATOM 910 NZ LYS A1591 3.690 -7.313 74.755 1.00 73.54 N ATOM 911 HZ1 LYS A1591 4.099 -7.088 75.684 1.00 0.00 H ATOM 912 HZ2 LYS A1591 3.380 -6.436 74.290 1.00 0.00 H ATOM 913 HZ3 LYS A1591 2.876 -7.948 74.878 1.00 0.00 H ATOM 914 H LYS A1591 7.214 -4.126 76.363 1.00 0.00 H ATOM 915 N THR A1592 10.339 -3.988 75.263 1.00 35.66 N ATOM 916 CA THR A1592 11.661 -3.435 75.021 1.00 35.17 C ATOM 917 C THR A1592 12.448 -3.412 76.322 1.00 37.59 C ATOM 918 O THR A1592 13.571 -3.898 76.318 1.00 36.07 O ATOM 919 CB THR A1592 11.574 -2.072 74.371 1.00 37.38 C ATOM 920 OG1 THR A1592 10.771 -2.224 73.219 1.00 37.99 O ATOM 921 CG2 THR A1592 12.954 -1.526 73.984 1.00 34.90 C ATOM 922 HG1 THR A1592 9.873 -2.547 73.484 1.00 0.00 H ATOM 923 H THR A1592 9.512 -3.374 75.121 1.00 0.00 H ATOM 924 N ALA A1593 11.861 -2.892 77.434 1.00 33.16 N ATOM 925 CA ALA A1593 12.558 -2.864 78.738 1.00 33.57 C ATOM 926 C ALA A1593 12.997 -4.277 79.178 1.00 35.83 C ATOM 927 O ALA A1593 14.135 -4.448 79.653 1.00 33.36 O ATOM 928 CB ALA A1593 11.685 -2.216 79.813 1.00 34.58 C ATOM 929 H ALA A1593 10.898 -2.505 77.365 1.00 0.00 H ATOM 930 N GLN A1594 12.141 -5.294 78.937 1.00 32.15 N ATOM 931 CA GLN A1594 12.457 -6.681 79.263 1.00 32.95 C ATOM 932 C GLN A1594 13.670 -7.193 78.448 1.00 35.41 C ATOM 933 O GLN A1594 14.514 -7.906 78.984 1.00 32.68 O ATOM 934 CB GLN A1594 11.220 -7.589 79.055 1.00 33.92 C ATOM 935 CG GLN A1594 11.449 -9.060 79.388 1.00 39.51 C ATOM 936 CD GLN A1594 11.739 -9.323 80.850 1.00 43.24 C ATOM 937 OE1 GLN A1594 10.896 -9.147 81.716 1.00 37.94 O ATOM 938 NE2 GLN A1594 12.944 -9.757 81.155 1.00 39.24 N ATOM 939 HE22 GLN A1594 13.650 -9.901 80.405 1.00 0.00 H ATOM 940 HE21 GLN A1594 13.190 -9.955 82.146 1.00 0.00 H ATOM 941 H GLN A1594 11.221 -5.080 78.502 1.00 0.00 H ATOM 942 N GLU A1595 13.755 -6.803 77.186 1.00 33.95 N ATOM 943 CA GLU A1595 14.841 -7.168 76.267 1.00 35.68 C ATOM 944 C GLU A1595 16.160 -6.472 76.699 1.00 37.55 C ATOM 945 O GLU A1595 17.227 -7.074 76.631 1.00 36.19 O ATOM 946 CB GLU A1595 14.425 -6.801 74.819 1.00 38.05 C ATOM 947 CG GLU A1595 15.220 -7.477 73.713 1.00 57.22 C ATOM 948 CD GLU A1595 14.833 -7.114 72.281 1.00 96.84 C ATOM 949 OE1 GLU A1595 13.750 -6.512 72.074 1.00 91.24 O ATOM 950 OE2 GLU A1595 15.621 -7.438 71.360 1.00 93.38 O ATOM 951 H GLU A1595 12.997 -6.193 76.818 1.00 0.00 H ATOM 952 N ILE A1596 16.076 -5.247 77.234 1.00 34.18 N ATOM 953 CA ILE A1596 17.257 -4.518 77.764 1.00 33.15 C ATOM 954 C ILE A1596 17.788 -5.271 78.993 1.00 35.82 C ATOM 955 O ILE A1596 18.997 -5.459 79.134 1.00 36.38 O ATOM 956 CB ILE A1596 16.855 -3.060 78.121 1.00 36.30 C ATOM 957 CG1 ILE A1596 16.660 -2.218 76.844 1.00 35.97 C ATOM 958 CG2 ILE A1596 17.846 -2.417 79.114 1.00 35.86 C ATOM 959 CD1 ILE A1596 16.019 -0.828 77.101 1.00 35.17 C ATOM 960 H ILE A1596 15.145 -4.787 77.280 1.00 0.00 H ATOM 961 N VAL A1597 16.875 -5.692 79.872 1.00 33.81 N ATOM 962 CA VAL A1597 17.148 -6.465 81.101 1.00 34.56 C ATOM 963 C VAL A1597 17.765 -7.825 80.706 1.00 39.26 C ATOM 964 O VAL A1597 18.753 -8.264 81.305 1.00 40.31 O ATOM 965 CB VAL A1597 15.850 -6.622 81.963 1.00 38.70 C ATOM 966 CG1 VAL A1597 15.985 -7.729 83.017 1.00 39.10 C ATOM 967 CG2 VAL A1597 15.468 -5.302 82.637 1.00 39.12 C ATOM 968 H VAL A1597 15.882 -5.454 79.673 1.00 0.00 H ATOM 969 N ASN A1598 17.173 -8.486 79.706 1.00 35.16 N ATOM 970 CA ASN A1598 17.647 -9.793 79.257 1.00 36.09 C ATOM 971 C ASN A1598 19.084 -9.771 78.803 1.00 38.62 C ATOM 972 O ASN A1598 19.884 -10.585 79.250 1.00 37.46 O ATOM 973 CB ASN A1598 16.768 -10.342 78.123 1.00 37.01 C ATOM 974 CG ASN A1598 15.400 -10.776 78.563 1.00 46.97 C ATOM 975 OD1 ASN A1598 15.112 -10.934 79.750 1.00 42.03 O ATOM 976 ND2 ASN A1598 14.520 -10.956 77.604 1.00 39.44 N ATOM 977 HD22 ASN A1598 14.796 -10.814 76.611 1.00 0.00 H ATOM 978 HD21 ASN A1598 13.547 -11.240 77.837 1.00 0.00 H ATOM 979 H ASN A1598 16.351 -8.057 79.234 1.00 0.00 H ATOM 980 N VAL A1599 19.412 -8.831 77.930 1.00 35.28 N ATOM 981 CA VAL A1599 20.733 -8.764 77.353 1.00 36.54 C ATOM 982 C VAL A1599 21.776 -8.411 78.429 1.00 41.01 C ATOM 983 O VAL A1599 22.902 -8.903 78.380 1.00 38.26 O ATOM 984 CB VAL A1599 20.761 -7.861 76.095 1.00 41.33 C ATOM 985 CG1 VAL A1599 20.909 -6.392 76.449 1.00 40.87 C ATOM 986 CG2 VAL A1599 21.859 -8.304 75.146 1.00 42.30 C ATOM 987 H VAL A1599 18.701 -8.124 77.654 1.00 0.00 H ATOM 988 N CYS A1600 21.349 -7.641 79.447 1.00 38.78 N ATOM 989 CA CYS A1600 22.178 -7.290 80.580 1.00 38.99 C ATOM 990 C CYS A1600 22.482 -8.551 81.401 1.00 40.36 C ATOM 991 O CYS A1600 23.651 -8.843 81.644 1.00 38.78 O ATOM 992 CB CYS A1600 21.498 -6.223 81.429 1.00 40.21 C ATOM 993 SG CYS A1600 22.490 -5.686 82.838 1.00 44.96 S ATOM 994 H CYS A1600 20.374 -7.280 79.418 1.00 0.00 H ATOM 995 N TYR A1601 21.441 -9.294 81.825 1.00 35.61 N ATOM 996 CA TYR A1601 21.639 -10.535 82.601 1.00 36.93 C ATOM 997 C TYR A1601 22.491 -11.555 81.835 1.00 40.36 C ATOM 998 O TYR A1601 23.411 -12.121 82.416 1.00 41.08 O ATOM 999 CB TYR A1601 20.299 -11.170 83.007 1.00 38.02 C ATOM 1000 CG TYR A1601 19.733 -10.611 84.291 1.00 41.43 C ATOM 1001 CD1 TYR A1601 20.003 -11.216 85.516 1.00 43.32 C ATOM 1002 CD2 TYR A1601 18.926 -9.476 84.286 1.00 43.20 C ATOM 1003 CE1 TYR A1601 19.445 -10.729 86.702 1.00 44.78 C ATOM 1004 CE2 TYR A1601 18.405 -8.948 85.469 1.00 45.20 C ATOM 1005 CZ TYR A1601 18.643 -9.595 86.671 1.00 54.86 C ATOM 1006 OH TYR A1601 18.116 -9.065 87.820 1.00 53.56 O ATOM 1007 HH TYR A1601 18.369 -9.633 88.590 1.00 0.00 H ATOM 1008 H TYR A1601 20.473 -8.986 81.600 1.00 0.00 H ATOM 1009 N GLN A1602 22.210 -11.755 80.537 1.00 36.68 N ATOM 1010 CA GLN A1602 22.938 -12.707 79.697 1.00 36.81 C ATOM 1011 C GLN A1602 24.418 -12.339 79.570 1.00 41.05 C ATOM 1012 O GLN A1602 25.262 -13.225 79.694 1.00 41.27 O ATOM 1013 CB GLN A1602 22.318 -12.842 78.303 1.00 37.55 C ATOM 1014 CG GLN A1602 21.420 -14.070 78.105 1.00 64.79 C ATOM 1015 CD GLN A1602 22.051 -15.428 78.412 1.00 85.27 C ATOM 1016 OE1 GLN A1602 23.227 -15.719 78.113 1.00 76.95 O ATOM 1017 NE2 GLN A1602 21.272 -16.286 79.045 1.00 81.81 N ATOM 1018 HE22 GLN A1602 20.295 -16.022 79.284 1.00 0.00 H ATOM 1019 HE21 GLN A1602 21.636 -17.225 79.304 1.00 0.00 H ATOM 1020 H GLN A1602 21.437 -11.207 80.108 1.00 0.00 H ATOM 1021 N THR A1603 24.722 -11.041 79.369 1.00 37.46 N ATOM 1022 CA THR A1603 26.102 -10.555 79.237 1.00 38.29 C ATOM 1023 C THR A1603 26.853 -10.710 80.557 1.00 42.44 C ATOM 1024 O THR A1603 27.947 -11.260 80.542 1.00 43.48 O ATOM 1025 CB THR A1603 26.158 -9.137 78.642 1.00 40.33 C ATOM 1026 OG1 THR A1603 25.315 -9.105 77.490 1.00 37.17 O ATOM 1027 CG2 THR A1603 27.566 -8.746 78.200 1.00 37.70 C ATOM 1028 HG1 THR A1603 24.387 -9.328 77.755 1.00 0.00 H ATOM 1029 H THR A1603 23.945 -10.353 79.305 1.00 0.00 H ATOM 1030 N LEU A1604 26.247 -10.294 81.687 1.00 38.70 N ATOM 1031 CA LEU A1604 26.849 -10.464 83.018 1.00 39.30 C ATOM 1032 C LEU A1604 27.201 -11.930 83.329 1.00 44.47 C ATOM 1033 O LEU A1604 28.233 -12.185 83.944 1.00 45.37 O ATOM 1034 CB LEU A1604 25.951 -9.904 84.125 1.00 38.74 C ATOM 1035 CG LEU A1604 25.740 -8.393 84.186 1.00 42.26 C ATOM 1036 CD1 LEU A1604 24.653 -8.048 85.192 1.00 41.11 C ATOM 1037 CD2 LEU A1604 27.033 -7.657 84.545 1.00 44.29 C ATOM 1038 H LEU A1604 25.317 -9.835 81.615 1.00 0.00 H ATOM 1039 N THR A1605 26.348 -12.879 82.890 1.00 40.61 N ATOM 1040 CA THR A1605 26.529 -14.324 83.060 1.00 40.49 C ATOM 1041 C THR A1605 27.737 -14.822 82.250 1.00 43.12 C ATOM 1042 O THR A1605 28.527 -15.617 82.749 1.00 40.37 O ATOM 1043 CB THR A1605 25.210 -15.048 82.726 1.00 53.04 C ATOM 1044 OG1 THR A1605 24.238 -14.583 83.654 1.00 50.39 O ATOM 1045 CG2 THR A1605 25.315 -16.565 82.822 1.00 56.67 C ATOM 1046 HG1 THR A1605 24.135 -13.603 83.559 1.00 0.00 H ATOM 1047 H THR A1605 25.493 -12.560 82.391 1.00 0.00 H ATOM 1048 N GLU A1606 27.904 -14.314 81.025 1.00 41.01 N ATOM 1049 CA GLU A1606 29.045 -14.676 80.176 1.00 41.27 C ATOM 1050 C GLU A1606 30.341 -14.151 80.805 1.00 42.82 C ATOM 1051 O GLU A1606 31.411 -14.692 80.536 1.00 42.32 O ATOM 1052 CB GLU A1606 28.880 -14.098 78.752 1.00 42.22 C ATOM 1053 CG GLU A1606 27.647 -14.594 77.988 1.00 50.42 C ATOM 1054 CD GLU A1606 27.394 -16.088 77.874 1.00 75.16 C ATOM 1055 OE1 GLU A1606 26.210 -16.490 77.826 1.00 83.22 O ATOM 1056 OE2 GLU A1606 28.377 -16.859 77.810 1.00 68.38 O ATOM 1057 H GLU A1606 27.201 -13.639 80.661 1.00 0.00 H ATOM 1058 N TYR A1607 30.246 -13.099 81.643 1.00 37.11 N ATOM 1059 CA TYR A1607 31.436 -12.539 82.289 1.00 36.54 C ATOM 1060 C TYR A1607 31.552 -12.965 83.746 1.00 42.42 C ATOM 1061 O TYR A1607 32.357 -12.400 84.466 1.00 41.21 O ATOM 1062 CB TYR A1607 31.404 -11.016 82.251 1.00 35.42 C ATOM 1063 CG TYR A1607 31.276 -10.354 80.894 1.00 34.52 C ATOM 1064 CD1 TYR A1607 30.928 -9.015 80.789 1.00 34.03 C ATOM 1065 CD2 TYR A1607 31.579 -11.048 79.716 1.00 35.85 C ATOM 1066 CE1 TYR A1607 30.860 -8.378 79.555 1.00 35.11 C ATOM 1067 CE2 TYR A1607 31.461 -10.431 78.462 1.00 36.83 C ATOM 1068 CZ TYR A1607 31.115 -9.090 78.394 1.00 42.68 C ATOM 1069 OH TYR A1607 30.961 -8.447 77.195 1.00 46.40 O ATOM 1070 HH TYR A1607 30.715 -7.502 77.358 1.00 0.00 H ATOM 1071 H TYR A1607 29.314 -12.679 81.834 1.00 0.00 H ATOM 1072 N ASP A1608 30.739 -13.938 84.186 1.00 41.00 N ATOM 1073 CA ASP A1608 30.666 -14.349 85.585 1.00 41.10 C ATOM 1074 C ASP A1608 32.004 -14.567 86.276 1.00 42.14 C ATOM 1075 O ASP A1608 32.207 -14.007 87.353 1.00 40.67 O ATOM 1076 CB ASP A1608 29.769 -15.584 85.779 1.00 43.26 C ATOM 1077 CG ASP A1608 29.522 -15.895 87.242 1.00 51.42 C ATOM 1078 OD1 ASP A1608 29.182 -14.961 87.999 1.00 52.28 O ATOM 1079 OD2 ASP A1608 29.682 -17.055 87.629 1.00 65.23 O ATOM 1080 H ASP A1608 30.131 -14.423 83.496 1.00 0.00 H ATOM 1081 N GLU A1609 32.894 -15.377 85.693 1.00 38.63 N ATOM 1082 CA GLU A1609 34.190 -15.691 86.319 1.00 40.02 C ATOM 1083 C GLU A1609 35.052 -14.471 86.606 1.00 41.83 C ATOM 1084 O GLU A1609 35.499 -14.297 87.730 1.00 40.81 O ATOM 1085 CB GLU A1609 34.985 -16.677 85.471 1.00 42.05 C ATOM 1086 CG GLU A1609 34.835 -18.068 86.005 1.00 46.82 C ATOM 1087 CD GLU A1609 35.851 -19.058 85.516 1.00 57.58 C ATOM 1088 OE1 GLU A1609 35.415 -20.072 84.927 1.00 55.58 O ATOM 1089 OE2 GLU A1609 37.062 -18.871 85.776 1.00 44.32 O ATOM 1090 H GLU A1609 32.664 -15.798 84.770 1.00 0.00 H ATOM 1091 N HIS A1610 35.273 -13.627 85.586 1.00 36.90 N ATOM 1092 CA HIS A1610 36.080 -12.413 85.705 1.00 36.35 C ATOM 1093 C HIS A1610 35.397 -11.372 86.603 1.00 39.39 C ATOM 1094 O HIS A1610 36.069 -10.756 87.419 1.00 38.57 O ATOM 1095 CB HIS A1610 36.391 -11.830 84.313 1.00 35.98 C ATOM 1096 CG HIS A1610 37.350 -10.680 84.355 1.00 39.24 C ATOM 1097 ND1 HIS A1610 38.546 -10.753 85.078 1.00 40.69 N ATOM 1098 CD2 HIS A1610 37.273 -9.467 83.756 1.00 39.51 C ATOM 1099 CE1 HIS A1610 39.142 -9.590 84.896 1.00 40.01 C ATOM 1100 NE2 HIS A1610 38.419 -8.787 84.110 1.00 40.17 N ATOM 1101 H HIS A1610 34.848 -13.848 84.663 1.00 0.00 H ATOM 1102 N LEU A1611 34.072 -11.203 86.491 1.00 36.86 N ATOM 1103 CA LEU A1611 33.359 -10.230 87.346 1.00 37.08 C ATOM 1104 C LEU A1611 33.386 -10.623 88.817 1.00 43.72 C ATOM 1105 O LEU A1611 33.571 -9.746 89.663 1.00 43.89 O ATOM 1106 CB LEU A1611 31.924 -9.960 86.859 1.00 36.46 C ATOM 1107 CG LEU A1611 31.801 -9.175 85.550 1.00 40.99 C ATOM 1108 CD1 LEU A1611 30.363 -8.945 85.201 1.00 39.97 C ATOM 1109 CD2 LEU A1611 32.539 -7.832 85.603 1.00 43.23 C ATOM 1110 H LEU A1611 33.539 -11.763 85.795 1.00 0.00 H ATOM 1111 N THR A1612 33.288 -11.938 89.118 1.00 42.66 N ATOM 1112 CA THR A1612 33.380 -12.456 90.497 1.00 43.84 C ATOM 1113 C THR A1612 34.748 -12.094 91.099 1.00 47.91 C ATOM 1114 O THR A1612 34.807 -11.580 92.212 1.00 49.47 O ATOM 1115 CB THR A1612 33.100 -13.959 90.525 1.00 50.14 C ATOM 1116 OG1 THR A1612 31.761 -14.171 90.109 1.00 46.30 O ATOM 1117 CG2 THR A1612 33.344 -14.602 91.905 1.00 50.18 C ATOM 1118 HG1 THR A1612 31.562 -15.141 90.121 1.00 0.00 H ATOM 1119 H THR A1612 33.141 -12.615 88.342 1.00 0.00 H ATOM 1120 N GLN A1613 35.819 -12.311 90.340 1.00 44.53 N ATOM 1121 CA GLN A1613 37.184 -11.993 90.758 1.00 44.92 C ATOM 1122 C GLN A1613 37.367 -10.484 90.999 1.00 47.09 C ATOM 1123 O GLN A1613 37.918 -10.104 92.036 1.00 47.37 O ATOM 1124 CB GLN A1613 38.225 -12.557 89.763 1.00 46.13 C ATOM 1125 CG GLN A1613 39.680 -12.506 90.273 1.00 58.79 C ATOM 1126 CD GLN A1613 39.850 -13.089 91.668 1.00 68.31 C ATOM 1127 OE1 GLN A1613 39.527 -14.253 91.937 1.00 60.08 O ATOM 1128 NE2 GLN A1613 40.341 -12.279 92.593 1.00 56.55 N ATOM 1129 HE22 GLN A1613 40.606 -11.305 92.344 1.00 0.00 H ATOM 1130 HE21 GLN A1613 40.462 -12.617 93.569 1.00 0.00 H ATOM 1131 H GLN A1613 35.678 -12.729 89.398 1.00 0.00 H ATOM 1132 N LEU A1614 36.867 -9.640 90.084 1.00 40.91 N ATOM 1133 CA LEU A1614 36.948 -8.182 90.225 1.00 41.26 C ATOM 1134 C LEU A1614 36.182 -7.710 91.466 1.00 45.50 C ATOM 1135 O LEU A1614 36.720 -6.902 92.213 1.00 44.25 O ATOM 1136 CB LEU A1614 36.437 -7.440 88.975 1.00 40.47 C ATOM 1137 CG LEU A1614 37.314 -7.504 87.734 1.00 44.51 C ATOM 1138 CD1 LEU A1614 36.549 -7.013 86.543 1.00 43.80 C ATOM 1139 CD2 LEU A1614 38.614 -6.682 87.906 1.00 44.14 C ATOM 1140 H LEU A1614 36.403 -10.035 89.241 1.00 0.00 H ATOM 1141 N GLU A1615 34.966 -8.257 91.703 1.00 42.66 N ATOM 1142 CA GLU A1615 34.125 -7.953 92.876 1.00 43.22 C ATOM 1143 C GLU A1615 34.846 -8.327 94.198 1.00 48.88 C ATOM 1144 O GLU A1615 34.810 -7.559 95.162 1.00 48.52 O ATOM 1145 CB GLU A1615 32.783 -8.691 92.794 1.00 43.68 C ATOM 1146 CG GLU A1615 31.798 -8.062 91.820 1.00 50.42 C ATOM 1147 CD GLU A1615 30.586 -8.907 91.481 1.00 59.37 C ATOM 1148 OE1 GLU A1615 30.541 -10.096 91.872 1.00 47.96 O ATOM 1149 OE2 GLU A1615 29.678 -8.372 90.807 1.00 55.45 O ATOM 1150 H GLU A1615 34.599 -8.939 91.009 1.00 0.00 H ATOM 1151 N LYS A1616 35.500 -9.496 94.222 1.00 47.23 N ATOM 1152 CA LYS A1616 36.262 -9.973 95.381 1.00 48.03 C ATOM 1153 C LYS A1616 37.451 -9.049 95.642 1.00 52.78 C ATOM 1154 O LYS A1616 37.680 -8.661 96.789 1.00 53.41 O ATOM 1155 CB LYS A1616 36.706 -11.432 95.187 1.00 50.97 C ATOM 1156 CG LYS A1616 35.578 -12.423 95.451 1.00 57.44 C ATOM 1157 CD LYS A1616 36.039 -13.866 95.331 1.00 73.39 C ATOM 1158 CE LYS A1616 34.875 -14.831 95.464 1.00 84.55 C ATOM 1159 NZ LYS A1616 35.246 -16.204 95.025 1.00 94.33 N ATOM 1160 HZ1 LYS A1616 35.540 -16.180 94.028 1.00 0.00 H ATOM 1161 HZ2 LYS A1616 36.031 -16.554 95.611 1.00 0.00 H ATOM 1162 HZ3 LYS A1616 34.425 -16.834 95.131 1.00 0.00 H ATOM 1163 H LYS A1616 35.466 -10.097 93.374 1.00 0.00 H ATOM 1164 N ASP A1617 38.147 -8.631 94.569 1.00 49.67 N ATOM 1165 CA ASP A1617 39.277 -7.703 94.651 1.00 50.98 C ATOM 1166 C ASP A1617 38.853 -6.301 95.102 1.00 56.14 C ATOM 1167 O ASP A1617 39.586 -5.666 95.868 1.00 57.22 O ATOM 1168 CB ASP A1617 40.070 -7.661 93.338 1.00 52.68 C ATOM 1169 CG ASP A1617 40.744 -8.979 92.963 1.00 66.77 C ATOM 1170 OD1 ASP A1617 40.901 -9.842 93.849 1.00 67.36 O ATOM 1171 OD2 ASP A1617 41.107 -9.145 91.780 1.00 77.05 O ATOM 1172 H ASP A1617 37.868 -8.986 93.632 1.00 0.00 H ATOM 1173 N ILE A1618 37.667 -5.831 94.663 1.00 50.60 N ATOM 1174 CA ILE A1618 37.150 -4.516 95.057 1.00 50.08 C ATOM 1175 C ILE A1618 36.873 -4.526 96.562 1.00 56.29 C ATOM 1176 O ILE A1618 37.263 -3.584 97.259 1.00 57.51 O ATOM 1177 CB ILE A1618 35.911 -4.077 94.193 1.00 51.04 C ATOM 1178 CG1 ILE A1618 36.326 -3.776 92.730 1.00 49.92 C ATOM 1179 CG2 ILE A1618 35.193 -2.849 94.798 1.00 49.96 C ATOM 1180 CD1 ILE A1618 35.154 -3.904 91.685 1.00 47.49 C ATOM 1181 H ILE A1618 37.099 -6.422 94.023 1.00 0.00 H ATOM 1182 N CYS A1619 36.244 -5.614 97.043 1.00 54.10 N ATOM 1183 CA CYS A1619 35.882 -5.877 98.432 1.00 56.60 C ATOM 1184 C CYS A1619 37.128 -5.986 99.319 1.00 59.68 C ATOM 1185 O CYS A1619 37.151 -5.390 100.391 1.00 59.29 O ATOM 1186 CB CYS A1619 35.008 -7.127 98.532 1.00 58.74 C ATOM 1187 SG CYS A1619 34.599 -7.623 100.231 1.00 64.51 S ATOM 1188 H CYS A1619 35.988 -6.346 96.350 1.00 0.00 H ATOM 1189 N THR A1620 38.164 -6.727 98.854 1.00 55.07 N ATOM 1190 CA THR A1620 39.441 -6.892 99.547 1.00 54.18 C ATOM 1191 C THR A1620 40.134 -5.526 99.693 1.00 57.22 C ATOM 1192 O THR A1620 40.548 -5.186 100.809 1.00 56.72 O ATOM 1193 CB THR A1620 40.292 -7.963 98.831 1.00 59.24 C ATOM 1194 OG1 THR A1620 39.594 -9.206 98.902 1.00 60.01 O ATOM 1195 CG2 THR A1620 41.690 -8.131 99.437 1.00 56.69 C ATOM 1196 HG1 THR A1620 38.714 -9.115 98.457 1.00 0.00 H ATOM 1197 H THR A1620 38.042 -7.211 97.942 1.00 0.00 H ATOM 1198 N ALA A1621 40.208 -4.728 98.584 1.00 52.79 N ATOM 1199 CA ALA A1621 40.827 -3.397 98.601 1.00 53.67 C ATOM 1200 C ALA A1621 40.101 -2.438 99.547 1.00 58.18 C ATOM 1201 O ALA A1621 40.765 -1.670 100.239 1.00 58.23 O ATOM 1202 CB ALA A1621 40.895 -2.808 97.202 1.00 54.00 C ATOM 1203 H ALA A1621 39.808 -5.080 97.690 1.00 0.00 H ATOM 1204 N LYS A1622 38.751 -2.518 99.594 1.00 55.09 N ATOM 1205 CA LYS A1622 37.895 -1.710 100.466 1.00 55.64 C ATOM 1206 C LYS A1622 38.167 -2.039 101.953 1.00 60.43 C ATOM 1207 O LYS A1622 38.460 -1.129 102.740 1.00 59.51 O ATOM 1208 CB LYS A1622 36.413 -1.953 100.133 1.00 57.17 C ATOM 1209 CG LYS A1622 35.548 -0.709 100.206 1.00 77.01 C ATOM 1210 CD LYS A1622 34.205 -0.962 99.501 1.00 93.00 C ATOM 1211 CE LYS A1622 33.299 0.248 99.448 1.00108.37 C ATOM 1212 NZ LYS A1622 33.714 1.221 98.401 1.00117.89 N ATOM 1213 HZ1 LYS A1622 34.680 1.551 98.599 1.00 0.00 H ATOM 1214 HZ2 LYS A1622 33.688 0.758 97.470 1.00 0.00 H ATOM 1215 HZ3 LYS A1622 33.062 2.032 98.405 1.00 0.00 H ATOM 1216 H LYS A1622 38.287 -3.204 98.965 1.00 0.00 H ATOM 1217 N GLU A1623 38.053 -3.342 102.324 1.00 57.45 N ATOM 1218 CA GLU A1623 38.266 -3.854 103.680 1.00 57.75 C ATOM 1219 C GLU A1623 39.655 -3.493 104.226 1.00 60.77 C ATOM 1220 O GLU A1623 39.749 -3.081 105.383 1.00 61.06 O ATOM 1221 CB GLU A1623 38.039 -5.368 103.740 1.00 59.19 C ATOM 1222 CG GLU A1623 36.579 -5.773 103.597 1.00 74.68 C ATOM 1223 CD GLU A1623 36.274 -7.263 103.619 1.00104.96 C ATOM 1224 OE1 GLU A1623 37.191 -8.076 103.357 1.00103.88 O ATOM 1225 OE2 GLU A1623 35.102 -7.615 103.889 1.00102.21 O ATOM 1226 H GLU A1623 37.794 -4.029 101.587 1.00 0.00 H ATOM 1227 N ALA A1624 40.713 -3.623 103.390 1.00 56.22 N ATOM 1228 CA ALA A1624 42.104 -3.304 103.744 1.00 57.05 C ATOM 1229 C ALA A1624 42.302 -1.806 103.989 1.00 62.22 C ATOM 1230 O ALA A1624 43.053 -1.432 104.891 1.00 61.83 O ATOM 1231 CB ALA A1624 43.057 -3.782 102.660 1.00 57.54 C ATOM 1232 H ALA A1624 40.528 -3.974 102.429 1.00 0.00 H ATOM 1233 N ALA A1625 41.626 -0.957 103.188 1.00 58.92 N ATOM 1234 CA ALA A1625 41.705 0.500 103.304 1.00 59.23 C ATOM 1235 C ALA A1625 41.038 0.969 104.613 1.00 64.32 C ATOM 1236 O ALA A1625 41.565 1.851 105.289 1.00 64.57 O ATOM 1237 CB ALA A1625 41.045 1.151 102.099 1.00 59.39 C ATOM 1238 H ALA A1625 41.016 -1.359 102.448 1.00 0.00 H ATOM 1239 N LEU A1626 39.904 0.348 104.969 1.00 60.11 N ATOM 1240 CA LEU A1626 39.139 0.623 106.179 1.00 61.20 C ATOM 1241 C LEU A1626 39.906 0.190 107.447 1.00 64.39 C ATOM 1242 O LEU A1626 39.889 0.919 108.441 1.00 63.87 O ATOM 1243 CB LEU A1626 37.759 -0.063 106.075 1.00 61.29 C ATOM 1244 CG LEU A1626 36.829 -0.115 107.302 1.00 67.52 C ATOM 1245 CD1 LEU A1626 36.548 1.291 107.884 1.00 68.31 C ATOM 1246 CD2 LEU A1626 35.512 -0.811 106.934 1.00 69.51 C ATOM 1247 H LEU A1626 39.541 -0.389 104.331 1.00 0.00 H ATOM 1248 N GLU A1627 40.578 -0.971 107.409 1.00 60.33 N ATOM 1249 CA GLU A1627 41.368 -1.468 108.540 1.00 61.26 C ATOM 1250 C GLU A1627 42.539 -0.496 108.813 1.00 63.23 C ATOM 1251 O GLU A1627 42.757 -0.088 109.959 1.00 62.09 O ATOM 1252 CB GLU A1627 41.873 -2.897 108.277 1.00 62.85 C ATOM 1253 CG GLU A1627 42.163 -3.652 109.568 1.00 78.15 C ATOM 1254 CD GLU A1627 43.266 -4.692 109.513 1.00104.64 C ATOM 1255 OE1 GLU A1627 44.130 -4.676 110.420 1.00105.27 O ATOM 1256 OE2 GLU A1627 43.268 -5.525 108.576 1.00 98.52 O ATOM 1257 H GLU A1627 40.537 -1.542 106.541 1.00 0.00 H ATOM 1258 N GLU A1628 43.216 -0.071 107.732 1.00 58.78 N ATOM 1259 CA GLU A1628 44.312 0.889 107.753 1.00 59.14 C ATOM 1260 C GLU A1628 43.812 2.255 108.276 1.00 61.21 C ATOM 1261 O GLU A1628 44.491 2.853 109.115 1.00 60.45 O ATOM 1262 CB GLU A1628 44.937 1.014 106.348 1.00 60.41 C ATOM 1263 CG GLU A1628 46.292 1.710 106.331 1.00 75.62 C ATOM 1264 CD GLU A1628 46.298 3.173 105.922 1.00109.58 C ATOM 1265 OE1 GLU A1628 45.281 3.654 105.371 1.00115.22 O ATOM 1266 OE2 GLU A1628 47.337 3.837 106.144 1.00109.71 O ATOM 1267 H GLU A1628 42.935 -0.458 106.808 1.00 0.00 H ATOM 1268 N ALA A1629 42.616 2.715 107.817 1.00 57.16 N ATOM 1269 CA ALA A1629 42.005 3.987 108.250 1.00 58.01 C ATOM 1270 C ALA A1629 41.721 4.006 109.765 1.00 62.94 C ATOM 1271 O ALA A1629 41.998 5.015 110.435 1.00 61.36 O ATOM 1272 CB ALA A1629 40.732 4.262 107.471 1.00 57.98 C ATOM 1273 H ALA A1629 42.103 2.137 107.121 1.00 0.00 H ATOM 1274 N GLU A1630 41.204 2.871 110.297 1.00 60.92 N ATOM 1275 CA GLU A1630 40.913 2.671 111.722 1.00 61.94 C ATOM 1276 C GLU A1630 42.204 2.688 112.564 1.00 66.13 C ATOM 1277 O GLU A1630 42.242 3.346 113.607 1.00 66.48 O ATOM 1278 CB GLU A1630 40.158 1.352 111.946 1.00 63.01 C ATOM 1279 CG GLU A1630 38.696 1.381 111.525 1.00 78.73 C ATOM 1280 CD GLU A1630 37.898 0.132 111.860 1.00110.86 C ATOM 1281 OE1 GLU A1630 38.068 -0.411 112.977 1.00106.46 O ATOM 1282 OE2 GLU A1630 37.085 -0.293 111.007 1.00111.24 O ATOM 1283 H GLU A1630 40.999 2.085 109.648 1.00 0.00 H ATOM 1284 N LEU A1631 43.256 1.978 112.106 1.00 61.72 N ATOM 1285 CA LEU A1631 44.546 1.893 112.809 1.00 61.85 C ATOM 1286 C LEU A1631 45.298 3.221 112.860 1.00 63.85 C ATOM 1287 O LEU A1631 45.989 3.491 113.836 1.00 64.53 O ATOM 1288 CB LEU A1631 45.457 0.820 112.180 1.00 61.98 C ATOM 1289 CG LEU A1631 45.154 -0.633 112.534 1.00 66.86 C ATOM 1290 CD1 LEU A1631 45.805 -1.579 111.546 1.00 66.46 C ATOM 1291 CD2 LEU A1631 45.594 -0.968 113.965 1.00 69.93 C ATOM 1292 H LEU A1631 43.150 1.463 111.208 1.00 0.00 H ATOM 1293 N GLU A1632 45.163 4.039 111.811 1.00 58.24 N ATOM 1294 CA GLU A1632 45.858 5.319 111.685 1.00 57.99 C ATOM 1295 C GLU A1632 45.061 6.530 112.181 1.00 59.24 C ATOM 1296 O GLU A1632 45.600 7.645 112.199 1.00 59.79 O ATOM 1297 CB GLU A1632 46.312 5.516 110.221 1.00 59.20 C ATOM 1298 CG GLU A1632 47.477 4.618 109.811 1.00 67.02 C ATOM 1299 CD GLU A1632 48.742 4.766 110.641 1.00 88.07 C ATOM 1300 OE1 GLU A1632 49.187 5.917 110.868 1.00 88.53 O ATOM 1301 OE2 GLU A1632 49.284 3.723 111.074 1.00 72.78 O ATOM 1302 H GLU A1632 44.527 3.748 111.041 1.00 0.00 H ATOM 1303 N SER A1633 43.809 6.307 112.615 1.00 54.38 N ATOM 1304 CA SER A1633 42.889 7.340 113.101 1.00 53.64 C ATOM 1305 C SER A1633 43.382 8.125 114.322 1.00 57.45 C ATOM 1306 O SER A1633 42.946 9.260 114.523 1.00 57.26 O ATOM 1307 CB SER A1633 41.515 6.742 113.371 1.00 55.49 C ATOM 1308 OG SER A1633 40.590 7.228 112.418 1.00 62.77 O ATOM 1309 HG SER A1633 40.888 6.971 111.510 1.00 0.00 H ATOM 1310 H SER A1633 43.466 5.325 112.605 1.00 0.00 H ATOM 1311 N LEU A1634 44.300 7.542 115.114 1.00 53.98 N ATOM 1312 CA LEU A1634 44.863 8.181 116.320 1.00 54.26 C ATOM 1313 C LEU A1634 46.172 8.966 116.064 1.00 57.58 C ATOM 1314 O LEU A1634 46.677 9.608 116.986 1.00 56.45 O ATOM 1315 CB LEU A1634 45.082 7.132 117.447 1.00 54.51 C ATOM 1316 CG LEU A1634 43.891 6.763 118.342 1.00 58.80 C ATOM 1317 CD1 LEU A1634 42.748 6.198 117.548 1.00 58.12 C ATOM 1318 CD2 LEU A1634 44.320 5.775 119.430 1.00 59.34 C ATOM 1319 H LEU A1634 44.631 6.589 114.863 1.00 0.00 H ATOM 1320 N ASP A1635 46.706 8.950 114.821 1.00 55.00 N ATOM 1321 CA ASP A1635 47.960 9.664 114.500 1.00 60.54 C ATOM 1322 C ASP A1635 47.881 11.176 114.787 1.00 82.72 C ATOM 1323 O ASP A1635 47.111 11.872 114.133 1.00 59.93 O ATOM 1324 CB ASP A1635 48.402 9.394 113.045 1.00 61.38 C ATOM 1325 CG ASP A1635 49.822 9.851 112.695 1.00 66.74 C ATOM 1326 OD1 ASP A1635 50.323 9.458 111.621 1.00 69.31 O ATOM 1327 OD2 ASP A1635 50.431 10.598 113.500 1.00 64.75 O ATOM 1328 H ASP A1635 46.220 8.420 114.070 1.00 0.00 H TER 1329 ASP A1635 HETATM 1330 O HOH 1 12.959 3.835 84.290 1.00 39.90 O HETATM 1331 O HOH 2 21.916 -6.060 72.219 1.00 47.69 O HETATM 1332 O HOH 3 5.635 5.417 71.302 1.00 43.01 O HETATM 1333 O HOH 4 32.598 -6.108 95.300 1.00 54.13 O HETATM 1334 O HOH 5 11.442 2.563 82.361 1.00 33.45 O HETATM 1335 O HOH 6 30.694 -16.603 90.332 1.00 69.47 O HETATM 1336 O HOH 7 30.114 5.620 81.916 1.00 51.24 O HETATM 1337 O HOH 8 1.097 -1.957 85.798 1.00 63.62 O HETATM 1338 O HOH 9 15.807 8.890 84.698 1.00 42.51 O HETATM 1339 O HOH 10 16.088 14.140 78.751 1.00 55.22 O HETATM 1340 O HOH 11 9.021 -3.769 71.530 1.00 56.83 O HETATM 1341 O HOH 12 51.883 3.302 111.604 1.00 45.60 O HETATM 1342 O HOH 13 46.836 5.701 115.114 1.00 49.15 O HETATM 1343 O HOH 14 24.910 12.656 82.183 1.00 74.62 O HETATM 1344 O HOH 15 -3.356 11.865 82.527 1.00 85.47 O HETATM 1345 O HOH 16 12.692 -4.142 71.245 1.00 56.05 O HETATM 1346 O HOH 17 27.889 -10.813 92.607 1.00 60.50 O HETATM 1347 O HOH 18 30.932 -11.810 93.946 1.00 64.97 O HETATM 1348 O HOH 19 37.095 -15.478 91.918 1.00 67.60 O HETATM 1349 O HOH 20 36.289 -16.312 89.384 1.00 43.98 O HETATM 1350 O HOH 21 31.433 1.839 76.088 1.00 47.07 O HETATM 1351 O HOH 22 10.375 0.676 72.486 1.00 55.44 O HETATM 1352 O HOH 23 34.327 0.419 78.398 1.00 49.16 O HETATM 1353 O HOH 24 10.184 11.142 93.399 1.00 69.84 O HETATM 1354 O HOH 25 10.569 -8.699 75.186 1.00 51.64 O HETATM 1355 O HOH 26 27.802 -14.869 90.360 1.00 59.32 O HETATM 1356 O HOH 27 42.213 -0.504 85.726 1.00 54.96 O HETATM 1357 O HOH 28 13.218 9.136 77.994 1.00 40.49 O HETATM 1358 O HOH 29 12.709 2.797 67.143 1.00 92.43 O HETATM 1359 O HOH 30 17.297 -6.506 91.486 1.00 69.01 O HETATM 1360 O HOH 31 12.123 -5.258 87.568 1.00 52.06 O HETATM 1361 O HOH 32 27.859 -1.299 94.997 1.00 59.01 O HETATM 1362 O HOH 33 12.615 6.913 84.000 1.00 41.98 O HETATM 1363 O HOH 34 30.810 1.340 88.902 1.00 45.56 O HETATM 1364 O HOH 35 4.997 -7.751 77.603 1.00 60.89 O HETATM 1365 O HOH 36 6.347 -2.312 88.583 1.00 44.34 O HETATM 1366 O HOH 37 8.265 -8.423 81.142 1.00 55.62 O HETATM 1367 O HOH 38 15.939 0.664 66.856 1.00 63.84 O HETATM 1368 O HOH 39 9.600 4.302 90.569 1.00 47.89 O HETATM 1369 O HOH 40 33.610 0.286 75.762 1.00 61.77 O HETATM 1370 O HOH 41 9.001 11.548 90.756 1.00 66.82 O HETATM 1371 O HOH 42 43.957 1.440 95.517 1.00 80.19 O HETATM 1372 O HOH 43 19.253 1.215 69.474 1.00 59.27 O HETATM 1373 O HOH 44 29.397 7.961 74.821 1.00 74.34 O HETATM 1374 O HOH 45 21.331 8.096 72.841 1.00 75.62 O HETATM 1375 O HOH 46 16.985 8.464 72.750 1.00 52.32 O HETATM 1376 O HOH 47 9.115 3.810 82.011 1.00 37.39 O HETATM 1377 O HOH 48 14.769 16.123 76.551 1.00 57.79 O HETATM 1378 O HOH 49 22.515 7.073 93.007 1.00 62.87 O HETATM 1379 O HOH 50 29.466 -6.025 76.362 1.00 41.28 O HETATM 1380 O HOH 51 13.452 9.452 83.421 1.00 45.62 O HETATM 1381 O HOH 52 9.419 0.967 90.088 1.00 60.52 O HETATM 1382 O HOH 53 11.576 16.889 82.307 1.00 64.63 O HETATM 1383 O HOH 54 21.801 0.703 93.087 1.00 71.85 O HETATM 1384 O HOH 55 2.033 4.269 77.619 1.00 60.76 O HETATM 1385 O HOH 56 29.097 2.708 70.893 1.00 74.66 O HETATM 1386 O HOH 57 19.321 4.800 92.033 1.00 69.23 O HETATM 1387 O HOH 58 30.435 -17.809 82.450 1.00 58.22 O HETATM 1388 O HOH 59 39.811 -12.895 86.652 1.00 46.89 O HETATM 1389 O HOH 60 24.940 -7.674 70.136 1.00 86.40 O HETATM 1390 O HOH 61 25.320 -11.288 75.440 1.00 57.21 O HETATM 1391 O HOH 62 43.963 -7.111 92.546 1.00 70.12 O HETATM 1392 O HOH 63 18.642 -7.547 71.511 1.00 73.67 O HETATM 1393 O HOH 64 36.175 3.195 84.577 1.00 54.76 O HETATM 1394 O HOH 65 42.521 -6.478 95.817 1.00 73.11 O HETATM 1395 O HOH 66 20.989 6.673 90.582 1.00 64.50 O HETATM 1396 O HOH 67 9.178 -1.872 69.611 1.00 59.13 O HETATM 1397 O HOH 68 21.842 -5.382 95.958 1.00 73.71 O HETATM 1398 O HOH 69 44.577 -5.162 90.719 1.00 67.40 O HETATM 1399 O HOH 70 25.048 8.079 77.304 1.00 54.14 O HETATM 1400 O HOH 71 16.874 2.563 69.365 1.00 45.95 O HETATM 1401 O HOH 72 -2.144 -4.055 82.895 1.00 69.35 O HETATM 1402 O HOH 73 6.982 4.504 91.135 1.00 62.93 O HETATM 1403 O HOH 74 32.902 -16.654 82.699 1.00 48.72 O HETATM 1404 O HOH 75 37.941 -0.683 95.904 1.00 59.22 O HETATM 1405 O HOH 76 19.472 14.089 77.905 1.00 65.04 O HETATM 1406 O HOH 77 49.395 14.151 114.753 1.00 65.34 O HETATM 1407 O HOH 78 10.515 -6.052 71.700 1.00 78.62 O HETATM 1408 O HOH 79 19.436 -6.672 95.848 1.00 82.38 O HETATM 1409 O HOH 80 44.513 -1.232 95.060 1.00 73.60 O HETATM 1410 O HOH 81 33.604 4.647 94.781 1.00 81.53 O HETATM 1411 O HOH 82 1.112 6.292 92.129 1.00 77.32 O HETATM 1412 O HOH 83 15.117 -10.651 87.251 1.00 74.78 O HETATM 1413 O HOH 84 49.232 6.724 115.557 1.00 48.82 O HETATM 1414 O HOH 85 26.227 9.424 80.200 1.00 84.09 O HETATM 1415 O HOH 86 29.000 9.322 81.010 1.00 67.65 O HETATM 1416 O HOH 87 1.768 -9.011 77.299 1.00 63.79 O HETATM 1417 O HOH 88 17.680 9.643 88.242 1.00 80.07 O HETATM 1418 O HOH 89 51.026 14.275 112.464 1.00 65.44 O HETATM 1419 O HOH 90 7.777 -8.305 78.498 1.00 45.42 O HETATM 1420 O HOH 91 9.551 -6.026 86.772 1.00 54.87 O HETATM 1421 O HOH 92 24.338 -12.337 87.276 1.00 67.05 O HETATM 1422 O HOH 93 -0.181 5.189 78.944 1.00 66.88 O HETATM 1423 O HOH 94 43.870 4.284 95.023 1.00 76.99 O HETATM 1424 O HOH 95 8.722 19.036 90.946 1.00 87.68 O HETATM 1425 O HOH 96 29.549 14.349 92.613 1.00 77.08 O HETATM 1426 O HOH 97 45.599 9.460 89.839 1.00 80.35 O HETATM 1427 O HOH 98 41.836 -16.014 99.839 1.00 95.48 O HETATM 1428 O HOH 99 16.712 26.253 74.833 1.00 82.13 O HETATM 1429 O HOH 100 0.097 12.107 100.061 1.00 67.09 O HETATM 1430 C7 G A 9 9.815 10.895 74.272 1.00 -0.03 C HETATM 1431 C6 G A 9 8.925 9.939 73.788 1.00 0.08 C HETATM 1432 N2 G A 9 8.195 9.825 72.617 1.00 -0.24 N HETATM 1433 C1 G A 9 8.191 10.776 71.509 1.00 0.05 C HETATM 1434 H7 G A 9 7.515 10.416 70.719 1.00 0.06 H HETATM 1435 H8 G A 9 9.209 10.872 71.104 1.00 0.06 H HETATM 1436 H9 G A 9 7.845 11.757 71.868 1.00 0.06 H HETATM 1437 C3 G A 9 7.484 8.663 72.696 1.00 0.10 C HETATM 1438 N4 G A 9 7.736 8.068 73.833 1.00 -0.31 N HETATM 1439 C5 G A 9 8.613 8.790 74.563 1.00 0.03 C HETATM 1440 C10 G A 9 9.194 8.615 75.847 1.00 -0.04 C HETATM 1441 C9 G A 9 10.088 9.584 76.307 1.00 -0.06 C HETATM 1442 C8 G A 9 10.407 10.720 75.530 1.00 0.03 C HETATM 1443 C26 G A 9 11.390 11.725 76.014 1.00 0.20 C HETATM 1444 N28 G A 9 12.616 11.860 75.430 1.00 -0.27 N HETATM 1445 C29 G A 9 13.058 10.995 74.300 1.00 0.06 C HETATM 1446 C30 G A 9 14.336 10.276 74.745 1.00 0.07 C HETATM 1447 O31 G A 9 15.297 11.280 75.092 1.00 -0.38 O HETATM 1448 C32 G A 9 14.950 12.191 76.162 1.00 0.07 C HETATM 1449 C33 G A 9 13.591 12.874 75.902 1.00 0.06 C HETATM 1450 H19 G A 9 13.712 13.653 75.135 1.00 0.05 H HETATM 1451 H20 G A 9 13.225 13.331 76.833 1.00 0.05 H HETATM 1452 H13 G A 9 15.729 12.963 76.241 1.00 0.06 H HETATM 1453 H14 G A 9 14.893 11.629 77.106 1.00 0.06 H HETATM 1454 H24 G A 9 14.722 9.654 73.924 1.00 0.06 H HETATM 1455 H25 G A 9 14.125 9.641 75.618 1.00 0.06 H HETATM 1456 H3 G A 9 13.263 11.612 73.413 1.00 0.05 H HETATM 1457 H4 G A 9 12.276 10.259 74.062 1.00 0.05 H HETATM 1458 O27 G A 9 11.076 12.431 76.955 1.00 -0.39 O HETATM 1459 H2 G A 9 10.547 9.462 77.281 1.00 0.05 H HETATM 1460 C11 G A 9 8.849 7.451 76.726 1.00 -0.02 C HETATM 1461 C17 G A 9 7.450 7.036 76.997 1.00 -0.04 C HETATM 1462 C18 G A 9 6.171 7.459 76.550 1.00 -0.07 C HETATM 1463 C19 G A 9 5.221 6.700 77.151 1.00 0.02 C HETATM 1464 N20 G A 9 5.845 5.824 78.003 1.00 -0.28 N HETATM 1465 C16 G A 9 7.218 5.997 77.923 1.00 0.13 C HETATM 1466 C14 G A 9 8.324 5.347 78.547 1.00 0.24 C HETATM 1467 O15 G A 9 8.103 4.436 79.359 1.00 -0.41 O HETATM 1468 N13 G A 9 9.590 5.723 78.241 1.00 -0.21 N HETATM 1469 C22 G A 9 10.763 5.095 78.908 1.00 0.08 C HETATM 1470 C23 G A 9 11.280 6.007 80.040 1.00 0.00 C HETATM 1471 C24 G A 9 12.512 5.440 80.703 1.00 -0.09 C HETATM 1472 C25 G A 9 13.691 5.998 80.557 1.00 -0.12 C HETATM 1473 H11 G A 9 14.562 5.566 81.048 1.00 0.03 H HETATM 1474 H12 G A 9 13.798 6.893 79.945 1.00 0.03 H HETATM 1475 H10 G A 9 12.420 4.546 81.318 1.00 0.07 H HETATM 1476 H22 G A 9 11.525 6.993 79.618 1.00 0.05 H HETATM 1477 H23 G A 9 10.489 6.118 80.796 1.00 0.05 H HETATM 1478 H15 G A 9 11.563 4.943 78.169 1.00 0.07 H HETATM 1479 H16 G A 9 10.465 4.124 79.331 1.00 0.07 H HETATM 1480 C12 G A 9 9.846 6.758 77.365 1.00 0.06 C HETATM 1481 H17 G A 9 10.881 7.036 77.173 1.00 0.11 H HETATM 1482 H5 G A 9 5.367 5.142 78.609 1.00 0.23 H HETATM 1483 H18 G A 9 4.147 6.773 76.986 1.00 0.09 H HETATM 1484 H6 G A 9 5.983 8.263 75.840 1.00 0.03 H HETATM 1485 H21 G A 9 6.809 8.288 71.928 1.00 0.13 H HETATM 1486 H1 G A 9 10.049 11.771 73.678 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1430 1431 1442 1486 CONECT 1431 1430 1432 1439 CONECT 1432 1431 1433 1437 CONECT 1433 1432 1434 1435 1436 CONECT 1434 1433 CONECT 1435 1433 CONECT 1436 1433 CONECT 1437 1432 1438 1485 CONECT 1438 1437 1439 CONECT 1439 1431 1438 1440 CONECT 1440 1439 1441 1460 CONECT 1441 1440 1442 1459 CONECT 1442 1430 1441 1443 CONECT 1443 1442 1444 1458 CONECT 1444 1443 1445 1449 CONECT 1445 1444 1446 1456 1457 CONECT 1446 1445 1447 1454 1455 CONECT 1447 1446 1448 CONECT 1448 1447 1449 1452 1453 CONECT 1449 1444 1448 1450 1451 CONECT 1450 1449 CONECT 1451 1449 CONECT 1452 1448 CONECT 1453 1448 CONECT 1454 1446 CONECT 1455 1446 CONECT 1456 1445 CONECT 1457 1445 CONECT 1458 1443 CONECT 1459 1441 CONECT 1460 1440 1461 1480 CONECT 1461 1460 1462 1465 CONECT 1462 1461 1463 1484 CONECT 1463 1462 1464 1483 CONECT 1464 1463 1465 1482 CONECT 1465 1461 1464 1466 CONECT 1466 1465 1467 1468 CONECT 1467 1466 CONECT 1468 1466 1469 1480 CONECT 1469 1468 1470 1478 1479 CONECT 1470 1469 1471 1476 1477 CONECT 1471 1470 1472 1475 CONECT 1472 1471 1473 1474 CONECT 1473 1472 CONECT 1474 1472 CONECT 1475 1471 CONECT 1476 1470 CONECT 1477 1470 CONECT 1478 1469 CONECT 1479 1469 CONECT 1480 1460 1468 1481 CONECT 1481 1480 CONECT 1482 1464 CONECT 1483 1463 CONECT 1484 1462 CONECT 1485 1437 CONECT 1486 1430 MASTER 0 0 0 0 0 0 0 0 1485 1 61 11 END
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Structure:
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Related entries of code: 6df7
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5i1q
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... *
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
6df7
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Transcription initiation factor TFIID subunit
Ligand Name
G9V
EC.Number
E.C.-.-.-.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
IC50=0.010uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J. Med. Chem. Vol. 61: pp. 9301-9315
Ligand Properties
Formula
C
2
4
H
2
5
N
5
O
3
Molecular Weight
431.487
Exact Mass
431.196
No. of atoms
57
No. of bonds
61
Polar Surface Area
85.15
LOGP Value
1.52 (
Computed with XLOGP3
)
2.87 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
Canonical SMILES
C=CCCn1cc(c2cc(cc3c2ncn3C)C(=O)N2CCOCC2)c2c(c1=O)[nH]cc2
InChI String
InChI=1S/C24H25N5O3/c1-3-4-7-29-14-19(17-5-6-25-22(17)24(29)31)18-12-16(13-20-21(18)26-15-27(20)2)23(30)28-8-10-32-11-9-28/h3,5-6,12-15,25H,1,4,7-11H2,2H3
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):
U3KMH2
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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