Browse entries in the PDBbind-CN Database
HEADER 4X34_COMPLEX COMPND 4X34_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 120 ASN SER PHE VAL GLY LEU ARG VAL VAL ALA LYS TRP SER SEQRES 2 A 120 SER ASN GLY TYR PHE TYR SER GLY LYS ILE THR ARG ASP SEQRES 3 A 120 VAL GLY ALA GLY LYS TYR LYS LEU LEU PHE ASP ASP GLY SEQRES 4 A 120 TYR GLU CYS ASP VAL LEU GLY LYS ASP ILE LEU LEU CYS SEQRES 5 A 120 ASP PRO ILE PRO LEU ASP THR GLU VAL THR ALA LEU SER SEQRES 6 A 120 GLU ASP GLU TYR PHE SER ALA GLY VAL VAL LYS GLY HIS SEQRES 7 A 120 ARG LYS GLU SER GLY GLU LEU TYR TYR SER ILE GLU LYS SEQRES 8 A 120 GLU GLY GLN ARG LYS TRP TYR LYS ARG MET ALA VAL ILE SEQRES 9 A 120 LEU SER LEU GLU GLN GLY ASN ARG LEU ARG GLU GLN TYR SEQRES 10 A 120 GLY LEU GLY HET THR A 288 201 ATOM 1 N ASN A1484 32.485 5.151 14.713 1.00 43.87 N ATOM 2 CA ASN A1484 33.130 4.575 15.888 1.00 35.85 C ATOM 3 C ASN A1484 32.137 3.840 16.807 1.00 33.91 C ATOM 4 O ASN A1484 31.666 2.746 16.461 1.00 34.40 O ATOM 5 CB ASN A1484 33.959 5.627 16.647 1.00 33.56 C ATOM 6 CG ASN A1484 33.203 6.922 16.892 1.00 46.41 C ATOM 7 OD1 ASN A1484 32.958 7.302 18.046 1.00 48.62 O ATOM 8 ND2 ASN A1484 32.845 7.620 15.814 1.00 45.11 N ATOM 9 HD22 ASN A1484 33.072 7.262 14.864 1.00 0.00 H ATOM 10 HD21 ASN A1484 32.339 8.522 15.923 1.00 0.00 H ATOM 11 HN3 ASN A1484 31.763 5.835 15.016 1.00 0.00 H ATOM 12 HN2 ASN A1484 32.036 4.394 14.159 1.00 0.00 H ATOM 13 HN1 ASN A1484 33.198 5.633 14.129 1.00 0.00 H ATOM 14 N SER A1485 31.803 4.431 17.954 1.00 24.87 N ATOM 15 CA SER A1485 30.857 3.787 18.876 1.00 16.49 C ATOM 16 C SER A1485 29.416 4.119 18.524 1.00 19.51 C ATOM 17 O SER A1485 29.115 5.227 18.081 1.00 19.90 O ATOM 18 CB SER A1485 31.108 4.235 20.313 1.00 18.88 C ATOM 19 OG SER A1485 30.123 3.726 21.191 1.00 17.38 O ATOM 20 HG SER A1485 30.137 2.737 21.163 1.00 0.00 H ATOM 21 H SER A1485 32.215 5.354 18.198 1.00 0.00 H ATOM 22 N PHE A1486 28.530 3.162 18.759 1.00 16.86 N ATOM 23 CA PHE A1486 27.090 3.395 18.610 1.00 13.40 C ATOM 24 C PHE A1486 26.490 4.132 19.801 1.00 17.18 C ATOM 25 O PHE A1486 25.366 4.639 19.723 1.00 17.07 O ATOM 26 CB PHE A1486 26.369 2.058 18.468 1.00 16.58 C ATOM 27 CG PHE A1486 26.697 1.333 17.210 1.00 18.68 C ATOM 28 CD1 PHE A1486 26.977 2.032 16.049 1.00 23.19 C ATOM 29 CD2 PHE A1486 26.730 -0.050 17.184 1.00 26.68 C ATOM 30 CE1 PHE A1486 27.286 1.364 14.881 1.00 23.01 C ATOM 31 CE2 PHE A1486 27.030 -0.726 16.015 1.00 27.11 C ATOM 32 CZ PHE A1486 27.306 -0.018 14.866 1.00 23.68 C ATOM 33 H PHE A1486 28.864 2.223 19.056 1.00 0.00 H ATOM 34 N VAL A1487 27.209 4.173 20.921 1.00 14.93 N ATOM 35 CA VAL A1487 26.632 4.755 22.132 1.00 15.55 C ATOM 36 C VAL A1487 26.476 6.256 21.945 1.00 17.36 C ATOM 37 O VAL A1487 27.429 6.936 21.575 1.00 16.67 O ATOM 38 CB VAL A1487 27.467 4.430 23.391 1.00 16.76 C ATOM 39 CG1 VAL A1487 26.830 5.053 24.615 1.00 20.29 C ATOM 40 CG2 VAL A1487 27.564 2.915 23.584 1.00 18.72 C ATOM 41 H VAL A1487 28.177 3.793 20.934 1.00 0.00 H ATOM 42 N GLY A1488 25.261 6.765 22.148 1.00 14.00 N ATOM 43 CA GLY A1488 24.987 8.175 21.932 1.00 15.66 C ATOM 44 C GLY A1488 24.354 8.516 20.591 1.00 15.13 C ATOM 45 O GLY A1488 23.923 9.656 20.371 1.00 16.89 O ATOM 46 H GLY A1488 24.494 6.140 22.468 1.00 0.00 H ATOM 47 N LEU A1489 24.311 7.549 19.680 1.00 12.98 N ATOM 48 CA LEU A1489 23.774 7.813 18.351 1.00 14.13 C ATOM 49 C LEU A1489 22.251 7.738 18.326 1.00 14.77 C ATOM 50 O LEU A1489 21.648 6.909 19.016 1.00 14.38 O ATOM 51 CB LEU A1489 24.321 6.828 17.327 1.00 15.84 C ATOM 52 CG LEU A1489 25.802 6.920 16.969 1.00 17.25 C ATOM 53 CD1 LEU A1489 26.123 5.916 15.880 1.00 19.90 C ATOM 54 CD2 LEU A1489 26.148 8.309 16.529 1.00 24.10 C ATOM 55 H LEU A1489 24.662 6.599 19.917 1.00 0.00 H ATOM 56 N ARG A1490 21.632 8.597 17.522 1.00 14.33 N ATOM 57 CA ARG A1490 20.185 8.527 17.342 1.00 12.97 C ATOM 58 C ARG A1490 19.817 7.388 16.417 1.00 15.38 C ATOM 59 O ARG A1490 20.513 7.119 15.425 1.00 16.90 O ATOM 60 CB ARG A1490 19.635 9.839 16.776 1.00 15.08 C ATOM 61 CG ARG A1490 19.600 10.964 17.791 1.00 17.97 C ATOM 62 CD ARG A1490 18.702 12.097 17.302 1.00 21.92 C ATOM 63 NE ARG A1490 18.237 12.923 18.412 1.00 23.49 N ATOM 64 CZ ARG A1490 17.246 12.575 19.230 1.00 22.60 C ATOM 65 NH1 ARG A1490 16.612 11.413 19.076 1.00 20.02 N ATOM 66 NH2 ARG A1490 16.886 13.390 20.207 1.00 25.76 N ATOM 67 HE ARG A1490 18.707 13.837 18.573 1.00 0.00 H ATOM 68 HH12 ARG A1490 15.839 11.153 19.722 1.00 0.00 H ATOM 69 HH11 ARG A1490 16.890 10.767 18.310 1.00 0.00 H ATOM 70 HH22 ARG A1490 16.112 13.123 20.849 1.00 0.00 H ATOM 71 HH21 ARG A1490 17.376 14.298 20.334 1.00 0.00 H ATOM 72 H ARG A1490 22.181 9.323 17.019 1.00 0.00 H ATOM 73 N VAL A1491 18.715 6.713 16.750 1.00 14.19 N ATOM 74 CA VAL A1491 18.235 5.585 15.982 1.00 12.02 C ATOM 75 C VAL A1491 16.715 5.642 15.950 1.00 12.88 C ATOM 76 O VAL A1491 16.107 6.471 16.630 1.00 12.18 O ATOM 77 CB VAL A1491 18.663 4.263 16.660 1.00 13.46 C ATOM 78 CG1 VAL A1491 20.173 4.171 16.761 1.00 15.26 C ATOM 79 CG2 VAL A1491 18.065 4.165 18.062 1.00 15.36 C ATOM 80 H VAL A1491 18.182 7.009 17.592 1.00 0.00 H ATOM 81 N VAL A1492 16.118 4.744 15.178 1.00 13.13 N ATOM 82 CA VAL A1492 14.689 4.498 15.230 1.00 10.94 C ATOM 83 C VAL A1492 14.565 3.016 15.578 1.00 13.62 C ATOM 84 O VAL A1492 15.117 2.176 14.884 1.00 14.68 O ATOM 85 CB VAL A1492 14.040 4.800 13.887 1.00 13.42 C ATOM 86 CG1 VAL A1492 12.534 4.727 14.002 1.00 16.01 C ATOM 87 CG2 VAL A1492 14.421 6.205 13.425 1.00 16.31 C ATOM 88 H VAL A1492 16.696 4.195 14.510 1.00 0.00 H ATOM 89 N ALA A1493 13.871 2.684 16.666 1.00 12.33 N ATOM 90 CA ALA A1493 13.924 1.305 17.153 1.00 13.90 C ATOM 91 C ALA A1493 12.575 0.746 17.554 1.00 12.81 C ATOM 92 O ALA A1493 11.706 1.479 18.000 1.00 12.16 O ATOM 93 CB ALA A1493 14.867 1.206 18.290 1.00 15.21 C ATOM 94 H ALA A1493 13.299 3.396 17.163 1.00 0.00 H ATOM 95 N LYS A1494 12.422 -0.565 17.415 1.00 13.74 N ATOM 96 CA LYS A1494 11.130 -1.211 17.645 1.00 15.49 C ATOM 97 C LYS A1494 10.738 -1.254 19.122 1.00 18.25 C ATOM 98 O LYS A1494 11.517 -1.674 19.986 1.00 17.26 O ATOM 99 CB LYS A1494 11.131 -2.628 17.042 1.00 17.58 C ATOM 100 CG LYS A1494 9.804 -3.379 17.180 1.00 20.56 C ATOM 101 CD LYS A1494 9.955 -4.845 16.741 1.00 21.62 C ATOM 102 CE LYS A1494 10.225 -4.915 15.255 1.00 26.33 C ATOM 103 NZ LYS A1494 10.548 -6.312 14.786 1.00 40.62 N ATOM 104 HZ1 LYS A1494 11.396 -6.655 15.281 1.00 0.00 H ATOM 105 HZ2 LYS A1494 9.746 -6.940 14.994 1.00 0.00 H ATOM 106 HZ3 LYS A1494 10.724 -6.300 13.761 1.00 0.00 H ATOM 107 H LYS A1494 13.239 -1.146 17.136 1.00 0.00 H ATOM 108 N TRP A1495 9.524 -0.789 19.412 1.00 15.14 N ATOM 109 CA TRP A1495 8.936 -0.964 20.731 1.00 14.28 C ATOM 110 C TRP A1495 8.140 -2.270 20.672 1.00 17.12 C ATOM 111 O TRP A1495 7.236 -2.406 19.845 1.00 17.43 O ATOM 112 CB TRP A1495 8.008 0.208 21.041 1.00 16.87 C ATOM 113 CG TRP A1495 7.377 0.115 22.401 1.00 17.12 C ATOM 114 CD1 TRP A1495 7.954 -0.352 23.546 1.00 18.21 C ATOM 115 CD2 TRP A1495 6.041 0.502 22.747 1.00 16.49 C ATOM 116 NE1 TRP A1495 7.050 -0.281 24.593 1.00 19.79 N ATOM 117 CE2 TRP A1495 5.869 0.234 24.122 1.00 17.97 C ATOM 118 CE3 TRP A1495 4.971 1.036 22.023 1.00 18.26 C ATOM 119 CZ2 TRP A1495 4.673 0.496 24.790 1.00 18.95 C ATOM 120 CZ3 TRP A1495 3.782 1.290 22.686 1.00 20.86 C ATOM 121 CH2 TRP A1495 3.643 1.017 24.055 1.00 20.65 C ATOM 122 HE1 TRP A1495 7.236 -0.570 25.574 1.00 0.00 H ATOM 123 H TRP A1495 8.983 -0.289 18.678 1.00 0.00 H ATOM 124 N SER A1496 8.491 -3.235 21.519 1.00 18.33 N ATOM 125 CA SER A1496 7.953 -4.587 21.382 1.00 21.21 C ATOM 126 C SER A1496 6.444 -4.645 21.626 1.00 22.26 C ATOM 127 O SER A1496 5.759 -5.510 21.087 1.00 24.58 O ATOM 128 CB SER A1496 8.663 -5.539 22.344 1.00 26.53 C ATOM 129 OG SER A1496 8.520 -5.087 23.677 1.00 33.77 O ATOM 130 HG SER A1496 8.917 -4.184 23.763 1.00 0.00 H ATOM 131 H SER A1496 9.157 -3.024 22.289 1.00 0.00 H ATOM 132 N SER A1497 5.921 -3.717 22.422 1.00 19.49 N ATOM 133 CA SER A1497 4.496 -3.769 22.761 1.00 19.83 C ATOM 134 C SER A1497 3.548 -3.545 21.578 1.00 24.38 C ATOM 135 O SER A1497 2.403 -4.015 21.608 1.00 23.05 O ATOM 136 CB SER A1497 4.170 -2.832 23.926 1.00 24.19 C ATOM 137 OG SER A1497 4.949 -3.170 25.062 1.00 27.06 O ATOM 138 HG SER A1497 4.751 -4.102 25.331 1.00 0.00 H ATOM 139 H SER A1497 6.521 -2.957 22.803 1.00 0.00 H ATOM 140 N ASN A1498 3.999 -2.858 20.528 1.00 18.67 N ATOM 141 CA ASN A1498 3.142 -2.719 19.347 1.00 19.54 C ATOM 142 C ASN A1498 3.837 -2.977 18.014 1.00 18.10 C ATOM 143 O ASN A1498 3.193 -2.992 16.973 1.00 17.24 O ATOM 144 CB ASN A1498 2.375 -1.381 19.334 1.00 19.59 C ATOM 145 CG ASN A1498 3.272 -0.186 19.096 1.00 18.00 C ATOM 146 OD1 ASN A1498 4.466 -0.332 18.818 1.00 14.86 O ATOM 147 ND2 ASN A1498 2.698 1.007 19.186 1.00 17.73 N ATOM 148 HD22 ASN A1498 1.688 1.082 19.423 1.00 0.00 H ATOM 149 HD21 ASN A1498 3.258 1.867 19.020 1.00 0.00 H ATOM 150 H ASN A1498 4.945 -2.427 20.547 1.00 0.00 H ATOM 151 N GLY A1499 5.154 -3.178 18.044 1.00 16.89 N ATOM 152 CA GLY A1499 5.887 -3.530 16.842 1.00 17.29 C ATOM 153 C GLY A1499 6.271 -2.370 15.943 1.00 18.27 C ATOM 154 O GLY A1499 6.869 -2.573 14.879 1.00 18.30 O ATOM 155 H GLY A1499 5.665 -3.081 18.944 1.00 0.00 H ATOM 156 N TYR A1500 5.914 -1.154 16.349 1.00 13.56 N ATOM 157 CA TYR A1500 6.288 0.041 15.596 1.00 15.83 C ATOM 158 C TYR A1500 7.679 0.502 16.038 1.00 13.97 C ATOM 159 O TYR A1500 8.093 0.231 17.165 1.00 13.99 O ATOM 160 CB TYR A1500 5.259 1.159 15.820 1.00 12.55 C ATOM 161 CG TYR A1500 4.009 1.004 14.970 1.00 14.14 C ATOM 162 CD1 TYR A1500 3.788 1.823 13.866 1.00 15.30 C ATOM 163 CD2 TYR A1500 3.063 0.035 15.262 1.00 17.24 C ATOM 164 CE1 TYR A1500 2.639 1.688 13.082 1.00 16.86 C ATOM 165 CE2 TYR A1500 1.913 -0.109 14.487 1.00 20.12 C ATOM 166 CZ TYR A1500 1.715 0.716 13.400 1.00 19.88 C ATOM 167 OH TYR A1500 0.574 0.561 12.635 1.00 25.25 O ATOM 168 HH TYR A1500 0.580 1.223 11.899 1.00 0.00 H ATOM 169 H TYR A1500 5.357 -1.052 17.221 1.00 0.00 H ATOM 170 N PHE A1501 8.388 1.212 15.164 1.00 15.13 N ATOM 171 CA PHE A1501 9.712 1.740 15.481 1.00 11.29 C ATOM 172 C PHE A1501 9.612 3.231 15.818 1.00 12.04 C ATOM 173 O PHE A1501 8.980 3.985 15.081 1.00 12.12 O ATOM 174 CB PHE A1501 10.642 1.617 14.255 1.00 11.61 C ATOM 175 CG PHE A1501 10.981 0.198 13.850 1.00 14.57 C ATOM 176 CD1 PHE A1501 12.283 -0.276 13.990 1.00 15.92 C ATOM 177 CD2 PHE A1501 10.028 -0.636 13.267 1.00 16.41 C ATOM 178 CE1 PHE A1501 12.621 -1.571 13.598 1.00 14.27 C ATOM 179 CE2 PHE A1501 10.366 -1.938 12.879 1.00 19.87 C ATOM 180 CZ PHE A1501 11.671 -2.394 13.044 1.00 16.79 C ATOM 181 H PHE A1501 7.985 1.397 14.223 1.00 0.00 H ATOM 182 N TYR A1502 10.268 3.654 16.901 1.00 12.28 N ATOM 183 CA TYR A1502 10.190 5.022 17.402 1.00 10.83 C ATOM 184 C TYR A1502 11.569 5.653 17.552 1.00 12.76 C ATOM 185 O TYR A1502 12.568 4.954 17.747 1.00 11.83 O ATOM 186 CB TYR A1502 9.506 5.038 18.785 1.00 12.32 C ATOM 187 CG TYR A1502 8.045 4.644 18.786 1.00 12.54 C ATOM 188 CD1 TYR A1502 7.042 5.609 18.801 1.00 13.26 C ATOM 189 CD2 TYR A1502 7.670 3.306 18.797 1.00 14.03 C ATOM 190 CE1 TYR A1502 5.692 5.238 18.816 1.00 13.38 C ATOM 191 CE2 TYR A1502 6.332 2.937 18.812 1.00 13.49 C ATOM 192 CZ TYR A1502 5.359 3.900 18.825 1.00 16.27 C ATOM 193 OH TYR A1502 4.039 3.489 18.839 1.00 17.83 O ATOM 194 HH TYR A1502 3.447 4.283 18.847 1.00 0.00 H ATOM 195 H TYR A1502 10.865 2.974 17.414 1.00 0.00 H ATOM 196 N SER A1503 11.616 6.982 17.490 1.00 12.50 N ATOM 197 CA SER A1503 12.869 7.733 17.627 1.00 12.76 C ATOM 198 C SER A1503 13.452 7.623 19.033 1.00 12.51 C ATOM 199 O SER A1503 12.731 7.754 20.030 1.00 12.41 O ATOM 200 CB SER A1503 12.615 9.215 17.307 1.00 13.08 C ATOM 201 OG SER A1503 13.809 9.953 17.438 1.00 15.86 O ATOM 202 HG SER A1503 14.486 9.597 16.810 1.00 0.00 H ATOM 203 H SER A1503 10.731 7.508 17.339 1.00 0.00 H ATOM 204 N GLY A1504 14.761 7.397 19.121 1.00 13.15 N ATOM 205 CA GLY A1504 15.417 7.307 20.417 1.00 11.63 C ATOM 206 C GLY A1504 16.924 7.384 20.242 1.00 13.11 C ATOM 207 O GLY A1504 17.407 7.736 19.176 1.00 11.88 O ATOM 208 H GLY A1504 15.322 7.283 18.253 1.00 0.00 H ATOM 209 N LYS A1505 17.658 7.067 21.303 1.00 13.82 N ATOM 210 CA LYS A1505 19.119 7.088 21.268 1.00 12.50 C ATOM 211 C LYS A1505 19.663 5.865 21.971 1.00 14.76 C ATOM 212 O LYS A1505 19.107 5.422 22.967 1.00 15.07 O ATOM 213 CB LYS A1505 19.641 8.330 22.006 1.00 17.14 C ATOM 214 CG LYS A1505 19.546 9.617 21.249 1.00 24.03 C ATOM 215 CD LYS A1505 20.270 10.754 21.993 1.00 28.96 C ATOM 216 CE LYS A1505 19.408 11.371 23.080 1.00 38.88 C ATOM 217 NZ LYS A1505 19.991 12.662 23.566 1.00 48.05 N ATOM 218 HZ1 LYS A1505 20.940 12.488 23.953 1.00 0.00 H ATOM 219 HZ2 LYS A1505 20.056 13.332 22.773 1.00 0.00 H ATOM 220 HZ3 LYS A1505 19.380 13.059 24.308 1.00 0.00 H ATOM 221 H LYS A1505 17.179 6.796 22.185 1.00 0.00 H ATOM 222 N ILE A1506 20.767 5.316 21.479 1.00 14.35 N ATOM 223 CA ILE A1506 21.397 4.209 22.187 1.00 12.99 C ATOM 224 C ILE A1506 22.152 4.807 23.373 1.00 15.84 C ATOM 225 O ILE A1506 22.926 5.752 23.201 1.00 15.05 O ATOM 226 CB ILE A1506 22.378 3.461 21.261 1.00 12.11 C ATOM 227 CG1 ILE A1506 21.600 2.745 20.151 1.00 14.49 C ATOM 228 CG2 ILE A1506 23.259 2.476 22.074 1.00 14.10 C ATOM 229 CD1 ILE A1506 22.500 2.127 19.056 1.00 15.86 C ATOM 230 H ILE A1506 21.180 5.674 20.594 1.00 0.00 H ATOM 231 N THR A1507 21.936 4.277 24.575 1.00 14.76 N ATOM 232 CA THR A1507 22.622 4.831 25.757 1.00 16.13 C ATOM 233 C THR A1507 23.638 3.891 26.386 1.00 20.71 C ATOM 234 O THR A1507 24.433 4.311 27.240 1.00 17.98 O ATOM 235 CB THR A1507 21.627 5.219 26.858 1.00 19.92 C ATOM 236 OG1 THR A1507 20.867 4.069 27.234 1.00 19.10 O ATOM 237 CG2 THR A1507 20.694 6.288 26.377 1.00 18.29 C ATOM 238 HG1 THR A1507 20.224 4.318 27.945 1.00 0.00 H ATOM 239 H THR A1507 21.284 3.473 24.680 1.00 0.00 H ATOM 240 N ARG A1508 23.586 2.616 26.011 1.00 16.17 N ATOM 241 CA ARG A1508 24.499 1.630 26.593 1.00 14.90 C ATOM 242 C ARG A1508 24.564 0.369 25.745 1.00 18.47 C ATOM 243 O ARG A1508 23.561 -0.087 25.211 1.00 17.30 O ATOM 244 CB ARG A1508 24.061 1.275 28.028 1.00 20.21 C ATOM 245 CG ARG A1508 25.172 0.682 28.908 1.00 24.73 C ATOM 246 CD ARG A1508 24.635 0.211 30.274 1.00 27.05 C ATOM 247 NE ARG A1508 23.883 1.260 30.955 1.00 28.60 N ATOM 248 CZ ARG A1508 23.140 1.071 32.041 1.00 34.72 C ATOM 249 NH1 ARG A1508 22.485 2.092 32.583 1.00 35.19 N ATOM 250 NH2 ARG A1508 23.044 -0.132 32.590 1.00 28.84 N ATOM 251 HE ARG A1508 23.932 2.222 30.564 1.00 0.00 H ATOM 252 HH12 ARG A1508 21.904 1.945 33.433 1.00 0.00 H ATOM 253 HH11 ARG A1508 22.554 3.039 32.158 1.00 0.00 H ATOM 254 HH22 ARG A1508 22.460 -0.271 33.440 1.00 0.00 H ATOM 255 HH21 ARG A1508 23.552 -0.937 32.171 1.00 0.00 H ATOM 256 H ARG A1508 22.891 2.317 25.298 1.00 0.00 H ATOM 257 N ASP A1509 25.766 -0.174 25.596 1.00 16.32 N ATOM 258 CA ASP A1509 25.946 -1.489 25.006 1.00 18.07 C ATOM 259 C ASP A1509 25.757 -2.496 26.151 1.00 19.31 C ATOM 260 O ASP A1509 26.522 -2.477 27.119 1.00 21.37 O ATOM 261 CB ASP A1509 27.380 -1.560 24.437 1.00 17.17 C ATOM 262 CG ASP A1509 27.648 -2.822 23.621 1.00 20.29 C ATOM 263 OD1 ASP A1509 27.091 -3.883 23.956 1.00 21.29 O ATOM 264 OD2 ASP A1509 28.453 -2.755 22.649 1.00 23.86 O ATOM 265 H ASP A1509 26.603 0.357 25.911 1.00 0.00 H ATOM 266 N VAL A1510 24.733 -3.345 26.084 1.00 19.44 N ATOM 267 CA VAL A1510 24.505 -4.313 27.162 1.00 20.80 C ATOM 268 C VAL A1510 24.849 -5.732 26.738 1.00 23.21 C ATOM 269 O VAL A1510 24.438 -6.702 27.374 1.00 24.63 O ATOM 270 CB VAL A1510 23.092 -4.224 27.781 1.00 19.41 C ATOM 271 CG1 VAL A1510 22.896 -2.846 28.419 1.00 22.09 C ATOM 272 CG2 VAL A1510 22.001 -4.504 26.738 1.00 20.70 C ATOM 273 H VAL A1510 24.093 -3.321 25.265 1.00 0.00 H ATOM 274 N GLY A1511 25.621 -5.834 25.663 1.00 21.38 N ATOM 275 CA GLY A1511 26.191 -7.102 25.244 1.00 22.64 C ATOM 276 C GLY A1511 25.199 -8.029 24.583 1.00 25.89 C ATOM 277 O GLY A1511 23.992 -7.786 24.623 1.00 24.10 O ATOM 278 H GLY A1511 25.824 -4.980 25.104 1.00 0.00 H ATOM 279 N ALA A1512 25.716 -9.095 23.978 1.00 32.18 N ATOM 280 CA ALA A1512 24.874 -10.134 23.400 1.00 33.04 C ATOM 281 C ALA A1512 23.902 -9.555 22.377 1.00 24.51 C ATOM 282 O ALA A1512 22.719 -9.874 22.397 1.00 32.49 O ATOM 283 CB ALA A1512 24.119 -10.870 24.498 1.00 28.38 C ATOM 284 H ALA A1512 26.750 -9.189 23.916 1.00 0.00 H ATOM 285 N GLY A1513 24.412 -8.697 21.502 1.00 25.99 N ATOM 286 CA GLY A1513 23.619 -8.128 20.425 1.00 28.85 C ATOM 287 C GLY A1513 22.486 -7.234 20.902 1.00 24.39 C ATOM 288 O GLY A1513 21.531 -6.986 20.158 1.00 21.46 O ATOM 289 H GLY A1513 25.411 -8.423 21.590 1.00 0.00 H ATOM 290 N LYS A1514 22.579 -6.758 22.141 1.00 20.58 N ATOM 291 CA LYS A1514 21.514 -5.942 22.721 1.00 17.21 C ATOM 292 C LYS A1514 22.021 -4.554 23.116 1.00 16.12 C ATOM 293 O LYS A1514 23.192 -4.391 23.477 1.00 19.34 O ATOM 294 CB LYS A1514 20.930 -6.655 23.936 1.00 24.93 C ATOM 295 CG LYS A1514 19.437 -6.669 23.967 1.00 29.03 C ATOM 296 CD LYS A1514 18.910 -7.547 25.115 1.00 26.42 C ATOM 297 CE LYS A1514 18.173 -8.758 24.583 1.00 34.79 C ATOM 298 NZ LYS A1514 17.384 -9.442 25.648 1.00 43.48 N ATOM 299 HZ1 LYS A1514 18.025 -9.757 26.404 1.00 0.00 H ATOM 300 HZ2 LYS A1514 16.684 -8.780 26.038 1.00 0.00 H ATOM 301 HZ3 LYS A1514 16.895 -10.265 25.241 1.00 0.00 H ATOM 302 H LYS A1514 23.425 -6.970 22.707 1.00 0.00 H ATOM 303 N TYR A1515 21.141 -3.554 23.031 1.00 15.49 N ATOM 304 CA TYR A1515 21.490 -2.176 23.382 1.00 13.70 C ATOM 305 C TYR A1515 20.403 -1.561 24.259 1.00 15.85 C ATOM 306 O TYR A1515 19.218 -1.817 24.058 1.00 15.20 O ATOM 307 CB TYR A1515 21.655 -1.330 22.112 1.00 14.84 C ATOM 308 CG TYR A1515 22.804 -1.778 21.247 1.00 16.50 C ATOM 309 CD1 TYR A1515 24.074 -1.252 21.433 1.00 17.50 C ATOM 310 CD2 TYR A1515 22.626 -2.759 20.272 1.00 15.45 C ATOM 311 CE1 TYR A1515 25.150 -1.674 20.650 1.00 20.32 C ATOM 312 CE2 TYR A1515 23.697 -3.184 19.478 1.00 21.89 C ATOM 313 CZ TYR A1515 24.950 -2.638 19.678 1.00 21.41 C ATOM 314 OH TYR A1515 26.021 -3.055 18.905 1.00 23.12 O ATOM 315 HH TYR A1515 26.836 -2.564 19.180 1.00 0.00 H ATOM 316 H TYR A1515 20.175 -3.760 22.705 1.00 0.00 H ATOM 317 N LYS A1516 20.805 -0.752 25.230 1.00 15.29 N ATOM 318 CA LYS A1516 19.832 0.007 26.006 1.00 14.04 C ATOM 319 C LYS A1516 19.457 1.237 25.194 1.00 16.09 C ATOM 320 O LYS A1516 20.318 1.930 24.670 1.00 15.01 O ATOM 321 CB LYS A1516 20.390 0.427 27.368 1.00 15.87 C ATOM 322 CG LYS A1516 19.322 0.998 28.302 1.00 19.49 C ATOM 323 CD LYS A1516 19.824 1.092 29.734 1.00 23.94 C ATOM 324 CE LYS A1516 20.144 -0.292 30.306 1.00 22.35 C ATOM 325 NZ LYS A1516 18.978 -1.212 30.361 1.00 23.48 N ATOM 326 HZ1 LYS A1516 18.238 -0.796 30.962 1.00 0.00 H ATOM 327 HZ2 LYS A1516 18.606 -1.356 29.401 1.00 0.00 H ATOM 328 HZ3 LYS A1516 19.277 -2.125 30.759 1.00 0.00 H ATOM 329 H LYS A1516 21.820 -0.659 25.439 1.00 0.00 H ATOM 330 N LEU A1517 18.162 1.485 25.070 1.00 13.92 N ATOM 331 CA LEU A1517 17.682 2.612 24.300 1.00 13.82 C ATOM 332 C LEU A1517 17.001 3.591 25.225 1.00 19.12 C ATOM 333 O LEU A1517 16.303 3.187 26.153 1.00 21.49 O ATOM 334 CB LEU A1517 16.643 2.141 23.315 1.00 22.87 C ATOM 335 CG LEU A1517 17.079 1.414 22.072 1.00 28.22 C ATOM 336 CD1 LEU A1517 15.865 1.443 21.314 1.00 25.64 C ATOM 337 CD2 LEU A1517 18.166 2.137 21.322 1.00 24.98 C ATOM 338 H LEU A1517 17.476 0.857 25.536 1.00 0.00 H ATOM 339 N LEU A1518 17.208 4.878 24.987 1.00 15.53 N ATOM 340 CA LEU A1518 16.337 5.879 25.591 1.00 15.46 C ATOM 341 C LEU A1518 15.459 6.444 24.478 1.00 15.22 C ATOM 342 O LEU A1518 15.936 7.163 23.598 1.00 13.50 O ATOM 343 CB LEU A1518 17.168 6.985 26.249 1.00 14.97 C ATOM 344 CG LEU A1518 16.440 8.249 26.711 1.00 16.26 C ATOM 345 CD1 LEU A1518 15.465 7.920 27.836 1.00 16.88 C ATOM 346 CD2 LEU A1518 17.440 9.302 27.139 1.00 19.54 C ATOM 347 H LEU A1518 17.991 5.174 24.370 1.00 0.00 H ATOM 348 N PHE A1519 14.174 6.114 24.487 1.00 14.83 N ATOM 349 CA PHE A1519 13.301 6.697 23.485 1.00 12.00 C ATOM 350 C PHE A1519 13.102 8.187 23.762 1.00 13.59 C ATOM 351 O PHE A1519 13.276 8.647 24.900 1.00 13.91 O ATOM 352 CB PHE A1519 11.967 5.958 23.469 1.00 11.46 C ATOM 353 CG PHE A1519 12.047 4.595 22.843 1.00 12.29 C ATOM 354 CD1 PHE A1519 11.987 4.450 21.457 1.00 10.92 C ATOM 355 CD2 PHE A1519 12.165 3.464 23.634 1.00 15.92 C ATOM 356 CE1 PHE A1519 12.049 3.192 20.873 1.00 17.07 C ATOM 357 CE2 PHE A1519 12.227 2.195 23.060 1.00 16.03 C ATOM 358 CZ PHE A1519 12.168 2.059 21.676 1.00 18.02 C ATOM 359 H PHE A1519 13.800 5.452 25.197 1.00 0.00 H ATOM 360 N ASP A1520 12.737 8.940 22.730 1.00 13.70 N ATOM 361 CA ASP A1520 12.565 10.378 22.883 1.00 14.25 C ATOM 362 C ASP A1520 11.464 10.698 23.893 1.00 15.77 C ATOM 363 O ASP A1520 11.474 11.776 24.490 1.00 15.83 O ATOM 364 CB ASP A1520 12.244 11.054 21.538 1.00 14.63 C ATOM 365 CG ASP A1520 13.436 11.097 20.595 1.00 17.93 C ATOM 366 OD1 ASP A1520 14.547 10.714 21.011 1.00 18.10 O ATOM 367 OD2 ASP A1520 13.270 11.538 19.435 1.00 17.18 O ATOM 368 H ASP A1520 12.572 8.498 21.803 1.00 0.00 H ATOM 369 N ASP A1521 10.534 9.765 24.091 1.00 14.54 N ATOM 370 CA ASP A1521 9.457 9.980 25.061 1.00 16.16 C ATOM 371 C ASP A1521 9.875 9.687 26.497 1.00 20.92 C ATOM 372 O ASP A1521 9.070 9.853 27.419 1.00 19.94 O ATOM 373 CB ASP A1521 8.159 9.232 24.692 1.00 17.28 C ATOM 374 CG ASP A1521 8.294 7.727 24.759 1.00 19.00 C ATOM 375 OD1 ASP A1521 9.344 7.226 25.204 1.00 15.74 O ATOM 376 OD2 ASP A1521 7.331 7.036 24.363 1.00 18.85 O ATOM 377 H ASP A1521 10.573 8.876 23.552 1.00 0.00 H ATOM 378 N GLY A1522 11.130 9.269 26.682 1.00 18.02 N ATOM 379 CA GLY A1522 11.674 9.069 28.014 1.00 15.69 C ATOM 380 C GLY A1522 11.730 7.623 28.458 1.00 16.36 C ATOM 381 O GLY A1522 12.323 7.305 29.490 1.00 18.01 O ATOM 382 H GLY A1522 11.731 9.083 25.854 1.00 0.00 H ATOM 383 N TYR A1523 11.127 6.731 27.687 1.00 15.07 N ATOM 384 CA TYR A1523 11.108 5.328 28.068 1.00 13.29 C ATOM 385 C TYR A1523 12.452 4.704 27.790 1.00 17.86 C ATOM 386 O TYR A1523 13.002 4.896 26.703 1.00 15.40 O ATOM 387 CB TYR A1523 10.054 4.583 27.257 1.00 14.88 C ATOM 388 CG TYR A1523 9.890 3.138 27.641 1.00 14.99 C ATOM 389 CD1 TYR A1523 9.628 2.770 28.960 1.00 16.22 C ATOM 390 CD2 TYR A1523 9.979 2.136 26.681 1.00 17.46 C ATOM 391 CE1 TYR A1523 9.449 1.422 29.312 1.00 17.77 C ATOM 392 CE2 TYR A1523 9.815 0.792 27.021 1.00 18.40 C ATOM 393 CZ TYR A1523 9.553 0.449 28.330 1.00 20.06 C ATOM 394 OH TYR A1523 9.396 -0.878 28.651 1.00 23.42 O ATOM 395 HH TYR A1523 8.637 -1.253 28.138 1.00 0.00 H ATOM 396 H TYR A1523 10.665 7.035 26.806 1.00 0.00 H ATOM 397 N GLU A1524 12.970 3.942 28.758 1.00 15.18 N ATOM 398 CA GLU A1524 14.242 3.255 28.569 1.00 19.61 C ATOM 399 C GLU A1524 14.057 1.742 28.654 1.00 16.42 C ATOM 400 O GLU A1524 13.403 1.238 29.577 1.00 19.70 O ATOM 401 CB GLU A1524 15.277 3.741 29.598 1.00 21.53 C ATOM 402 CG GLU A1524 16.703 3.324 29.227 1.00 26.09 C ATOM 403 CD GLU A1524 17.766 4.266 29.766 1.00 32.86 C ATOM 404 OE1 GLU A1524 18.753 4.527 29.032 1.00 30.15 O ATOM 405 OE2 GLU A1524 17.621 4.735 30.918 1.00 28.88 O ATOM 406 H GLU A1524 12.459 3.838 29.658 1.00 0.00 H ATOM 407 N CYS A1525 14.609 1.013 27.685 1.00 14.22 N ATOM 408 CA CYS A1525 14.548 -0.451 27.714 1.00 15.38 C ATOM 409 C CYS A1525 15.614 -1.043 26.808 1.00 16.92 C ATOM 410 O CYS A1525 16.282 -0.318 26.077 1.00 18.29 O ATOM 411 CB CYS A1525 13.160 -0.956 27.303 1.00 20.74 C ATOM 412 SG CYS A1525 12.767 -0.746 25.554 1.00 22.06 S ATOM 413 H CYS A1525 15.090 1.490 26.896 1.00 0.00 H ATOM 414 N ASP A1526 15.790 -2.357 26.865 1.00 16.17 N ATOM 415 CA ASP A1526 16.785 -2.999 26.018 1.00 15.03 C ATOM 416 C ASP A1526 16.144 -3.482 24.719 1.00 16.93 C ATOM 417 O ASP A1526 15.002 -3.939 24.722 1.00 18.55 O ATOM 418 CB ASP A1526 17.447 -4.160 26.764 1.00 18.36 C ATOM 419 CG ASP A1526 18.134 -3.708 28.036 1.00 24.06 C ATOM 420 OD1 ASP A1526 18.510 -2.515 28.110 1.00 23.37 O ATOM 421 OD2 ASP A1526 18.286 -4.534 28.961 1.00 28.92 O ATOM 422 H ASP A1526 15.216 -2.930 27.516 1.00 0.00 H ATOM 423 N VAL A1527 16.879 -3.348 23.617 1.00 17.02 N ATOM 424 CA VAL A1527 16.382 -3.667 22.270 1.00 18.25 C ATOM 425 C VAL A1527 17.471 -4.412 21.501 1.00 19.47 C ATOM 426 O VAL A1527 18.656 -4.053 21.569 1.00 16.95 O ATOM 427 CB VAL A1527 15.935 -2.389 21.503 1.00 15.04 C ATOM 428 CG1 VAL A1527 15.476 -2.729 20.070 1.00 16.34 C ATOM 429 CG2 VAL A1527 14.788 -1.696 22.249 1.00 17.61 C ATOM 430 H VAL A1527 17.854 -3.000 23.714 1.00 0.00 H ATOM 431 N LEU A1528 17.078 -5.477 20.811 1.00 16.93 N ATOM 432 CA LEU A1528 18.001 -6.260 19.994 1.00 17.79 C ATOM 433 C LEU A1528 18.486 -5.431 18.835 1.00 20.06 C ATOM 434 O LEU A1528 17.711 -4.676 18.250 1.00 16.07 O ATOM 435 CB LEU A1528 17.284 -7.483 19.423 1.00 19.35 C ATOM 436 CG LEU A1528 16.939 -8.530 20.473 1.00 26.25 C ATOM 437 CD1 LEU A1528 15.939 -9.516 19.927 1.00 31.07 C ATOM 438 CD2 LEU A1528 18.216 -9.232 20.909 1.00 26.29 C ATOM 439 H LEU A1528 16.079 -5.763 20.854 1.00 0.00 H ATOM 440 N GLY A1529 19.763 -5.573 18.486 1.00 17.99 N ATOM 441 CA GLY A1529 20.306 -4.861 17.342 1.00 16.64 C ATOM 442 C GLY A1529 19.483 -4.984 16.068 1.00 18.33 C ATOM 443 O GLY A1529 19.409 -4.023 15.292 1.00 15.63 O ATOM 444 H GLY A1529 20.380 -6.202 19.039 1.00 0.00 H ATOM 445 N LYS A1530 18.864 -6.145 15.850 1.00 17.20 N ATOM 446 CA LYS A1530 18.105 -6.376 14.621 1.00 17.44 C ATOM 447 C LYS A1530 16.868 -5.475 14.561 1.00 19.13 C ATOM 448 O LYS A1530 16.296 -5.250 13.479 1.00 19.00 O ATOM 449 CB LYS A1530 17.695 -7.848 14.501 1.00 20.64 C ATOM 450 CG LYS A1530 16.649 -8.294 15.514 1.00 25.07 C ATOM 451 CD LYS A1530 16.291 -9.772 15.340 1.00 27.44 C ATOM 452 CE LYS A1530 15.041 -10.126 16.120 1.00 31.07 C ATOM 453 NZ LYS A1530 13.812 -9.471 15.556 1.00 41.33 N ATOM 454 HZ1 LYS A1530 13.928 -8.438 15.584 1.00 0.00 H ATOM 455 HZ2 LYS A1530 13.677 -9.780 14.572 1.00 0.00 H ATOM 456 HZ3 LYS A1530 12.984 -9.744 16.123 1.00 0.00 H ATOM 457 H LYS A1530 18.922 -6.898 16.565 1.00 0.00 H ATOM 458 N ASP A1531 16.475 -4.951 15.722 1.00 15.25 N ATOM 459 CA ASP A1531 15.281 -4.111 15.845 1.00 14.55 C ATOM 460 C ASP A1531 15.638 -2.632 15.981 1.00 15.95 C ATOM 461 O ASP A1531 14.792 -1.811 16.348 1.00 15.91 O ATOM 462 CB ASP A1531 14.447 -4.563 17.056 1.00 15.24 C ATOM 463 CG ASP A1531 13.822 -5.941 16.859 1.00 22.78 C ATOM 464 OD1 ASP A1531 13.516 -6.308 15.706 1.00 24.24 O ATOM 465 OD2 ASP A1531 13.643 -6.656 17.859 1.00 25.96 O ATOM 466 H ASP A1531 17.038 -5.146 16.574 1.00 0.00 H ATOM 467 N ILE A1532 16.897 -2.305 15.699 1.00 13.50 N ATOM 468 CA ILE A1532 17.375 -0.928 15.736 1.00 12.87 C ATOM 469 C ILE A1532 17.838 -0.478 14.354 1.00 16.26 C ATOM 470 O ILE A1532 18.676 -1.134 13.715 1.00 16.91 O ATOM 471 CB ILE A1532 18.563 -0.751 16.708 1.00 12.83 C ATOM 472 CG1 ILE A1532 18.166 -1.142 18.129 1.00 15.11 C ATOM 473 CG2 ILE A1532 19.050 0.684 16.672 1.00 16.64 C ATOM 474 CD1 ILE A1532 19.368 -1.218 19.085 1.00 15.58 C ATOM 475 H ILE A1532 17.565 -3.060 15.443 1.00 0.00 H ATOM 476 N LEU A1533 17.289 0.637 13.885 1.00 14.25 N ATOM 477 CA LEU A1533 17.709 1.219 12.612 1.00 12.47 C ATOM 478 C LEU A1533 18.578 2.437 12.855 1.00 15.71 C ATOM 479 O LEU A1533 18.155 3.403 13.493 1.00 12.32 O ATOM 480 CB LEU A1533 16.481 1.634 11.796 1.00 12.59 C ATOM 481 CG LEU A1533 15.520 0.478 11.587 1.00 14.99 C ATOM 482 CD1 LEU A1533 14.231 0.974 10.953 1.00 14.89 C ATOM 483 CD2 LEU A1533 16.184 -0.605 10.723 1.00 17.40 C ATOM 484 H LEU A1533 16.543 1.107 14.437 1.00 0.00 H ATOM 485 N LEU A1534 19.801 2.398 12.335 1.00 14.14 N ATOM 486 CA LEU A1534 20.740 3.488 12.536 1.00 14.49 C ATOM 487 C LEU A1534 20.539 4.545 11.461 1.00 19.86 C ATOM 488 O LEU A1534 21.360 4.683 10.559 1.00 23.04 O ATOM 489 CB LEU A1534 22.184 2.946 12.499 1.00 17.82 C ATOM 490 CG LEU A1534 23.303 3.859 13.025 1.00 24.23 C ATOM 491 CD1 LEU A1534 23.085 4.202 14.484 1.00 25.09 C ATOM 492 CD2 LEU A1534 24.664 3.183 12.854 1.00 25.43 C ATOM 493 H LEU A1534 20.091 1.572 11.774 1.00 0.00 H ATOM 494 N CYS A1535 19.428 5.270 11.521 1.00 19.47 N ATOM 495 CA CYS A1535 19.260 6.412 10.633 1.00 20.12 C ATOM 496 C CYS A1535 18.855 7.654 11.396 1.00 18.37 C ATOM 497 O CYS A1535 17.975 7.627 12.255 1.00 18.77 O ATOM 498 CB CYS A1535 18.328 6.123 9.446 1.00 27.95 C ATOM 499 SG CYS A1535 16.794 5.298 9.828 1.00 29.85 S ATOM 500 H CYS A1535 18.680 5.023 12.200 1.00 0.00 H ATOM 501 N ASP A1536 19.571 8.729 11.112 1.00 18.02 N ATOM 502 CA ASP A1536 19.331 10.023 11.717 1.00 19.40 C ATOM 503 C ASP A1536 19.779 11.073 10.702 1.00 21.08 C ATOM 504 O ASP A1536 20.957 11.366 10.598 1.00 19.91 O ATOM 505 CB ASP A1536 20.152 10.155 12.999 1.00 16.79 C ATOM 506 CG ASP A1536 20.102 11.544 13.574 1.00 19.21 C ATOM 507 OD1 ASP A1536 21.058 11.932 14.284 1.00 23.40 O ATOM 508 OD2 ASP A1536 19.112 12.253 13.307 1.00 22.26 O ATOM 509 H ASP A1536 20.343 8.641 10.421 1.00 0.00 H ATOM 510 N PRO A1537 18.842 11.646 9.944 1.00 16.82 N ATOM 511 CA PRO A1537 17.390 11.454 9.972 1.00 12.45 C ATOM 512 C PRO A1537 16.925 10.255 9.159 1.00 13.69 C ATOM 513 O PRO A1537 17.701 9.637 8.418 1.00 14.84 O ATOM 514 CB PRO A1537 16.868 12.734 9.311 1.00 17.54 C ATOM 515 CG PRO A1537 17.951 13.107 8.338 1.00 23.06 C ATOM 516 CD PRO A1537 19.247 12.715 9.007 1.00 21.63 C ATOM 517 N ILE A1538 15.646 9.928 9.293 1.00 14.93 N ATOM 518 CA ILE A1538 15.018 9.004 8.358 1.00 13.27 C ATOM 519 C ILE A1538 15.171 9.649 6.984 1.00 13.98 C ATOM 520 O ILE A1538 14.905 10.840 6.827 1.00 16.07 O ATOM 521 CB ILE A1538 13.531 8.821 8.705 1.00 11.82 C ATOM 522 CG1 ILE A1538 13.399 8.212 10.109 1.00 11.81 C ATOM 523 CG2 ILE A1538 12.811 7.937 7.668 1.00 14.49 C ATOM 524 CD1 ILE A1538 12.021 8.389 10.725 1.00 12.18 C ATOM 525 H ILE A1538 15.088 10.334 10.071 1.00 0.00 H ATOM 526 N PRO A1539 15.623 8.877 5.988 1.00 14.47 N ATOM 527 CA PRO A1539 16.003 9.480 4.699 1.00 17.34 C ATOM 528 C PRO A1539 14.820 10.002 3.895 1.00 15.94 C ATOM 529 O PRO A1539 13.699 9.500 4.026 1.00 14.59 O ATOM 530 CB PRO A1539 16.643 8.311 3.933 1.00 18.17 C ATOM 531 CG PRO A1539 17.079 7.340 4.999 1.00 24.78 C ATOM 532 CD PRO A1539 16.057 7.471 6.100 1.00 15.59 C ATOM 533 N LEU A1540 15.071 11.010 3.065 1.00 14.03 N ATOM 534 CA LEU A1540 14.064 11.464 2.100 1.00 12.81 C ATOM 535 C LEU A1540 13.490 10.289 1.299 1.00 16.15 C ATOM 536 O LEU A1540 14.202 9.323 1.004 1.00 16.74 O ATOM 537 CB LEU A1540 14.685 12.475 1.134 1.00 15.37 C ATOM 538 CG LEU A1540 15.171 13.774 1.772 1.00 18.07 C ATOM 539 CD1 LEU A1540 16.044 14.559 0.778 1.00 18.20 C ATOM 540 CD2 LEU A1540 13.988 14.625 2.247 1.00 20.63 C ATOM 541 H LEU A1540 15.996 11.484 3.101 1.00 0.00 H ATOM 542 N ASP A1541 12.194 10.379 0.991 1.00 13.67 N ATOM 543 CA ASP A1541 11.447 9.369 0.230 1.00 15.62 C ATOM 544 C ASP A1541 11.104 8.072 0.982 1.00 15.80 C ATOM 545 O ASP A1541 10.473 7.170 0.428 1.00 19.31 O ATOM 546 CB ASP A1541 12.106 9.098 -1.138 1.00 19.39 C ATOM 547 CG ASP A1541 11.966 10.280 -2.089 1.00 25.89 C ATOM 548 OD1 ASP A1541 10.979 11.032 -1.947 1.00 24.61 O ATOM 549 OD2 ASP A1541 12.834 10.461 -2.967 1.00 31.65 O ATOM 550 H ASP A1541 11.678 11.223 1.312 1.00 0.00 H ATOM 551 N THR A1542 11.460 7.998 2.255 1.00 13.57 N ATOM 552 CA THR A1542 11.052 6.851 3.067 1.00 14.82 C ATOM 553 C THR A1542 9.546 6.850 3.349 1.00 13.03 C ATOM 554 O THR A1542 8.970 7.888 3.715 1.00 13.23 O ATOM 555 CB THR A1542 11.782 6.829 4.405 1.00 17.14 C ATOM 556 OG1 THR A1542 13.198 6.866 4.175 1.00 17.23 O ATOM 557 CG2 THR A1542 11.414 5.573 5.202 1.00 13.80 C ATOM 558 HG1 THR A1542 13.465 6.078 3.639 1.00 0.00 H ATOM 559 H THR A1542 12.031 8.757 2.679 1.00 0.00 H ATOM 560 N GLU A1543 8.906 5.687 3.208 1.00 12.77 N ATOM 561 CA GLU A1543 7.508 5.549 3.633 1.00 15.22 C ATOM 562 C GLU A1543 7.453 5.404 5.160 1.00 14.01 C ATOM 563 O GLU A1543 8.084 4.505 5.730 1.00 13.29 O ATOM 564 CB GLU A1543 6.861 4.333 2.954 1.00 14.95 C ATOM 565 CG GLU A1543 6.801 4.466 1.425 1.00 19.24 C ATOM 566 CD GLU A1543 6.059 3.321 0.742 1.00 29.75 C ATOM 567 OE1 GLU A1543 5.048 2.842 1.291 1.00 36.59 O ATOM 568 OE2 GLU A1543 6.481 2.915 -0.357 1.00 38.75 O ATOM 569 H GLU A1543 9.402 4.872 2.794 1.00 0.00 H ATOM 570 N VAL A1544 6.712 6.298 5.812 1.00 13.11 N ATOM 571 CA VAL A1544 6.636 6.346 7.269 1.00 11.45 C ATOM 572 C VAL A1544 5.190 6.488 7.737 1.00 11.58 C ATOM 573 O VAL A1544 4.249 6.545 6.930 1.00 11.46 O ATOM 574 CB VAL A1544 7.431 7.535 7.828 1.00 11.87 C ATOM 575 CG1 VAL A1544 8.907 7.453 7.405 1.00 12.29 C ATOM 576 CG2 VAL A1544 6.828 8.862 7.343 1.00 13.71 C ATOM 577 H VAL A1544 6.165 6.990 5.261 1.00 0.00 H ATOM 578 N THR A1545 5.036 6.570 9.051 1.00 13.16 N ATOM 579 CA THR A1545 3.731 6.758 9.681 1.00 11.00 C ATOM 580 C THR A1545 3.861 8.007 10.550 1.00 14.00 C ATOM 581 O THR A1545 4.876 8.199 11.208 1.00 13.91 O ATOM 582 CB THR A1545 3.381 5.526 10.534 1.00 13.93 C ATOM 583 OG1 THR A1545 3.187 4.394 9.666 1.00 14.54 O ATOM 584 CG2 THR A1545 2.095 5.752 11.321 1.00 14.64 C ATOM 585 HG1 THR A1545 4.019 4.223 9.158 1.00 0.00 H ATOM 586 H THR A1545 5.878 6.498 9.658 1.00 0.00 H ATOM 587 N ALA A1546 2.858 8.878 10.525 1.00 13.70 N ATOM 588 CA ALA A1546 2.928 10.107 11.305 1.00 13.32 C ATOM 589 C ALA A1546 1.834 10.090 12.357 1.00 17.01 C ATOM 590 O ALA A1546 0.685 9.748 12.046 1.00 16.24 O ATOM 591 CB ALA A1546 2.781 11.321 10.394 1.00 16.29 C ATOM 592 H ALA A1546 2.017 8.681 9.945 1.00 0.00 H ATOM 593 N LEU A1547 2.197 10.446 13.595 1.00 14.49 N ATOM 594 CA LEU A1547 1.241 10.558 14.698 1.00 17.42 C ATOM 595 C LEU A1547 0.771 11.998 14.873 1.00 20.73 C ATOM 596 O LEU A1547 1.584 12.919 14.993 1.00 20.11 O ATOM 597 CB LEU A1547 1.879 10.129 16.012 1.00 18.94 C ATOM 598 CG LEU A1547 2.317 8.690 16.208 1.00 24.73 C ATOM 599 CD1 LEU A1547 3.079 8.550 17.531 1.00 28.21 C ATOM 600 CD2 LEU A1547 1.098 7.793 16.194 1.00 25.84 C ATOM 601 H LEU A1547 3.199 10.652 13.781 1.00 0.00 H ATOM 602 N SER A1548 -0.541 12.184 14.927 1.00 17.06 N ATOM 603 CA SER A1548 -1.114 13.517 15.086 1.00 20.57 C ATOM 604 C SER A1548 -1.124 13.854 16.565 1.00 25.26 C ATOM 605 O SER A1548 -0.921 12.972 17.400 1.00 27.63 O ATOM 606 CB SER A1548 -2.542 13.526 14.556 1.00 23.17 C ATOM 607 OG SER A1548 -3.383 12.779 15.424 1.00 25.93 O ATOM 608 HG SER A1548 -4.309 12.789 15.074 1.00 0.00 H ATOM 609 H SER A1548 -1.175 11.363 14.855 1.00 0.00 H ATOM 610 N GLU A1549 -1.372 15.119 16.900 1.00 23.71 N ATOM 611 CA GLU A1549 -1.418 15.516 18.300 1.00 27.41 C ATOM 612 C GLU A1549 -2.666 14.982 18.999 1.00 29.68 C ATOM 613 O GLU A1549 -2.736 14.978 20.229 1.00 33.20 O ATOM 614 CB GLU A1549 -1.309 17.036 18.443 1.00 32.59 C ATOM 615 CG GLU A1549 0.129 17.537 18.376 1.00 38.11 C ATOM 616 CD GLU A1549 1.072 16.722 19.260 1.00 48.57 C ATOM 617 OE1 GLU A1549 0.995 16.859 20.502 1.00 50.94 O ATOM 618 OE2 GLU A1549 1.889 15.936 18.713 1.00 46.86 O ATOM 619 H GLU A1549 -1.534 15.828 16.157 1.00 0.00 H ATOM 620 N ASP A1550 -3.627 14.496 18.219 1.00 24.67 N ATOM 621 CA ASP A1550 -4.865 13.965 18.802 1.00 29.78 C ATOM 622 C ASP A1550 -5.037 12.437 18.701 1.00 28.60 C ATOM 623 O ASP A1550 -6.165 11.943 18.607 1.00 25.73 O ATOM 624 CB ASP A1550 -6.088 14.698 18.236 1.00 30.98 C ATOM 625 CG ASP A1550 -6.324 14.413 16.769 1.00 34.81 C ATOM 626 OD1 ASP A1550 -5.475 13.761 16.126 1.00 33.75 O ATOM 627 OD2 ASP A1550 -7.368 14.855 16.251 1.00 42.72 O ATOM 628 H ASP A1550 -3.500 14.492 17.187 1.00 0.00 H ATOM 629 N GLU A1551 -3.916 11.711 18.717 1.00 25.01 N ATOM 630 CA GLU A1551 -3.895 10.247 18.863 1.00 26.85 C ATOM 631 C GLU A1551 -4.314 9.482 17.614 1.00 22.98 C ATOM 632 O GLU A1551 -4.820 8.367 17.731 1.00 24.14 O ATOM 633 CB GLU A1551 -4.773 9.765 20.037 1.00 24.78 C ATOM 634 CG GLU A1551 -4.585 10.521 21.361 1.00 34.56 C ATOM 635 CD GLU A1551 -3.273 10.201 22.038 1.00 40.24 C ATOM 636 OE1 GLU A1551 -3.289 9.439 23.031 1.00 47.37 O ATOM 637 OE2 GLU A1551 -2.226 10.714 21.586 1.00 46.43 O ATOM 638 H GLU A1551 -3.008 12.208 18.621 1.00 0.00 H ATOM 639 N TYR A1552 -4.122 10.065 16.434 1.00 20.35 N ATOM 640 CA TYR A1552 -4.374 9.325 15.203 1.00 17.16 C ATOM 641 C TYR A1552 -3.066 9.115 14.451 1.00 19.75 C ATOM 642 O TYR A1552 -2.091 9.836 14.693 1.00 21.17 O ATOM 643 CB TYR A1552 -5.407 10.054 14.337 1.00 19.60 C ATOM 644 CG TYR A1552 -6.798 9.931 14.915 1.00 21.93 C ATOM 645 CD1 TYR A1552 -7.672 8.956 14.461 1.00 24.56 C ATOM 646 CD2 TYR A1552 -7.213 10.754 15.958 1.00 24.50 C ATOM 647 CE1 TYR A1552 -8.953 8.820 15.010 1.00 26.00 C ATOM 648 CE2 TYR A1552 -8.481 10.625 16.515 1.00 25.61 C ATOM 649 CZ TYR A1552 -9.341 9.656 16.033 1.00 29.24 C ATOM 650 OH TYR A1552 -10.598 9.526 16.584 1.00 30.90 O ATOM 651 HH TYR A1552 -11.082 8.792 16.129 1.00 0.00 H ATOM 652 H TYR A1552 -3.792 11.050 16.389 1.00 0.00 H ATOM 653 N PHE A1553 -3.032 8.117 13.571 1.00 19.87 N ATOM 654 CA PHE A1553 -1.852 7.913 12.740 1.00 18.84 C ATOM 655 C PHE A1553 -2.235 7.756 11.282 1.00 18.69 C ATOM 656 O PHE A1553 -3.346 7.299 10.965 1.00 22.96 O ATOM 657 CB PHE A1553 -1.013 6.731 13.230 1.00 16.55 C ATOM 658 CG PHE A1553 -1.637 5.382 12.996 1.00 18.53 C ATOM 659 CD1 PHE A1553 -1.234 4.591 11.925 1.00 23.48 C ATOM 660 CD2 PHE A1553 -2.587 4.882 13.870 1.00 20.21 C ATOM 661 CE1 PHE A1553 -1.790 3.343 11.716 1.00 24.83 C ATOM 662 CE2 PHE A1553 -3.145 3.636 13.669 1.00 20.51 C ATOM 663 CZ PHE A1553 -2.748 2.862 12.590 1.00 26.42 C ATOM 664 H PHE A1553 -3.849 7.481 13.476 1.00 0.00 H ATOM 665 N SER A1554 -1.330 8.151 10.388 1.00 16.88 N ATOM 666 CA SER A1554 -1.575 7.988 8.960 1.00 17.56 C ATOM 667 C SER A1554 -0.248 7.734 8.278 1.00 17.23 C ATOM 668 O SER A1554 0.797 8.081 8.815 1.00 14.86 O ATOM 669 CB SER A1554 -2.229 9.240 8.382 1.00 22.87 C ATOM 670 OG SER A1554 -1.549 10.399 8.824 1.00 27.91 O ATOM 671 HG SER A1554 -1.583 10.443 9.812 1.00 0.00 H ATOM 672 H SER A1554 -0.440 8.580 10.712 1.00 0.00 H ATOM 673 N ALA A1555 -0.283 7.119 7.102 1.00 16.13 N ATOM 674 CA ALA A1555 0.959 6.841 6.388 1.00 17.45 C ATOM 675 C ALA A1555 1.324 8.026 5.511 1.00 19.30 C ATOM 676 O ALA A1555 0.446 8.748 5.040 1.00 21.30 O ATOM 677 CB ALA A1555 0.827 5.572 5.562 1.00 20.07 C ATOM 678 H ALA A1555 -1.195 6.836 6.690 1.00 0.00 H ATOM 679 N GLY A1556 2.618 8.228 5.286 1.00 14.81 N ATOM 680 CA GLY A1556 3.061 9.293 4.402 1.00 16.17 C ATOM 681 C GLY A1556 4.488 9.030 3.958 1.00 13.67 C ATOM 682 O GLY A1556 5.041 7.972 4.242 1.00 13.89 O ATOM 683 H GLY A1556 3.322 7.617 5.748 1.00 0.00 H ATOM 684 N VAL A1557 5.079 9.991 3.259 1.00 12.96 N ATOM 685 CA VAL A1557 6.427 9.837 2.735 1.00 12.11 C ATOM 686 C VAL A1557 7.272 11.036 3.145 1.00 12.79 C ATOM 687 O VAL A1557 6.823 12.178 3.053 1.00 13.05 O ATOM 688 CB VAL A1557 6.411 9.715 1.192 1.00 13.81 C ATOM 689 CG1 VAL A1557 7.857 9.721 0.629 1.00 14.65 C ATOM 690 CG2 VAL A1557 5.671 8.468 0.775 1.00 17.33 C ATOM 691 H VAL A1557 4.565 10.877 3.081 1.00 0.00 H ATOM 692 N VAL A1558 8.496 10.789 3.614 1.00 11.62 N ATOM 693 CA VAL A1558 9.348 11.894 4.042 1.00 11.63 C ATOM 694 C VAL A1558 9.767 12.710 2.818 1.00 13.15 C ATOM 695 O VAL A1558 10.360 12.173 1.885 1.00 13.37 O ATOM 696 CB VAL A1558 10.608 11.382 4.746 1.00 12.71 C ATOM 697 CG1 VAL A1558 11.571 12.554 5.054 1.00 13.85 C ATOM 698 CG2 VAL A1558 10.223 10.625 6.020 1.00 13.98 C ATOM 699 H VAL A1558 8.843 9.810 3.675 1.00 0.00 H ATOM 700 N LYS A1559 9.474 14.006 2.825 1.00 14.21 N ATOM 701 CA LYS A1559 9.872 14.854 1.703 1.00 13.69 C ATOM 702 C LYS A1559 10.763 16.016 2.122 1.00 16.17 C ATOM 703 O LYS A1559 11.226 16.765 1.278 1.00 15.15 O ATOM 704 CB LYS A1559 8.638 15.394 0.972 1.00 15.29 C ATOM 705 CG LYS A1559 7.878 14.334 0.187 1.00 16.62 C ATOM 706 CD LYS A1559 8.731 13.807 -0.968 1.00 18.49 C ATOM 707 CE LYS A1559 7.896 12.929 -1.888 1.00 23.43 C ATOM 708 NZ LYS A1559 8.730 12.315 -2.948 1.00 26.77 N ATOM 709 HZ1 LYS A1559 9.173 13.065 -3.517 1.00 0.00 H ATOM 710 HZ2 LYS A1559 9.469 11.728 -2.510 1.00 0.00 H ATOM 711 HZ3 LYS A1559 8.132 11.723 -3.559 1.00 0.00 H ATOM 712 H LYS A1559 8.961 14.418 3.630 1.00 0.00 H ATOM 713 N GLY A1560 10.993 16.174 3.418 1.00 14.10 N ATOM 714 CA GLY A1560 11.806 17.282 3.887 1.00 16.80 C ATOM 715 C GLY A1560 12.302 17.086 5.306 1.00 17.48 C ATOM 716 O GLY A1560 11.732 16.299 6.071 1.00 16.29 O ATOM 717 H GLY A1560 10.590 15.502 4.101 1.00 0.00 H ATOM 718 N HIS A1561 13.375 17.789 5.643 1.00 15.46 N ATOM 719 CA HIS A1561 13.896 17.843 7.007 1.00 16.29 C ATOM 720 C HIS A1561 14.162 19.305 7.308 1.00 19.83 C ATOM 721 O HIS A1561 14.495 20.078 6.405 1.00 21.43 O ATOM 722 CB HIS A1561 15.258 17.155 7.113 1.00 22.62 C ATOM 723 CG HIS A1561 15.293 15.740 6.633 1.00 19.89 C ATOM 724 ND1 HIS A1561 16.295 15.268 5.813 1.00 28.62 N ATOM 725 CD2 HIS A1561 14.509 14.673 6.923 1.00 24.54 C ATOM 726 CE1 HIS A1561 16.096 13.984 5.571 1.00 25.02 C ATOM 727 NE2 HIS A1561 15.015 13.599 6.232 1.00 21.69 N ATOM 728 H HIS A1561 13.868 18.327 4.902 1.00 0.00 H ATOM 729 N ARG A1562 14.079 19.691 8.574 1.00 18.32 N ATOM 730 CA ARG A1562 14.579 21.003 8.956 1.00 17.01 C ATOM 731 C ARG A1562 14.992 20.983 10.418 1.00 21.44 C ATOM 732 O ARG A1562 14.366 20.309 11.246 1.00 18.25 O ATOM 733 CB ARG A1562 13.541 22.096 8.666 1.00 24.62 C ATOM 734 CG ARG A1562 12.402 22.149 9.639 1.00 27.57 C ATOM 735 CD ARG A1562 11.344 23.172 9.202 1.00 34.85 C ATOM 736 NE ARG A1562 11.898 24.511 9.012 1.00 34.95 N ATOM 737 CZ ARG A1562 11.939 25.440 9.962 1.00 47.03 C ATOM 738 NH1 ARG A1562 11.469 25.178 11.177 1.00 50.57 N ATOM 739 NH2 ARG A1562 12.455 26.631 9.705 1.00 49.04 N ATOM 740 HE ARG A1562 12.284 24.752 8.077 1.00 0.00 H ATOM 741 HH12 ARG A1562 11.503 25.908 11.917 1.00 0.00 H ATOM 742 HH11 ARG A1562 11.067 24.243 11.388 1.00 0.00 H ATOM 743 HH22 ARG A1562 12.486 27.356 10.450 1.00 0.00 H ATOM 744 HH21 ARG A1562 12.830 26.842 8.758 1.00 0.00 H ATOM 745 H ARG A1562 13.660 19.061 9.288 1.00 0.00 H ATOM 746 N LYS A1563 16.069 21.691 10.725 1.00 19.80 N ATOM 747 CA LYS A1563 16.551 21.787 12.095 1.00 25.76 C ATOM 748 C LYS A1563 16.213 23.175 12.625 1.00 32.52 C ATOM 749 O LYS A1563 16.477 24.176 11.958 1.00 28.94 O ATOM 750 CB LYS A1563 18.060 21.583 12.123 1.00 27.05 C ATOM 751 CG LYS A1563 18.514 20.137 12.187 1.00 33.99 C ATOM 752 CD LYS A1563 18.423 19.597 13.606 1.00 37.10 C ATOM 753 CE LYS A1563 19.788 19.169 14.142 1.00 40.47 C ATOM 754 NZ LYS A1563 20.718 20.311 14.385 1.00 44.61 N ATOM 755 HZ1 LYS A1563 20.879 20.821 13.493 1.00 0.00 H ATOM 756 HZ2 LYS A1563 20.297 20.956 15.084 1.00 0.00 H ATOM 757 HZ3 LYS A1563 21.623 19.948 14.747 1.00 0.00 H ATOM 758 H LYS A1563 16.582 22.190 9.970 1.00 0.00 H ATOM 759 N GLU A1564 15.605 23.249 13.804 1.00 30.19 N ATOM 760 CA GLU A1564 15.371 24.550 14.419 1.00 30.90 C ATOM 761 C GLU A1564 15.521 24.462 15.927 1.00 35.40 C ATOM 762 O GLU A1564 14.876 23.632 16.568 1.00 28.81 O ATOM 763 CB GLU A1564 13.998 25.090 14.051 1.00 37.03 C ATOM 764 CG GLU A1564 13.748 26.474 14.604 1.00 50.41 C ATOM 765 CD GLU A1564 12.883 27.318 13.695 1.00 55.70 C ATOM 766 OE1 GLU A1564 12.928 27.110 12.458 1.00 53.40 O ATOM 767 OE2 GLU A1564 12.162 28.193 14.222 1.00 60.65 O ATOM 768 H GLU A1564 15.297 22.381 14.287 1.00 0.00 H ATOM 769 N SER A1565 16.394 25.305 16.473 1.00 36.40 N ATOM 770 CA SER A1565 16.678 25.323 17.905 1.00 36.86 C ATOM 771 C SER A1565 17.149 23.957 18.395 1.00 35.84 C ATOM 772 O SER A1565 16.792 23.526 19.488 1.00 33.40 O ATOM 773 CB SER A1565 15.446 25.777 18.695 1.00 38.30 C ATOM 774 OG SER A1565 15.001 27.049 18.252 1.00 46.65 O ATOM 775 HG SER A1565 14.206 27.320 18.776 1.00 0.00 H ATOM 776 H SER A1565 16.893 25.977 15.856 1.00 0.00 H ATOM 777 N GLY A1566 17.933 23.270 17.567 1.00 33.51 N ATOM 778 CA GLY A1566 18.497 21.988 17.948 1.00 36.05 C ATOM 779 C GLY A1566 17.519 20.830 17.859 1.00 32.82 C ATOM 780 O GLY A1566 17.800 19.734 18.340 1.00 36.34 O ATOM 781 H GLY A1566 18.146 23.660 16.627 1.00 0.00 H ATOM 782 N GLU A1567 16.370 21.071 17.237 1.00 27.40 N ATOM 783 CA GLU A1567 15.342 20.047 17.109 1.00 25.69 C ATOM 784 C GLU A1567 15.061 19.759 15.646 1.00 25.50 C ATOM 785 O GLU A1567 15.016 20.680 14.837 1.00 21.78 O ATOM 786 CB GLU A1567 14.054 20.538 17.755 1.00 26.28 C ATOM 787 CG GLU A1567 14.211 20.916 19.212 1.00 34.96 C ATOM 788 CD GLU A1567 13.558 19.915 20.128 1.00 43.79 C ATOM 789 OE1 GLU A1567 13.327 20.254 21.307 1.00 52.17 O ATOM 790 OE2 GLU A1567 13.271 18.789 19.664 1.00 42.08 O ATOM 791 H GLU A1567 16.200 22.014 16.832 1.00 0.00 H ATOM 792 N LEU A1568 14.821 18.489 15.326 1.00 17.74 N ATOM 793 CA LEU A1568 14.536 18.070 13.954 1.00 14.48 C ATOM 794 C LEU A1568 13.041 17.976 13.707 1.00 13.20 C ATOM 795 O LEU A1568 12.288 17.482 14.560 1.00 15.52 O ATOM 796 CB LEU A1568 15.138 16.690 13.675 1.00 15.85 C ATOM 797 CG LEU A1568 14.902 16.186 12.246 1.00 17.81 C ATOM 798 CD1 LEU A1568 15.679 17.032 11.236 1.00 23.16 C ATOM 799 CD2 LEU A1568 15.249 14.714 12.099 1.00 19.33 C ATOM 800 H LEU A1568 14.837 17.770 16.077 1.00 0.00 H ATOM 801 N TYR A1569 12.627 18.438 12.531 1.00 13.13 N ATOM 802 CA TYR A1569 11.249 18.317 12.059 1.00 14.06 C ATOM 803 C TYR A1569 11.242 17.653 10.692 1.00 14.66 C ATOM 804 O TYR A1569 12.184 17.831 9.898 1.00 15.27 O ATOM 805 CB TYR A1569 10.597 19.698 11.969 1.00 14.08 C ATOM 806 CG TYR A1569 10.558 20.359 13.313 1.00 19.59 C ATOM 807 CD1 TYR A1569 9.462 20.199 14.150 1.00 22.42 C ATOM 808 CD2 TYR A1569 11.633 21.097 13.769 1.00 18.95 C ATOM 809 CE1 TYR A1569 9.433 20.785 15.402 1.00 26.07 C ATOM 810 CE2 TYR A1569 11.614 21.678 15.028 1.00 24.93 C ATOM 811 CZ TYR A1569 10.509 21.518 15.830 1.00 26.97 C ATOM 812 OH TYR A1569 10.481 22.100 17.079 1.00 33.37 O ATOM 813 HH TYR A1569 10.573 23.081 16.987 1.00 0.00 H ATOM 814 H TYR A1569 13.320 18.910 11.915 1.00 0.00 H ATOM 815 N TYR A1570 10.189 16.884 10.429 1.00 13.13 N ATOM 816 CA TYR A1570 10.044 16.199 9.149 1.00 11.37 C ATOM 817 C TYR A1570 8.883 16.788 8.374 1.00 14.48 C ATOM 818 O TYR A1570 7.820 17.044 8.943 1.00 14.12 O ATOM 819 CB TYR A1570 9.736 14.703 9.354 1.00 10.60 C ATOM 820 CG TYR A1570 10.901 13.848 9.805 1.00 13.39 C ATOM 821 CD1 TYR A1570 11.863 13.407 8.897 1.00 14.87 C ATOM 822 CD2 TYR A1570 11.031 13.464 11.138 1.00 15.16 C ATOM 823 CE1 TYR A1570 12.924 12.613 9.310 1.00 14.76 C ATOM 824 CE2 TYR A1570 12.095 12.670 11.562 1.00 13.49 C ATOM 825 CZ TYR A1570 13.032 12.255 10.646 1.00 13.86 C ATOM 826 OH TYR A1570 14.069 11.461 11.077 1.00 13.80 O ATOM 827 HH TYR A1570 13.705 10.625 11.462 1.00 0.00 H ATOM 828 H TYR A1570 9.451 16.768 11.153 1.00 0.00 H ATOM 829 N SER A1571 9.073 16.964 7.070 1.00 13.30 N ATOM 830 CA SER A1571 7.957 17.272 6.183 1.00 14.21 C ATOM 831 C SER A1571 7.424 15.954 5.632 1.00 14.63 C ATOM 832 O SER A1571 8.157 15.216 4.965 1.00 15.00 O ATOM 833 CB SER A1571 8.406 18.183 5.032 1.00 14.19 C ATOM 834 OG SER A1571 7.315 18.468 4.171 1.00 17.81 O ATOM 835 HG SER A1571 7.621 19.056 3.435 1.00 0.00 H ATOM 836 H SER A1571 10.032 16.881 6.676 1.00 0.00 H ATOM 837 N ILE A1572 6.156 15.651 5.922 1.00 12.02 N ATOM 838 CA ILE A1572 5.560 14.384 5.527 1.00 11.13 C ATOM 839 C ILE A1572 4.497 14.634 4.475 1.00 18.91 C ATOM 840 O ILE A1572 3.619 15.470 4.660 1.00 14.95 O ATOM 841 CB ILE A1572 4.910 13.655 6.737 1.00 11.70 C ATOM 842 CG1 ILE A1572 5.945 13.408 7.846 1.00 13.16 C ATOM 843 CG2 ILE A1572 4.300 12.323 6.310 1.00 12.82 C ATOM 844 CD1 ILE A1572 7.180 12.659 7.358 1.00 12.78 C ATOM 845 H ILE A1572 5.579 16.340 6.445 1.00 0.00 H ATOM 846 N GLU A1573 4.573 13.908 3.368 1.00 15.26 N ATOM 847 CA GLU A1573 3.603 14.096 2.297 1.00 14.46 C ATOM 848 C GLU A1573 2.576 12.973 2.302 1.00 17.23 C ATOM 849 O GLU A1573 2.926 11.796 2.445 1.00 16.97 O ATOM 850 CB GLU A1573 4.313 14.163 0.941 1.00 18.04 C ATOM 851 CG GLU A1573 3.356 14.346 -0.239 1.00 17.63 C ATOM 852 CD GLU A1573 4.093 14.572 -1.544 1.00 25.52 C ATOM 853 OE1 GLU A1573 4.710 15.649 -1.703 1.00 22.68 O ATOM 854 OE2 GLU A1573 4.058 13.671 -2.403 1.00 28.00 O ATOM 855 H GLU A1573 5.329 13.201 3.264 1.00 0.00 H ATOM 856 N LYS A1574 1.307 13.348 2.155 1.00 15.57 N ATOM 857 CA LYS A1574 0.194 12.407 2.151 1.00 16.81 C ATOM 858 C LYS A1574 -0.839 12.953 1.181 1.00 22.47 C ATOM 859 O LYS A1574 -1.260 14.099 1.320 1.00 17.86 O ATOM 860 CB LYS A1574 -0.418 12.287 3.555 1.00 21.76 C ATOM 861 CG LYS A1574 -1.629 11.353 3.629 1.00 28.13 C ATOM 862 CD LYS A1574 -2.188 11.223 5.053 1.00 27.47 C ATOM 863 CE LYS A1574 -2.689 12.555 5.602 1.00 27.51 C ATOM 864 NZ LYS A1574 -3.147 12.458 7.024 1.00 41.42 N ATOM 865 HZ1 LYS A1574 -3.926 11.772 7.090 1.00 0.00 H ATOM 866 HZ2 LYS A1574 -2.356 12.144 7.621 1.00 0.00 H ATOM 867 HZ3 LYS A1574 -3.476 13.391 7.345 1.00 0.00 H ATOM 868 H LYS A1574 1.100 14.360 2.037 1.00 0.00 H ATOM 869 N GLU A1575 -1.218 12.152 0.186 1.00 23.78 N ATOM 870 CA GLU A1575 -2.265 12.537 -0.775 1.00 28.22 C ATOM 871 C GLU A1575 -2.040 13.915 -1.403 1.00 26.60 C ATOM 872 O GLU A1575 -2.972 14.711 -1.507 1.00 28.49 O ATOM 873 CB GLU A1575 -3.652 12.481 -0.113 1.00 30.05 C ATOM 874 CG GLU A1575 -4.152 11.069 0.178 1.00 34.28 C ATOM 875 CD GLU A1575 -5.355 11.046 1.117 1.00 48.58 C ATOM 876 OE1 GLU A1575 -6.212 11.955 1.028 1.00 50.91 O ATOM 877 OE2 GLU A1575 -5.441 10.117 1.954 1.00 53.70 O ATOM 878 H GLU A1575 -0.759 11.224 0.085 1.00 0.00 H ATOM 879 N GLY A1576 -0.803 14.201 -1.794 1.00 23.47 N ATOM 880 CA GLY A1576 -0.501 15.432 -2.499 1.00 27.09 C ATOM 881 C GLY A1576 -0.265 16.659 -1.636 1.00 26.58 C ATOM 882 O GLY A1576 0.041 17.732 -2.157 1.00 27.50 O ATOM 883 H GLY A1576 -0.036 13.529 -1.591 1.00 0.00 H ATOM 884 N GLN A1577 -0.408 16.515 -0.323 1.00 20.53 N ATOM 885 CA GLN A1577 -0.191 17.639 0.581 1.00 19.77 C ATOM 886 C GLN A1577 0.878 17.300 1.621 1.00 18.83 C ATOM 887 O GLN A1577 1.220 16.135 1.797 1.00 17.63 O ATOM 888 CB GLN A1577 -1.494 17.991 1.289 1.00 22.38 C ATOM 889 CG GLN A1577 -2.580 18.515 0.367 1.00 24.89 C ATOM 890 CD GLN A1577 -3.623 19.277 1.145 1.00 31.95 C ATOM 891 OE1 GLN A1577 -4.506 18.679 1.753 1.00 38.46 O ATOM 892 NE2 GLN A1577 -3.500 20.607 1.171 1.00 30.55 N ATOM 893 HE22 GLN A1577 -2.735 21.069 0.639 1.00 0.00 H ATOM 894 HE21 GLN A1577 -4.169 21.180 1.723 1.00 0.00 H ATOM 895 H GLN A1577 -0.678 15.589 0.065 1.00 0.00 H ATOM 896 N ARG A1578 1.386 18.315 2.316 1.00 15.57 N ATOM 897 CA ARG A1578 2.464 18.107 3.287 1.00 15.25 C ATOM 898 C ARG A1578 2.176 18.738 4.640 1.00 19.11 C ATOM 899 O ARG A1578 1.393 19.692 4.747 1.00 17.82 O ATOM 900 CB ARG A1578 3.787 18.646 2.733 1.00 14.59 C ATOM 901 CG ARG A1578 4.257 17.917 1.471 1.00 13.62 C ATOM 902 CD ARG A1578 5.603 18.410 0.981 1.00 15.37 C ATOM 903 NE ARG A1578 6.006 17.722 -0.250 1.00 18.95 N ATOM 904 CZ ARG A1578 7.167 17.904 -0.877 1.00 18.02 C ATOM 905 NH1 ARG A1578 8.068 18.752 -0.391 1.00 15.75 N ATOM 906 NH2 ARG A1578 7.422 17.226 -1.988 1.00 16.51 N ATOM 907 HE ARG A1578 5.336 17.042 -0.664 1.00 0.00 H ATOM 908 HH12 ARG A1578 8.973 18.889 -0.885 1.00 0.00 H ATOM 909 HH11 ARG A1578 7.868 19.278 0.484 1.00 0.00 H ATOM 910 HH22 ARG A1578 8.326 17.362 -2.484 1.00 0.00 H ATOM 911 HH21 ARG A1578 6.718 16.559 -2.363 1.00 0.00 H ATOM 912 H ARG A1578 1.011 19.274 2.167 1.00 0.00 H ATOM 913 N LYS A1579 2.824 18.208 5.675 1.00 12.90 N ATOM 914 CA LYS A1579 2.694 18.755 7.016 1.00 14.14 C ATOM 915 C LYS A1579 4.006 18.539 7.753 1.00 17.62 C ATOM 916 O LYS A1579 4.646 17.496 7.576 1.00 15.31 O ATOM 917 CB LYS A1579 1.553 18.066 7.768 1.00 17.06 C ATOM 918 CG LYS A1579 1.421 18.505 9.221 1.00 16.25 C ATOM 919 CD LYS A1579 0.119 17.986 9.820 1.00 23.36 C ATOM 920 CE LYS A1579 0.052 18.232 11.327 1.00 28.72 C ATOM 921 NZ LYS A1579 -1.260 17.762 11.872 1.00 28.30 N ATOM 922 HZ1 LYS A1579 -2.033 18.281 11.408 1.00 0.00 H ATOM 923 HZ2 LYS A1579 -1.365 16.744 11.689 1.00 0.00 H ATOM 924 HZ3 LYS A1579 -1.291 17.936 12.897 1.00 0.00 H ATOM 925 H LYS A1579 3.438 17.383 5.521 1.00 0.00 H ATOM 926 N TRP A1580 4.422 19.531 8.540 1.00 15.69 N ATOM 927 CA TRP A1580 5.617 19.406 9.377 1.00 16.12 C ATOM 928 C TRP A1580 5.278 18.704 10.696 1.00 14.93 C ATOM 929 O TRP A1580 4.289 19.048 11.358 1.00 18.19 O ATOM 930 CB TRP A1580 6.245 20.786 9.655 1.00 17.86 C ATOM 931 CG TRP A1580 6.913 21.395 8.443 1.00 15.55 C ATOM 932 CD1 TRP A1580 6.385 22.338 7.604 1.00 20.55 C ATOM 933 CD2 TRP A1580 8.219 21.083 7.925 1.00 18.05 C ATOM 934 NE1 TRP A1580 7.290 22.638 6.600 1.00 18.32 N ATOM 935 CE2 TRP A1580 8.421 21.883 6.781 1.00 20.21 C ATOM 936 CE3 TRP A1580 9.240 20.212 8.329 1.00 17.75 C ATOM 937 CZ2 TRP A1580 9.601 21.831 6.028 1.00 20.72 C ATOM 938 CZ3 TRP A1580 10.413 20.163 7.582 1.00 18.47 C ATOM 939 CH2 TRP A1580 10.587 20.972 6.449 1.00 19.29 C ATOM 940 HE1 TRP A1580 7.137 23.324 5.833 1.00 0.00 H ATOM 941 H TRP A1580 3.882 20.420 8.560 1.00 0.00 H ATOM 942 N TYR A1581 6.099 17.725 11.067 1.00 15.51 N ATOM 943 CA TYR A1581 5.904 16.980 12.305 1.00 15.46 C ATOM 944 C TYR A1581 7.195 16.977 13.096 1.00 15.64 C ATOM 945 O TYR A1581 8.282 16.887 12.522 1.00 15.12 O ATOM 946 CB TYR A1581 5.569 15.523 12.000 1.00 13.90 C ATOM 947 CG TYR A1581 4.183 15.236 11.491 1.00 16.78 C ATOM 948 CD1 TYR A1581 3.158 14.868 12.367 1.00 13.57 C ATOM 949 CD2 TYR A1581 3.902 15.267 10.135 1.00 15.69 C ATOM 950 CE1 TYR A1581 1.893 14.576 11.904 1.00 19.62 C ATOM 951 CE2 TYR A1581 2.620 14.981 9.668 1.00 14.32 C ATOM 952 CZ TYR A1581 1.637 14.628 10.553 1.00 18.59 C ATOM 953 OH TYR A1581 0.383 14.333 10.078 1.00 21.19 O ATOM 954 HH TYR A1581 -0.209 14.099 10.836 1.00 0.00 H ATOM 955 H TYR A1581 6.905 17.484 10.455 1.00 0.00 H ATOM 956 N LYS A1582 7.105 17.042 14.421 1.00 13.42 N ATOM 957 CA LYS A1582 8.319 16.896 15.212 1.00 14.15 C ATOM 958 C LYS A1582 8.909 15.488 15.047 1.00 13.37 C ATOM 959 O LYS A1582 8.177 14.534 14.751 1.00 13.03 O ATOM 960 CB LYS A1582 8.032 17.201 16.683 1.00 15.49 C ATOM 961 CG LYS A1582 7.047 16.283 17.316 1.00 21.53 C ATOM 962 CD LYS A1582 6.717 16.763 18.731 1.00 31.68 C ATOM 963 CE LYS A1582 5.805 15.757 19.441 1.00 37.36 C ATOM 964 NZ LYS A1582 5.560 16.144 20.864 1.00 42.55 N ATOM 965 HZ1 LYS A1582 6.466 16.182 21.373 1.00 0.00 H ATOM 966 HZ2 LYS A1582 5.105 17.079 20.894 1.00 0.00 H ATOM 967 HZ3 LYS A1582 4.939 15.440 21.311 1.00 0.00 H ATOM 968 H LYS A1582 6.186 17.194 14.883 1.00 0.00 H ATOM 969 N ARG A1583 10.227 15.370 15.219 1.00 13.81 N ATOM 970 CA ARG A1583 10.926 14.101 15.066 1.00 12.70 C ATOM 971 C ARG A1583 10.206 12.934 15.727 1.00 13.36 C ATOM 972 O ARG A1583 10.005 11.888 15.106 1.00 14.03 O ATOM 973 CB ARG A1583 12.332 14.204 15.672 1.00 14.63 C ATOM 974 CG ARG A1583 13.171 12.943 15.464 1.00 14.35 C ATOM 975 CD ARG A1583 14.372 12.939 16.403 1.00 16.95 C ATOM 976 NE ARG A1583 15.445 13.855 16.012 1.00 17.50 N ATOM 977 CZ ARG A1583 16.444 13.521 15.192 1.00 21.03 C ATOM 978 NH1 ARG A1583 16.478 12.321 14.629 1.00 19.32 N ATOM 979 NH2 ARG A1583 17.413 14.383 14.919 1.00 18.97 N ATOM 980 HE ARG A1583 15.428 14.822 16.395 1.00 0.00 H ATOM 981 HH12 ARG A1583 17.259 12.068 13.991 1.00 0.00 H ATOM 982 HH11 ARG A1583 15.723 11.633 14.825 1.00 0.00 H ATOM 983 HH22 ARG A1583 18.186 14.111 14.279 1.00 0.00 H ATOM 984 HH21 ARG A1583 17.400 15.332 15.345 1.00 0.00 H ATOM 985 H ARG A1583 10.776 16.216 15.472 1.00 0.00 H ATOM 986 N MET A1584 9.805 13.099 16.981 1.00 12.89 N ATOM 987 CA MET A1584 9.308 11.936 17.709 1.00 15.51 C ATOM 988 C MET A1584 7.912 11.511 17.274 1.00 15.03 C ATOM 989 O MET A1584 7.448 10.455 17.692 1.00 14.95 O ATOM 990 CB MET A1584 9.367 12.146 19.227 1.00 15.26 C ATOM 991 CG MET A1584 8.361 13.115 19.756 1.00 18.36 C ATOM 992 SD MET A1584 8.677 13.432 21.511 1.00 24.01 S ATOM 993 CE MET A1584 8.208 11.858 22.198 1.00 19.08 C ATOM 994 H MET A1584 9.844 14.034 17.434 1.00 0.00 H ATOM 995 N ALA A1585 7.258 12.314 16.430 1.00 12.82 N ATOM 996 CA ALA A1585 5.930 11.964 15.926 1.00 15.19 C ATOM 997 C ALA A1585 5.992 11.158 14.627 1.00 14.81 C ATOM 998 O ALA A1585 4.959 10.724 14.112 1.00 14.54 O ATOM 999 CB ALA A1585 5.076 13.213 15.735 1.00 14.24 C ATOM 1000 H ALA A1585 7.701 13.204 16.126 1.00 0.00 H ATOM 1001 N VAL A1586 7.199 10.965 14.097 1.00 12.65 N ATOM 1002 CA VAL A1586 7.376 10.148 12.902 1.00 11.11 C ATOM 1003 C VAL A1586 7.898 8.776 13.302 1.00 13.59 C ATOM 1004 O VAL A1586 8.944 8.655 13.951 1.00 12.53 O ATOM 1005 CB VAL A1586 8.321 10.826 11.888 1.00 12.25 C ATOM 1006 CG1 VAL A1586 8.420 9.989 10.604 1.00 12.54 C ATOM 1007 CG2 VAL A1586 7.789 12.211 11.564 1.00 12.46 C ATOM 1008 H VAL A1586 8.029 11.405 14.543 1.00 0.00 H ATOM 1009 N ILE A1587 7.130 7.749 12.949 1.00 12.29 N ATOM 1010 CA ILE A1587 7.421 6.382 13.362 1.00 10.79 C ATOM 1011 C ILE A1587 7.365 5.459 12.142 1.00 12.97 C ATOM 1012 O ILE A1587 7.002 5.898 11.044 1.00 14.15 O ATOM 1013 CB ILE A1587 6.430 5.926 14.476 1.00 11.16 C ATOM 1014 CG1 ILE A1587 5.007 5.835 13.933 1.00 12.42 C ATOM 1015 CG2 ILE A1587 6.433 6.911 15.625 1.00 12.97 C ATOM 1016 CD1 ILE A1587 3.985 5.332 14.974 1.00 16.16 C ATOM 1017 H ILE A1587 6.293 7.928 12.358 1.00 0.00 H ATOM 1018 N LEU A1588 7.733 4.192 12.317 1.00 12.08 N ATOM 1019 CA LEU A1588 7.655 3.232 11.224 1.00 12.23 C ATOM 1020 C LEU A1588 6.833 2.033 11.664 1.00 15.88 C ATOM 1021 O LEU A1588 7.056 1.481 12.754 1.00 13.24 O ATOM 1022 CB LEU A1588 9.053 2.734 10.839 1.00 10.99 C ATOM 1023 CG LEU A1588 10.115 3.785 10.573 1.00 16.55 C ATOM 1024 CD1 LEU A1588 11.504 3.136 10.462 1.00 16.60 C ATOM 1025 CD2 LEU A1588 9.750 4.481 9.295 1.00 14.33 C ATOM 1026 H LEU A1588 8.081 3.883 13.247 1.00 0.00 H ATOM 1027 N SER A1589 5.883 1.618 10.829 1.00 13.69 N ATOM 1028 CA SER A1589 5.193 0.356 11.083 1.00 14.71 C ATOM 1029 C SER A1589 6.192 -0.789 10.935 1.00 15.96 C ATOM 1030 O SER A1589 7.320 -0.582 10.493 1.00 16.18 O ATOM 1031 CB SER A1589 4.060 0.152 10.087 1.00 17.82 C ATOM 1032 OG SER A1589 4.581 0.008 8.775 1.00 15.21 O ATOM 1033 HG SER A1589 3.835 -0.124 8.138 1.00 0.00 H ATOM 1034 H SER A1589 5.633 2.191 9.998 1.00 0.00 H ATOM 1035 N LEU A1590 5.777 -2.000 11.294 1.00 18.09 N ATOM 1036 CA LEU A1590 6.659 -3.155 11.142 1.00 17.64 C ATOM 1037 C LEU A1590 7.110 -3.312 9.689 1.00 17.21 C ATOM 1038 O LEU A1590 8.295 -3.506 9.420 1.00 20.25 O ATOM 1039 CB LEU A1590 5.952 -4.429 11.630 1.00 19.14 C ATOM 1040 CG LEU A1590 6.724 -5.732 11.434 1.00 23.27 C ATOM 1041 CD1 LEU A1590 8.102 -5.673 12.099 1.00 26.05 C ATOM 1042 CD2 LEU A1590 5.907 -6.890 11.984 1.00 26.43 C ATOM 1043 H LEU A1590 4.821 -2.126 11.684 1.00 0.00 H ATOM 1044 N GLU A1591 6.164 -3.218 8.757 1.00 15.58 N ATOM 1045 CA GLU A1591 6.470 -3.328 7.339 1.00 19.85 C ATOM 1046 C GLU A1591 7.396 -2.203 6.901 1.00 18.40 C ATOM 1047 O GLU A1591 8.330 -2.401 6.115 1.00 16.59 O ATOM 1048 CB GLU A1591 5.162 -3.300 6.534 1.00 21.20 C ATOM 1049 CG GLU A1591 5.319 -3.375 5.011 1.00 29.46 C ATOM 1050 CD GLU A1591 3.972 -3.330 4.272 1.00 42.26 C ATOM 1051 OE1 GLU A1591 2.915 -3.365 4.941 1.00 48.26 O ATOM 1052 OE2 GLU A1591 3.973 -3.262 3.022 1.00 47.68 O ATOM 1053 H GLU A1591 5.179 -3.062 9.051 1.00 0.00 H ATOM 1054 N GLN A1592 7.153 -1.006 7.418 1.00 15.07 N ATOM 1055 CA GLN A1592 7.972 0.125 6.996 1.00 14.91 C ATOM 1056 C GLN A1592 9.391 0.019 7.553 1.00 12.98 C ATOM 1057 O GLN A1592 10.354 0.375 6.877 1.00 16.23 O ATOM 1058 CB GLN A1592 7.309 1.442 7.411 1.00 13.69 C ATOM 1059 CG GLN A1592 6.019 1.723 6.637 1.00 13.50 C ATOM 1060 CD GLN A1592 5.225 2.880 7.209 1.00 13.83 C ATOM 1061 OE1 GLN A1592 5.378 3.238 8.376 1.00 13.90 O ATOM 1062 NE2 GLN A1592 4.362 3.470 6.386 1.00 16.70 N ATOM 1063 HE22 GLN A1592 4.265 3.134 5.406 1.00 0.00 H ATOM 1064 HE21 GLN A1592 3.784 4.267 6.722 1.00 0.00 H ATOM 1065 H GLN A1592 6.391 -0.876 8.113 1.00 0.00 H ATOM 1066 N GLY A1593 9.519 -0.466 8.783 1.00 15.42 N ATOM 1067 CA GLY A1593 10.829 -0.621 9.379 1.00 13.80 C ATOM 1068 C GLY A1593 11.580 -1.760 8.705 1.00 19.48 C ATOM 1069 O GLY A1593 12.802 -1.696 8.524 1.00 16.09 O ATOM 1070 H GLY A1593 8.672 -0.736 9.322 1.00 0.00 H ATOM 1071 N ASN A1594 10.850 -2.811 8.345 1.00 18.33 N ATOM 1072 CA ASN A1594 11.466 -3.956 7.672 1.00 20.64 C ATOM 1073 C ASN A1594 12.172 -3.553 6.387 1.00 22.85 C ATOM 1074 O ASN A1594 13.247 -4.081 6.089 1.00 20.51 O ATOM 1075 CB ASN A1594 10.441 -5.074 7.403 1.00 19.83 C ATOM 1076 CG ASN A1594 10.189 -5.932 8.621 1.00 26.12 C ATOM 1077 OD1 ASN A1594 10.984 -5.934 9.558 1.00 32.00 O ATOM 1078 ND2 ASN A1594 9.081 -6.669 8.619 1.00 24.86 N ATOM 1079 HD22 ASN A1594 8.436 -6.636 7.804 1.00 0.00 H ATOM 1080 HD21 ASN A1594 8.860 -7.278 9.433 1.00 0.00 H ATOM 1081 H ASN A1594 9.829 -2.820 8.544 1.00 0.00 H ATOM 1082 N ARG A1595 11.596 -2.602 5.648 1.00 17.46 N ATOM 1083 CA ARG A1595 12.204 -2.128 4.396 1.00 19.26 C ATOM 1084 C ARG A1595 13.570 -1.515 4.605 1.00 21.09 C ATOM 1085 O ARG A1595 14.390 -1.486 3.690 1.00 23.13 O ATOM 1086 CB ARG A1595 11.345 -1.052 3.722 1.00 20.92 C ATOM 1087 CG ARG A1595 10.092 -1.533 3.102 1.00 27.29 C ATOM 1088 CD ARG A1595 9.567 -0.489 2.120 1.00 26.37 C ATOM 1089 NE ARG A1595 8.248 -0.871 1.646 1.00 25.11 N ATOM 1090 CZ ARG A1595 7.120 -0.373 2.129 1.00 31.26 C ATOM 1091 NH1 ARG A1595 7.164 0.549 3.081 1.00 25.98 N ATOM 1092 NH2 ARG A1595 5.954 -0.786 1.656 1.00 34.82 N ATOM 1093 HE ARG A1595 8.186 -1.576 0.884 1.00 0.00 H ATOM 1094 HH12 ARG A1595 6.281 0.944 3.464 1.00 0.00 H ATOM 1095 HH11 ARG A1595 8.081 0.878 3.445 1.00 0.00 H ATOM 1096 HH22 ARG A1595 5.070 -0.393 2.037 1.00 0.00 H ATOM 1097 HH21 ARG A1595 5.923 -1.503 0.903 1.00 0.00 H ATOM 1098 H ARG A1595 10.697 -2.187 5.965 1.00 0.00 H ATOM 1099 N LEU A1596 13.804 -0.983 5.799 1.00 16.98 N ATOM 1100 CA LEU A1596 15.046 -0.284 6.068 1.00 15.18 C ATOM 1101 C LEU A1596 16.107 -1.165 6.753 1.00 19.42 C ATOM 1102 O LEU A1596 17.234 -0.723 6.925 1.00 18.34 O ATOM 1103 CB LEU A1596 14.784 0.944 6.942 1.00 15.65 C ATOM 1104 CG LEU A1596 14.024 2.105 6.320 1.00 21.10 C ATOM 1105 CD1 LEU A1596 13.927 3.273 7.285 1.00 20.61 C ATOM 1106 CD2 LEU A1596 14.692 2.557 5.051 1.00 27.39 C ATOM 1107 H LEU A1596 13.089 -1.069 6.549 1.00 0.00 H ATOM 1108 N ARG A1597 15.754 -2.391 7.138 1.00 19.26 N ATOM 1109 CA ARG A1597 16.660 -3.222 7.955 1.00 20.02 C ATOM 1110 C ARG A1597 17.984 -3.550 7.263 1.00 22.00 C ATOM 1111 O ARG A1597 19.052 -3.468 7.880 1.00 20.73 O ATOM 1112 CB ARG A1597 15.992 -4.538 8.375 1.00 23.00 C ATOM 1113 CG ARG A1597 15.105 -4.470 9.622 1.00 30.30 C ATOM 1114 CD ARG A1597 14.775 -5.884 10.159 1.00 33.57 C ATOM 1115 NE ARG A1597 13.371 -6.028 10.553 1.00 38.17 N ATOM 1116 CZ ARG A1597 12.928 -6.108 11.811 1.00 38.14 C ATOM 1117 NH1 ARG A1597 11.624 -6.247 12.053 1.00 34.56 N ATOM 1118 NH2 ARG A1597 13.777 -6.064 12.830 1.00 28.89 N ATOM 1119 HE ARG A1597 12.663 -6.071 9.793 1.00 0.00 H ATOM 1120 HH12 ARG A1597 11.281 -6.309 13.033 1.00 0.00 H ATOM 1121 HH11 ARG A1597 10.950 -6.293 11.262 1.00 0.00 H ATOM 1122 HH22 ARG A1597 13.422 -6.127 13.806 1.00 0.00 H ATOM 1123 HH21 ARG A1597 14.797 -5.966 12.653 1.00 0.00 H ATOM 1124 H ARG A1597 14.826 -2.768 6.859 1.00 0.00 H ATOM 1125 N GLU A1598 17.926 -3.940 5.992 1.00 26.39 N ATOM 1126 CA GLU A1598 19.161 -4.351 5.310 1.00 28.79 C ATOM 1127 C GLU A1598 20.176 -3.212 5.269 1.00 24.91 C ATOM 1128 O GLU A1598 21.370 -3.423 5.518 1.00 27.43 O ATOM 1129 CB GLU A1598 18.883 -4.929 3.908 1.00 32.32 C ATOM 1130 CG GLU A1598 18.581 -3.894 2.840 1.00 39.62 C ATOM 1131 CD GLU A1598 18.778 -4.409 1.421 1.00 51.75 C ATOM 1132 OE1 GLU A1598 19.656 -5.280 1.208 1.00 45.90 O ATOM 1133 OE2 GLU A1598 18.051 -3.925 0.522 1.00 52.98 O ATOM 1134 H GLU A1598 17.017 -3.954 5.487 1.00 0.00 H ATOM 1135 N GLN A1599 19.697 -1.994 5.029 1.00 20.01 N ATOM 1136 CA GLN A1599 20.578 -0.841 4.891 1.00 22.97 C ATOM 1137 C GLN A1599 20.958 -0.162 6.211 1.00 25.29 C ATOM 1138 O GLN A1599 22.053 0.393 6.323 1.00 23.30 O ATOM 1139 CB GLN A1599 19.943 0.182 3.949 1.00 26.48 C ATOM 1140 CG GLN A1599 20.932 1.133 3.303 1.00 38.41 C ATOM 1141 CD GLN A1599 20.378 1.770 2.037 1.00 46.83 C ATOM 1142 OE1 GLN A1599 19.181 2.052 1.941 1.00 52.65 O ATOM 1143 NE2 GLN A1599 21.247 1.992 1.056 1.00 54.85 N ATOM 1144 HE22 GLN A1599 22.248 1.738 1.181 1.00 0.00 H ATOM 1145 HE21 GLN A1599 20.926 2.419 0.164 1.00 0.00 H ATOM 1146 H GLN A1599 18.670 -1.862 4.938 1.00 0.00 H ATOM 1147 N TYR A1600 20.072 -0.213 7.208 1.00 20.12 N ATOM 1148 CA TYR A1600 20.273 0.563 8.431 1.00 17.08 C ATOM 1149 C TYR A1600 20.240 -0.249 9.726 1.00 16.43 C ATOM 1150 O TYR A1600 20.591 0.271 10.783 1.00 17.37 O ATOM 1151 CB TYR A1600 19.233 1.686 8.531 1.00 15.73 C ATOM 1152 CG TYR A1600 19.354 2.723 7.442 1.00 21.07 C ATOM 1153 CD1 TYR A1600 20.243 3.781 7.567 1.00 25.44 C ATOM 1154 CD2 TYR A1600 18.582 2.643 6.289 1.00 23.08 C ATOM 1155 CE1 TYR A1600 20.370 4.735 6.578 1.00 26.46 C ATOM 1156 CE2 TYR A1600 18.705 3.600 5.287 1.00 27.19 C ATOM 1157 CZ TYR A1600 19.606 4.642 5.441 1.00 30.31 C ATOM 1158 OH TYR A1600 19.746 5.605 4.461 1.00 32.27 O ATOM 1159 HH TYR A1600 20.429 6.264 4.743 1.00 0.00 H ATOM 1160 H TYR A1600 19.227 -0.813 7.114 1.00 0.00 H ATOM 1161 N GLY A1601 19.821 -1.504 9.644 1.00 17.04 N ATOM 1162 CA GLY A1601 19.640 -2.321 10.837 1.00 16.90 C ATOM 1163 C GLY A1601 20.950 -2.698 11.492 1.00 21.36 C ATOM 1164 O GLY A1601 21.966 -2.793 10.822 1.00 19.01 O ATOM 1165 H GLY A1601 19.617 -1.914 8.710 1.00 0.00 H ATOM 1166 N LEU A1602 20.938 -2.898 12.802 1.00 17.98 N ATOM 1167 CA LEU A1602 22.156 -3.298 13.500 1.00 19.96 C ATOM 1168 C LEU A1602 22.152 -4.774 13.831 1.00 23.02 C ATOM 1169 O LEU A1602 22.804 -5.197 14.791 1.00 25.67 O ATOM 1170 CB LEU A1602 22.327 -2.491 14.782 1.00 20.93 C ATOM 1171 CG LEU A1602 22.584 -1.003 14.576 1.00 23.91 C ATOM 1172 CD1 LEU A1602 22.871 -0.324 15.912 1.00 25.10 C ATOM 1173 CD2 LEU A1602 23.733 -0.779 13.589 1.00 26.58 C ATOM 1174 H LEU A1602 20.055 -2.769 13.336 1.00 0.00 H ATOM 1175 N GLY A1603 21.414 -5.553 13.048 1.00 19.71 N ATOM 1176 CA GLY A1603 21.352 -6.991 13.235 1.00 23.93 C ATOM 1177 C GLY A1603 20.421 -7.626 12.227 1.00 27.95 C ATOM 1178 O GLY A1603 20.223 -8.844 12.220 1.00 32.38 O ATOM 1179 OXT GLY A1603 19.829 -6.924 11.401 1.00 30.96 O ATOM 1180 H GLY A1603 20.865 -5.120 12.279 1.00 0.00 H TER 1181 GLY A1603 HETATM 1182 O HOH 1 23.920 -6.405 16.516 1.00 34.23 O HETATM 1183 O HOH 2 8.156 12.121 28.121 1.00 29.59 O HETATM 1184 O HOH 3 20.560 -10.208 14.380 1.00 31.52 O HETATM 1185 O HOH 4 -1.864 14.831 11.294 1.00 35.61 O HETATM 1186 O HOH 5 22.412 -8.331 27.212 1.00 30.73 O HETATM 1187 O HOH 6 4.207 2.080 3.652 1.00 30.35 O HETATM 1188 O HOH 7 17.689 -4.250 31.497 1.00 40.71 O HETATM 1189 O HOH 8 1.011 3.175 8.825 1.00 26.96 O HETATM 1190 O HOH 9 -5.268 10.923 6.615 1.00 43.42 O HETATM 1191 O HOH 10 0.514 1.061 10.033 1.00 31.97 O HETATM 1192 O HOH 11 -1.335 11.580 11.199 1.00 30.26 O HETATM 1193 O HOH 12 14.376 5.255 2.397 1.00 24.16 O HETATM 1194 O HOH 13 2.862 18.783 13.622 1.00 31.20 O HETATM 1195 O HOH 14 14.388 6.716 0.333 1.00 34.97 O HETATM 1196 O HOH 15 2.300 5.322 19.789 1.00 28.77 O HETATM 1197 O HOH 16 8.399 -4.437 4.335 1.00 26.67 O HETATM 1198 O HOH 17 -1.349 -1.258 13.201 1.00 36.44 O HETATM 1199 O HOH 18 25.559 -5.381 22.300 1.00 21.89 O HETATM 1200 O HOH 19 -0.255 18.315 -4.787 1.00 44.09 O HETATM 1201 O HOH 20 -12.462 8.078 15.189 1.00 43.88 O HETATM 1202 O HOH 21 -11.516 11.761 17.885 1.00 35.10 O HETATM 1203 O HOH 22 2.336 19.269 -2.255 1.00 37.37 O HETATM 1204 O HOH 23 28.299 -1.753 19.775 1.00 29.25 O HETATM 1205 O HOH 24 12.384 24.166 17.670 1.00 43.03 O HETATM 1206 O HOH 25 16.750 8.966 -0.048 1.00 35.09 O HETATM 1207 O HOH 26 -2.733 6.331 6.040 1.00 31.22 O HETATM 1208 O HOH 27 2.533 21.208 11.481 1.00 30.05 O HETATM 1209 O HOH 28 26.376 -2.845 29.881 1.00 36.48 O HETATM 1210 O HOH 29 24.504 -0.986 6.350 1.00 33.99 O HETATM 1211 O HOH 30 -4.780 10.608 25.111 1.00 31.48 O HETATM 1212 O HOH 31 20.549 -5.554 9.035 1.00 30.58 O HETATM 1213 O HOH 32 10.625 19.551 19.052 1.00 33.78 O HETATM 1214 O HOH 33 12.845 27.578 7.072 1.00 43.64 O HETATM 1215 O HOH 34 31.481 0.180 15.278 1.00 38.16 O HETATM 1216 O HOH 35 10.216 3.315 2.381 1.00 23.10 O HETATM 1217 O HOH 36 30.777 0.982 21.473 1.00 19.14 O HETATM 1218 O HOH 37 -2.119 8.079 4.027 1.00 39.25 O HETATM 1219 O HOH 38 22.813 -3.365 8.011 1.00 27.85 O HETATM 1220 O HOH 39 16.579 -0.345 31.713 1.00 37.58 O HETATM 1221 O HOH 40 16.634 0.777 2.509 1.00 37.61 O HETATM 1222 O HOH 41 7.437 24.123 4.088 1.00 23.83 O HETATM 1223 O HOH 42 -3.739 4.981 9.224 1.00 27.19 O HETATM 1224 O HOH 43 22.262 -8.084 17.544 1.00 30.64 O HETATM 1225 O HOH 44 14.262 8.824 31.094 1.00 33.74 O HETATM 1226 O HOH 45 19.846 -8.718 16.886 1.00 25.01 O HETATM 1227 O HOH 46 2.756 21.947 8.805 1.00 26.00 O HETATM 1228 O HOH 47 2.716 -3.983 14.226 1.00 35.55 O HETATM 1229 O HOH 48 29.474 0.607 19.922 1.00 22.44 O HETATM 1230 O HOH 49 14.296 -4.095 28.745 1.00 29.09 O HETATM 1231 O HOH 50 16.849 3.869 2.507 1.00 34.01 O HETATM 1232 O HOH 51 13.758 -7.046 6.326 1.00 39.64 O HETATM 1233 O HOH 52 11.721 3.918 31.508 1.00 27.26 O HETATM 1234 O HOH 53 0.333 -5.866 20.274 1.00 43.55 O HETATM 1235 O HOH 54 21.833 8.214 9.053 1.00 34.93 O HETATM 1236 O HOH 55 18.362 -7.184 -0.883 1.00 39.06 O HETATM 1237 O HOH 56 15.663 9.052 -2.478 1.00 42.04 O HETATM 1238 O HOH 57 8.337 20.789 19.074 1.00 40.45 O HETATM 1239 O HOH 58 26.564 -6.805 20.014 1.00 32.04 O HETATM 1240 O HOH 59 25.397 -11.093 19.327 1.00 39.70 O HETATM 1241 O HOH 60 12.204 4.939 -1.552 1.00 38.17 O HETATM 1242 O HOH 61 21.991 5.416 1.843 1.00 42.31 O HETATM 1243 O HOH 62 2.852 -6.327 17.829 1.00 40.03 O HETATM 1244 O HOH 63 23.009 -5.967 0.164 1.00 45.12 O HETATM 1245 O HOH 64 23.535 7.474 11.513 1.00 38.87 O HETATM 1246 O HOH 65 14.216 0.998 0.985 1.00 40.52 O HETATM 1247 O HOH 66 15.321 -5.810 2.137 1.00 41.27 O HETATM 1248 O HOH 67 15.560 -2.400 31.249 1.00 37.72 O HETATM 1249 O HOH 68 1.012 1.845 6.176 1.00 28.96 O HETATM 1250 O HOH 69 10.878 -5.646 3.582 1.00 30.90 O HETATM 1251 O HOH 70 5.672 8.959 21.534 1.00 34.47 O HETATM 1252 O HOH 71 -4.088 11.638 11.386 1.00 36.12 O HETATM 1253 O HOH 72 30.356 8.723 23.343 1.00 46.84 O HETATM 1254 O HOH 73 16.174 -7.381 5.722 1.00 41.89 O HETATM 1255 O HOH 74 24.432 4.184 0.797 1.00 41.79 O HETATM 1256 O HOH 75 23.408 4.406 3.745 1.00 41.08 O HETATM 1257 O HOH 76 7.575 13.330 25.745 1.00 36.78 O HETATM 1258 O HOH 77 12.671 3.221 1.482 1.00 37.38 O HETATM 1259 O HOH 78 10.578 15.388 18.623 1.00 15.22 O HETATM 1260 O HOH 79 14.101 10.418 13.500 1.00 14.33 O HETATM 1261 O HOH 80 11.553 9.892 14.045 1.00 13.12 O HETATM 1262 O HOH 81 9.316 8.477 16.694 1.00 14.74 O HETATM 1263 O HOH 82 16.305 9.362 16.743 1.00 17.95 O HETATM 1264 O HOH 83 9.494 2.257 4.750 1.00 18.10 O HETATM 1265 O HOH 84 4.430 17.179 15.434 1.00 18.48 O HETATM 1266 O HOH 85 9.955 8.105 21.368 1.00 18.54 O HETATM 1267 O HOH 86 11.759 17.633 17.278 1.00 18.98 O HETATM 1268 O HOH 87 16.553 9.323 13.905 1.00 16.15 O HETATM 1269 O HOH 88 16.178 9.967 23.025 1.00 17.20 O HETATM 1270 O HOH 89 22.986 10.482 15.610 1.00 23.19 O HETATM 1271 O HOH 90 12.689 14.194 19.784 1.00 24.10 O HETATM 1272 O HOH 91 15.545 16.334 17.087 1.00 23.54 O HETATM 1273 O HOH 92 2.235 15.253 16.005 1.00 24.43 O HETATM 1274 O HOH 93 22.832 7.900 14.105 1.00 22.77 O HETATM 1275 O HOH 94 17.800 11.773 2.882 1.00 21.11 O HETATM 1276 O HOH 95 19.143 12.090 4.653 1.00 32.91 O HETATM 1277 O HOH 96 7.685 8.848 20.159 1.00 20.02 O HETATM 1278 O HOH 97 15.524 -4.548 4.447 1.00 24.43 O HETATM 1279 O HOH 98 12.024 -4.100 20.548 1.00 24.99 O HETATM 1280 O HOH 99 17.974 16.574 16.555 1.00 27.57 O HETATM 1281 O HOH 100 13.433 -7.893 22.338 1.00 32.26 O HETATM 1282 O HOH 101 3.096 -2.495 12.465 1.00 26.49 O HETATM 1283 O HOH 102 23.029 12.543 9.900 1.00 37.31 O HETATM 1284 O HOH 103 2.880 -0.142 6.810 1.00 23.11 O HETATM 1285 O HOH 104 9.444 14.770 -4.820 1.00 32.09 O HETATM 1286 O HOH 105 14.214 -6.079 20.400 1.00 21.28 O HETATM 1287 O HOH 106 3.281 -3.479 9.335 1.00 23.79 O HETATM 1288 O HOH 107 6.526 -1.411 27.099 1.00 22.17 O HETATM 1289 O HOH 108 19.726 9.668 6.569 1.00 31.08 O HETATM 1290 O HOH 109 7.609 -6.654 5.903 1.00 32.06 O HETATM 1291 O HOH 110 20.888 7.936 5.164 1.00 40.22 O HETATM 1292 O HOH 111 9.233 -2.541 26.508 1.00 32.45 O HETATM 1293 O HOH 112 1.296 12.343 -2.213 1.00 29.62 O HETATM 1294 O HOH 113 19.230 23.968 14.939 1.00 36.45 O HETATM 1295 O HOH 114 19.639 14.549 11.800 1.00 27.30 O HETATM 1296 O HOH 115 10.651 -2.635 23.534 1.00 26.92 O HETATM 1297 O HOH 116 8.806 7.245 -1.760 1.00 27.54 O HETATM 1298 O HOH 117 16.218 12.003 24.960 1.00 36.68 O HETATM 1299 O HOH 118 4.214 17.930 -3.572 1.00 39.80 O HETATM 1300 O HOH 119 21.941 14.529 10.218 1.00 29.33 O HETATM 1301 O HOH 120 2.523 10.212 0.035 1.00 28.80 O HETATM 1302 O HOH 121 -0.471 9.382 -0.060 1.00 31.11 O HETATM 1303 O HOH 122 28.805 10.282 19.193 1.00 37.91 O HETATM 1304 O HOH 123 21.174 14.352 15.342 1.00 27.29 O HETATM 1305 O HOH 124 12.673 -4.652 23.630 1.00 29.55 O HETATM 1306 O HOH 125 4.512 11.118 -1.718 1.00 30.12 O HETATM 1307 O HOH 126 29.135 7.710 19.528 1.00 33.85 O HETATM 1308 O HOH 127 2.139 6.664 1.607 1.00 40.95 O HETATM 1309 O HOH 128 15.982 6.263 31.770 1.00 37.93 O HETATM 1310 O HOH 129 6.562 9.694 -3.188 1.00 35.58 O HETATM 1311 O HOH 130 23.698 11.602 18.113 1.00 33.15 O HETATM 1312 O HOH 131 29.976 6.636 15.576 1.00 39.95 O HETATM 1313 O HOH 132 1.055 2.675 3.744 1.00 38.20 O HETATM 1314 O HOH 133 23.113 13.304 12.636 1.00 35.40 O HETATM 1315 O HOH 134 11.718 -8.139 18.062 1.00 33.99 O HETATM 1316 O HOH 135 29.882 9.165 17.396 1.00 45.81 O HETATM 1317 O HOH 136 11.647 -7.186 23.734 1.00 42.86 O HETATM 1318 O HOH 137 10.262 -6.881 19.789 1.00 37.16 O HETATM 1319 O HOH 138 4.925 13.897 22.004 1.00 39.69 O HETATM 1320 O HOH 139 22.522 13.679 18.591 1.00 40.83 O HETATM 1321 O HOH 140 23.666 10.145 10.472 1.00 37.72 O HETATM 1322 O HOH 141 17.035 -1.442 3.470 1.00 29.07 O HETATM 1323 O HOH 142 20.510 16.173 13.650 1.00 41.05 O HETATM 1324 O HOH 143 9.837 16.897 20.875 1.00 34.04 O HETATM 1325 O HOH 144 4.761 -7.471 24.335 1.00 42.87 O HETATM 1326 O HOH 145 18.317 15.791 20.720 1.00 45.88 O HETATM 1327 O HOH 146 26.765 0.805 0.720 1.00 43.93 O HETATM 1328 O HOH 147 14.218 11.277 26.719 1.00 35.19 O HETATM 1329 O HOH 148 30.500 10.055 21.402 1.00 42.23 O HETATM 1330 O HOH 149 12.912 -9.556 12.595 1.00 41.62 O HETATM 1331 O HOH 150 4.684 11.747 19.625 1.00 36.90 O HETATM 1332 O HOH 151 0.598 17.072 14.886 1.00 38.38 O HETATM 1333 O HOH 152 14.602 16.305 19.426 1.00 38.18 O HETATM 1334 O HOH 153 2.624 13.303 18.400 1.00 40.60 O HETATM 1335 O HOH 154 7.437 15.489 -4.512 1.00 40.21 O HETATM 1336 O HOH 155 13.883 13.811 24.069 1.00 41.27 O HETATM 1337 O HOH 156 8.070 20.182 2.335 1.00 19.71 O HETATM 1338 O HOH 157 3.718 5.627 3.233 1.00 29.53 O HETATM 1339 O HOH 158 22.937 11.430 7.877 1.00 41.97 O HETATM 1340 O HOH 159 -0.574 -3.604 32.718 1.00 35.51 O HETATM 1341 O HOH 160 9.705 4.527 34.531 1.00 23.41 O HETATM 1342 O HOH 161 1.576 3.758 40.384 1.00 29.57 O HETATM 1343 O HOH 162 3.205 7.155 21.228 1.00 34.50 O HETATM 1344 O HOH 163 -0.522 -5.118 30.607 1.00 39.25 O HETATM 1345 O HOH 164 1.060 -0.383 42.332 1.00 47.50 O HETATM 1346 O HOH 165 4.139 -5.566 26.263 1.00 41.84 O HETATM 1347 O HOH 166 9.251 9.770 40.679 1.00 46.67 O HETATM 1348 O HOH 167 5.849 1.610 41.619 1.00 44.29 O HETATM 1349 N THR A 168 5.845 8.732 43.507 1.00 0.24 N HETATM 1350 CA THR A 168 6.794 8.025 42.646 1.00 0.09 C HETATM 1351 C THR A 168 6.199 7.712 41.272 1.00 0.23 C HETATM 1352 O THR A 168 5.255 6.925 41.149 1.00 -0.39 O HETATM 1353 N THR A 168 6.755 8.337 40.240 1.00 -0.26 N HETATM 1354 CA THR A 168 6.198 8.204 38.899 1.00 0.15 C HETATM 1355 C THR A 168 6.941 7.186 38.032 1.00 0.21 C HETATM 1356 O THR A 168 8.149 6.978 38.170 1.00 -0.39 O HETATM 1357 N THR A 168 6.201 6.552 37.132 1.00 -0.26 N HETATM 1358 CA THR A 168 6.763 5.572 36.220 1.00 0.13 C HETATM 1359 C THR A 168 6.326 5.887 34.785 1.00 0.20 C HETATM 1360 O THR A 168 5.269 6.484 34.559 1.00 -0.39 O HETATM 1361 N THR A 168 7.129 5.481 33.812 1.00 -0.26 N HETATM 1362 CA THR A 168 6.765 5.737 32.423 1.00 0.14 C HETATM 1363 C THR A 168 5.560 4.910 32.023 1.00 0.21 C HETATM 1364 O THR A 168 5.459 3.737 32.377 1.00 -0.39 O HETATM 1365 N THR A 168 4.648 5.518 31.268 1.00 -0.26 N HETATM 1366 CA THR A 168 3.439 4.851 30.918 1.00 0.13 C HETATM 1367 CB THR A 168 2.441 5.751 30.245 1.00 -0.01 C HETATM 1368 CG THR A 168 2.732 6.184 28.835 1.00 -0.05 C HETATM 1369 CD THR A 168 1.628 6.957 28.124 1.00 -0.03 C HETATM 1370 CE THR A 168 1.655 6.921 26.621 1.00 0.03 C HETATM 1371 NZ THR A 168 1.502 5.630 25.987 1.00 -0.29 N HETATM 1372 CH THR A 168 2.134 5.376 24.722 1.00 0.17 C HETATM 1373 OH THR A 168 2.815 6.237 24.158 1.00 -0.40 O HETATM 1374 CH3 THR A 168 1.953 4.016 24.083 1.00 0.03 C HETATM 1375 H35 THR A 168 1.320 3.389 24.728 1.00 0.05 H HETATM 1376 H36 THR A 168 2.935 3.537 23.956 1.00 0.05 H HETATM 1377 H37 THR A 168 1.472 4.133 23.101 1.00 0.05 H HETATM 1378 H38 THR A 168 0.958 4.916 26.428 1.00 0.18 H HETATM 1379 H39 THR A 168 0.840 7.565 26.260 1.00 0.05 H HETATM 1380 H40 THR A 168 2.621 7.336 26.298 1.00 0.05 H HETATM 1381 H41 THR A 168 0.663 6.543 28.452 1.00 0.03 H HETATM 1382 H42 THR A 168 1.701 8.009 28.436 1.00 0.03 H HETATM 1383 H43 THR A 168 3.627 6.823 28.859 1.00 0.03 H HETATM 1384 H44 THR A 168 2.943 5.281 28.244 1.00 0.03 H HETATM 1385 H45 THR A 168 1.476 5.222 30.234 1.00 0.03 H HETATM 1386 H46 THR A 168 2.354 6.661 30.857 1.00 0.03 H HETATM 1387 C THR A 168 3.689 3.609 30.105 1.00 0.20 C HETATM 1388 O THR A 168 2.852 2.678 30.146 1.00 -0.39 O HETATM 1389 N THR A 168 4.815 3.500 29.403 1.00 -0.26 N HETATM 1390 CA THR A 168 5.027 2.290 28.621 1.00 0.13 C HETATM 1391 CB THR A 168 6.142 2.407 27.575 1.00 -0.01 C HETATM 1392 CG THR A 168 6.174 3.711 26.765 1.00 -0.04 C HETATM 1393 CD THR A 168 5.661 3.861 25.363 1.00 -0.01 C HETATM 1394 CE THR A 168 6.594 3.578 24.197 1.00 -0.03 C HETATM 1395 NZ THR A 168 7.315 4.620 23.459 1.00 0.23 N HETATM 1396 CH1 THR A 168 6.661 4.925 22.190 1.00 -0.04 C HETATM 1397 H60 THR A 168 7.227 5.708 21.665 1.00 0.08 H HETATM 1398 H61 THR A 168 5.637 5.278 22.381 1.00 0.08 H HETATM 1399 H62 THR A 168 6.626 4.018 21.568 1.00 0.08 H HETATM 1400 CH2 THR A 168 8.573 4.001 23.161 1.00 -0.04 C HETATM 1401 H63 THR A 168 9.093 3.758 24.099 1.00 0.08 H HETATM 1402 H64 THR A 168 9.190 4.692 22.568 1.00 0.08 H HETATM 1403 H65 THR A 168 8.401 3.079 22.587 1.00 0.08 H HETATM 1404 H59 THR A 168 7.423 5.456 24.012 1.00 0.20 H HETATM 1405 H57 THR A 168 5.986 3.048 23.449 1.00 0.08 H HETATM 1406 H58 THR A 168 7.366 2.900 24.589 1.00 0.08 H HETATM 1407 H55 THR A 168 5.319 4.901 25.256 1.00 0.03 H HETATM 1408 H56 THR A 168 4.803 3.180 25.260 1.00 0.03 H HETATM 1409 H53 THR A 168 7.233 4.006 26.724 1.00 0.03 H HETATM 1410 H54 THR A 168 5.612 4.443 27.364 1.00 0.03 H HETATM 1411 H51 THR A 168 6.027 1.574 26.866 1.00 0.03 H HETATM 1412 H52 THR A 168 7.105 2.313 28.098 1.00 0.03 H HETATM 1413 C THR A 168 5.223 1.110 29.518 1.00 0.20 C HETATM 1414 O THR A 168 5.081 -0.027 29.080 1.00 -0.39 O HETATM 1415 N THR A 168 5.520 1.347 30.789 1.00 -0.26 N HETATM 1416 CA THR A 168 5.573 0.228 31.741 1.00 0.13 C HETATM 1417 C THR A 168 4.206 -0.403 31.984 1.00 0.20 C HETATM 1418 O THR A 168 4.130 -1.538 32.467 1.00 -0.39 O HETATM 1419 N THR A 168 3.137 0.315 31.634 1.00 -0.26 N HETATM 1420 CA THR A 168 1.773 -0.202 31.789 1.00 0.13 C HETATM 1421 C THR A 168 1.485 -1.396 30.873 1.00 0.20 C HETATM 1422 O THR A 168 0.533 -2.145 31.104 1.00 -0.39 O HETATM 1423 N THR A 168 2.311 -1.586 29.845 1.00 -0.26 N HETATM 1424 CA THR A 168 2.114 -2.679 28.883 1.00 0.14 C HETATM 1425 C THR A 168 2.963 -3.915 29.184 1.00 0.21 C HETATM 1426 O THR A 168 2.939 -4.892 28.432 1.00 -0.39 O HETATM 1427 N THR A 168 3.714 -3.862 30.276 1.00 -0.27 N HETATM 1428 CA THR A 168 4.548 -4.985 30.683 1.00 0.09 C HETATM 1429 C THR A 168 3.909 -5.743 31.840 1.00 0.06 C HETATM 1430 O THR A 168 2.961 -6.507 31.634 1.00 -0.57 O HETATM 1431 OXT THR A 168 4.336 -5.597 32.989 1.00 -0.57 O HETATM 1432 CB THR A 168 5.955 -4.506 31.047 1.00 -0.02 C HETATM 1433 CG THR A 168 6.795 -4.130 29.831 1.00 -0.04 C HETATM 1434 CD THR A 168 8.170 -3.610 30.233 1.00 -0.01 C HETATM 1435 CE THR A 168 8.943 -4.625 31.059 1.00 -0.04 C HETATM 1436 NZ THR A 168 9.869 -3.959 32.023 1.00 0.22 N HETATM 1437 H105 THR A 168 10.364 -4.660 32.552 1.00 0.20 H HETATM 1438 H106 THR A 168 9.338 -3.376 32.651 1.00 0.20 H HETATM 1439 H107 THR A 168 10.530 -3.392 31.516 1.00 0.20 H HETATM 1440 H103 THR A 168 9.531 -5.263 30.382 1.00 0.08 H HETATM 1441 H104 THR A 168 8.229 -5.246 31.620 1.00 0.08 H HETATM 1442 H101 THR A 168 8.043 -2.692 30.826 1.00 0.03 H HETATM 1443 H102 THR A 168 8.744 -3.382 29.323 1.00 0.03 H HETATM 1444 H99 THR A 168 6.270 -3.347 29.264 1.00 0.03 H HETATM 1445 H100 THR A 168 6.922 -5.020 29.197 1.00 0.03 H HETATM 1446 H97 THR A 168 6.469 -5.312 31.591 1.00 0.03 H HETATM 1447 H98 THR A 168 5.867 -3.623 31.697 1.00 0.03 H HETATM 1448 H96 THR A 168 4.633 -5.675 29.830 1.00 0.07 H HETATM 1449 H95 THR A 168 3.708 -3.032 30.833 1.00 0.19 H HETATM 1450 CB THR A 168 2.386 -2.201 27.452 1.00 0.02 C HETATM 1451 CG THR A 168 1.509 -1.071 27.017 1.00 -0.04 C HETATM 1452 CD1 THR A 168 0.330 -1.319 26.328 1.00 -0.06 C HETATM 1453 CE1 THR A 168 -0.480 -0.270 25.922 1.00 -0.07 C HETATM 1454 CZ THR A 168 -0.116 1.042 26.205 1.00 -0.07 C HETATM 1455 CE2 THR A 168 1.057 1.301 26.886 1.00 -0.07 C HETATM 1456 CD2 THR A 168 1.870 0.247 27.278 1.00 -0.06 C HETATM 1457 H91 THR A 168 2.800 0.454 27.795 1.00 0.06 H HETATM 1458 H93 THR A 168 1.341 2.322 27.113 1.00 0.06 H HETATM 1459 H94 THR A 168 -0.753 1.861 25.891 1.00 0.06 H HETATM 1460 H92 THR A 168 -1.399 -0.473 25.383 1.00 0.06 H HETATM 1461 H90 THR A 168 0.041 -2.340 26.106 1.00 0.06 H HETATM 1462 H88 THR A 168 2.227 -3.047 26.767 1.00 0.05 H HETATM 1463 H89 THR A 168 3.433 -1.871 27.390 1.00 0.05 H HETATM 1464 H87 THR A 168 1.058 -2.981 28.945 1.00 0.08 H HETATM 1465 H86 THR A 168 3.087 -0.967 29.725 1.00 0.19 H HETATM 1466 CB THR A 168 0.731 0.910 31.545 1.00 -0.00 C HETATM 1467 CG THR A 168 0.777 2.068 32.546 1.00 -0.00 C HETATM 1468 SD THR A 168 -0.091 3.574 31.995 1.00 -0.16 S HETATM 1469 CE THR A 168 -1.775 3.001 31.905 1.00 -0.02 C HETATM 1470 H83 THR A 168 -2.426 3.825 31.577 1.00 0.03 H HETATM 1471 H84 THR A 168 -2.097 2.652 32.897 1.00 0.03 H HETATM 1472 H85 THR A 168 -1.842 2.172 31.185 1.00 0.03 H HETATM 1473 H81 THR A 168 1.831 2.325 32.727 1.00 0.04 H HETATM 1474 H82 THR A 168 0.316 1.729 33.486 1.00 0.04 H HETATM 1475 H79 THR A 168 -0.270 0.457 31.593 1.00 0.03 H HETATM 1476 H80 THR A 168 0.899 1.321 30.539 1.00 0.03 H HETATM 1477 H78 THR A 168 1.667 -0.546 32.828 1.00 0.08 H HETATM 1478 H77 THR A 168 3.269 1.231 31.256 1.00 0.19 H HETATM 1479 CB THR A 168 6.205 0.645 33.070 1.00 -0.01 C HETATM 1480 CG THR A 168 7.712 0.905 33.008 1.00 -0.04 C HETATM 1481 CD1 THR A 168 8.238 1.397 34.345 1.00 -0.06 C HETATM 1482 H71 THR A 168 9.321 1.575 34.270 1.00 0.02 H HETATM 1483 H72 THR A 168 8.044 0.638 35.117 1.00 0.02 H HETATM 1484 H73 THR A 168 7.731 2.334 34.616 1.00 0.02 H HETATM 1485 CD2 THR A 168 8.440 -0.360 32.570 1.00 -0.06 C HETATM 1486 H74 THR A 168 8.042 -0.695 31.601 1.00 0.02 H HETATM 1487 H75 THR A 168 8.289 -1.149 33.322 1.00 0.02 H HETATM 1488 H76 THR A 168 9.515 -0.149 32.471 1.00 0.02 H HETATM 1489 H70 THR A 168 7.897 1.688 32.258 1.00 0.03 H HETATM 1490 H68 THR A 168 6.026 -0.157 33.801 1.00 0.03 H HETATM 1491 H69 THR A 168 5.712 1.568 33.409 1.00 0.03 H HETATM 1492 H67 THR A 168 6.217 -0.545 31.295 1.00 0.08 H HETATM 1493 H66 THR A 168 5.706 2.280 31.097 1.00 0.19 H HETATM 1494 H50 THR A 168 4.097 2.114 28.060 1.00 0.08 H HETATM 1495 H49 THR A 168 5.498 4.231 29.413 1.00 0.19 H HETATM 1496 H47 THR A 168 2.980 4.524 31.863 1.00 0.08 H HETATM 1497 H48 THR A 168 4.813 6.450 30.944 1.00 0.19 H HETATM 1498 CB THR A 168 7.923 5.434 31.474 1.00 0.01 C HETATM 1499 CG THR A 168 7.790 6.129 30.162 1.00 -0.00 C HETATM 1500 ND1 THR A 168 6.940 5.685 29.171 1.00 -0.33 N HETATM 1501 CE1 THR A 168 6.991 6.518 28.147 1.00 0.09 C HETATM 1502 NE2 THR A 168 7.850 7.482 28.434 1.00 -0.28 N HETATM 1503 CD2 THR A 168 8.357 7.265 29.693 1.00 0.03 C HETATM 1504 H32 THR A 168 9.080 7.890 30.215 1.00 0.07 H HETATM 1505 H34 THR A 168 8.098 8.267 27.815 1.00 0.24 H HETATM 1506 H33 THR A 168 6.422 6.426 27.223 1.00 0.12 H HETATM 1507 H30 THR A 168 7.957 4.349 31.295 1.00 0.04 H HETATM 1508 H31 THR A 168 8.861 5.757 31.949 1.00 0.04 H HETATM 1509 H29 THR A 168 6.507 6.802 32.327 1.00 0.08 H HETATM 1510 H28 THR A 168 7.980 5.002 34.029 1.00 0.19 H HETATM 1511 CB THR A 168 6.293 4.168 36.605 1.00 -0.01 C HETATM 1512 CG THR A 168 6.738 3.693 37.990 1.00 -0.02 C HETATM 1513 CD THR A 168 6.227 2.283 38.268 1.00 0.06 C HETATM 1514 NE THR A 168 4.936 2.279 38.957 1.00 -0.27 N HETATM 1515 CZ THR A 168 4.073 1.266 38.924 1.00 0.29 C HETATM 1516 NH1 THR A 168 4.353 0.177 38.219 1.00 -0.28 N HETATM 1517 H24 THR A 168 3.685 -0.606 38.194 1.00 0.26 H HETATM 1518 H25 THR A 168 5.239 0.115 37.697 1.00 0.26 H HETATM 1519 NH2 THR A 168 2.922 1.346 39.581 1.00 -0.28 N HETATM 1520 H26 THR A 168 2.700 2.189 40.130 1.00 0.26 H HETATM 1521 H27 THR A 168 2.251 0.565 39.542 1.00 0.26 H HETATM 1522 H23 THR A 168 4.678 3.114 39.503 1.00 0.26 H HETATM 1523 H21 THR A 168 6.963 1.759 38.895 1.00 0.07 H HETATM 1524 H22 THR A 168 6.117 1.753 37.311 1.00 0.07 H HETATM 1525 H19 THR A 168 6.338 4.378 38.752 1.00 0.03 H HETATM 1526 H20 THR A 168 7.837 3.694 38.036 1.00 0.03 H HETATM 1527 H17 THR A 168 6.685 3.461 35.860 1.00 0.03 H HETATM 1528 H18 THR A 168 5.193 4.157 36.578 1.00 0.03 H HETATM 1529 H16 THR A 168 7.861 5.613 36.280 1.00 0.08 H HETATM 1530 H15 THR A 168 5.223 6.756 37.080 1.00 0.19 H HETATM 1531 CB THR A 168 6.180 9.557 38.205 1.00 0.08 C HETATM 1532 OG THR A 168 7.496 10.025 38.006 1.00 -0.39 O HETATM 1533 H14 THR A 168 7.930 10.114 38.846 1.00 0.21 H HETATM 1534 H12 THR A 168 5.630 10.277 38.828 1.00 0.06 H HETATM 1535 H13 THR A 168 5.679 9.458 37.231 1.00 0.06 H HETATM 1536 H11 THR A 168 5.160 7.857 39.004 1.00 0.08 H HETATM 1537 H10 THR A 168 7.565 8.905 40.385 1.00 0.19 H HETATM 1538 CB THR A 168 7.317 6.727 43.312 1.00 0.11 C HETATM 1539 OG1 THR A 168 7.484 5.705 42.319 1.00 -0.38 O HETATM 1540 H6 THR A 168 6.648 5.530 41.902 1.00 0.21 H HETATM 1541 CG2 THR A 168 6.347 6.238 44.374 1.00 -0.03 C HETATM 1542 H7 THR A 168 6.738 5.318 44.832 1.00 0.03 H HETATM 1543 H8 THR A 168 5.371 6.031 43.911 1.00 0.03 H HETATM 1544 H9 THR A 168 6.230 7.011 45.148 1.00 0.03 H HETATM 1545 H5 THR A 168 8.289 6.935 43.783 1.00 0.07 H HETATM 1546 H4 THR A 168 7.655 8.691 42.492 1.00 0.11 H HETATM 1547 H1 THR A 168 5.528 9.568 43.042 1.00 0.20 H HETATM 1548 H2 THR A 168 6.297 8.980 44.373 1.00 0.20 H HETATM 1549 H3 THR A 168 5.056 8.135 43.699 1.00 0.20 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1349 1350 1547 1548 1549 CONECT 1350 1349 1351 1538 1546 CONECT 1351 1350 1352 1353 CONECT 1352 1351 CONECT 1353 1351 1354 1537 CONECT 1354 1353 1355 1531 1536 CONECT 1355 1354 1356 1357 CONECT 1356 1355 CONECT 1357 1355 1358 1530 CONECT 1358 1357 1359 1511 1529 CONECT 1359 1358 1360 1361 CONECT 1360 1359 CONECT 1361 1359 1362 1510 CONECT 1362 1361 1363 1498 1509 CONECT 1363 1362 1364 1365 CONECT 1364 1363 CONECT 1365 1363 1366 1497 CONECT 1366 1365 1367 1387 1496 CONECT 1367 1366 1368 1385 1386 CONECT 1368 1367 1369 1383 1384 CONECT 1369 1368 1370 1381 1382 CONECT 1370 1369 1371 1379 1380 CONECT 1371 1370 1372 1378 CONECT 1372 1371 1373 1374 CONECT 1373 1372 CONECT 1374 1372 1375 1376 1377 CONECT 1375 1374 CONECT 1376 1374 CONECT 1377 1374 CONECT 1378 1371 CONECT 1379 1370 CONECT 1380 1370 CONECT 1381 1369 CONECT 1382 1369 CONECT 1383 1368 CONECT 1384 1368 CONECT 1385 1367 CONECT 1386 1367 CONECT 1387 1366 1388 1389 CONECT 1388 1387 CONECT 1389 1387 1390 1495 CONECT 1390 1389 1391 1413 1494 CONECT 1391 1390 1392 1411 1412 CONECT 1392 1391 1393 1409 1410 CONECT 1393 1392 1394 1407 1408 CONECT 1394 1393 1395 1405 1406 CONECT 1395 1394 1396 1400 1404 CONECT 1396 1395 1397 1398 1399 CONECT 1397 1396 CONECT 1398 1396 CONECT 1399 1396 CONECT 1400 1395 1401 1402 1403 CONECT 1401 1400 CONECT 1402 1400 CONECT 1403 1400 CONECT 1404 1395 CONECT 1405 1394 CONECT 1406 1394 CONECT 1407 1393 CONECT 1408 1393 CONECT 1409 1392 CONECT 1410 1392 CONECT 1411 1391 CONECT 1412 1391 CONECT 1413 1390 1414 1415 CONECT 1414 1413 CONECT 1415 1413 1416 1493 CONECT 1416 1415 1417 1479 1492 CONECT 1417 1416 1418 1419 CONECT 1418 1417 CONECT 1419 1417 1420 1478 CONECT 1420 1419 1421 1466 1477 CONECT 1421 1420 1422 1423 CONECT 1422 1421 CONECT 1423 1421 1424 1465 CONECT 1424 1423 1425 1450 1464 CONECT 1425 1424 1426 1427 CONECT 1426 1425 CONECT 1427 1425 1428 1449 CONECT 1428 1427 1429 1432 1448 CONECT 1429 1428 1430 1431 CONECT 1430 1429 CONECT 1431 1429 CONECT 1432 1428 1433 1446 1447 CONECT 1433 1432 1434 1444 1445 CONECT 1434 1433 1435 1442 1443 CONECT 1435 1434 1436 1440 1441 CONECT 1436 1435 1437 1438 1439 CONECT 1437 1436 CONECT 1438 1436 CONECT 1439 1436 CONECT 1440 1435 CONECT 1441 1435 CONECT 1442 1434 CONECT 1443 1434 CONECT 1444 1433 CONECT 1445 1433 CONECT 1446 1432 CONECT 1447 1432 CONECT 1448 1428 CONECT 1449 1427 CONECT 1450 1424 1451 1462 1463 CONECT 1451 1450 1452 1456 CONECT 1452 1451 1453 1461 CONECT 1453 1452 1454 1460 CONECT 1454 1453 1455 1459 CONECT 1455 1454 1456 1458 CONECT 1456 1451 1455 1457 CONECT 1457 1456 CONECT 1458 1455 CONECT 1459 1454 CONECT 1460 1453 CONECT 1461 1452 CONECT 1462 1450 CONECT 1463 1450 CONECT 1464 1424 CONECT 1465 1423 CONECT 1466 1420 1467 1475 1476 CONECT 1467 1466 1468 1473 1474 CONECT 1468 1467 1469 CONECT 1469 1468 1470 1471 1472 CONECT 1470 1469 CONECT 1471 1469 CONECT 1472 1469 CONECT 1473 1467 CONECT 1474 1467 CONECT 1475 1466 CONECT 1476 1466 CONECT 1477 1420 CONECT 1478 1419 CONECT 1479 1416 1480 1490 1491 CONECT 1480 1479 1481 1485 1489 CONECT 1481 1480 1482 1483 1484 CONECT 1482 1481 CONECT 1483 1481 CONECT 1484 1481 CONECT 1485 1480 1486 1487 1488 CONECT 1486 1485 CONECT 1487 1485 CONECT 1488 1485 CONECT 1489 1480 CONECT 1490 1479 CONECT 1491 1479 CONECT 1492 1416 CONECT 1493 1415 CONECT 1494 1390 CONECT 1495 1389 CONECT 1496 1366 CONECT 1497 1365 CONECT 1498 1362 1499 1507 1508 CONECT 1499 1498 1500 1503 CONECT 1500 1499 1501 CONECT 1501 1500 1502 1506 CONECT 1502 1501 1503 1505 CONECT 1503 1499 1502 1504 CONECT 1504 1503 CONECT 1505 1502 CONECT 1506 1501 CONECT 1507 1498 CONECT 1508 1498 CONECT 1509 1362 CONECT 1510 1361 CONECT 1511 1358 1512 1527 1528 CONECT 1512 1511 1513 1525 1526 CONECT 1513 1512 1514 1523 1524 CONECT 1514 1513 1515 1522 CONECT 1515 1514 1516 1519 CONECT 1516 1515 1517 1518 CONECT 1517 1516 CONECT 1518 1516 CONECT 1519 1515 1520 1521 CONECT 1520 1519 CONECT 1521 1519 CONECT 1522 1514 CONECT 1523 1513 CONECT 1524 1513 CONECT 1525 1512 CONECT 1526 1512 CONECT 1527 1511 CONECT 1528 1511 CONECT 1529 1358 CONECT 1530 1357 CONECT 1531 1354 1532 1534 1535 CONECT 1532 1531 1533 CONECT 1533 1532 CONECT 1534 1531 CONECT 1535 1531 CONECT 1536 1354 CONECT 1537 1353 CONECT 1538 1350 1539 1541 1545 CONECT 1539 1538 1540 CONECT 1540 1539 CONECT 1541 1538 1542 1543 1544 CONECT 1542 1541 CONECT 1543 1541 CONECT 1544 1541 CONECT 1545 1538 CONECT 1546 1350 CONECT 1547 1349 CONECT 1548 1349 CONECT 1549 1349 MASTER 0 0 0 0 0 0 0 0 1548 1 205 10 END
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Related entries of code: 4x34
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PDB Code
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Protein Sequence Similarity
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PDBbind
123aa, >2IG0_1|Chain... at 97%
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PDBbind
123aa, >5Z78_2|Chain... at 97%
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PDBbind
123aa, >6CO2_2|Chains... at 97%
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
1aqc
RCSB PDB
PDBbind
10-mer
1awi
RCSB PDB
PDBbind
10-mer
1aze
RCSB PDB
PDBbind
10-mer
1bjr
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PDBbind
10-mer
1cka
RCSB PDB
PDBbind
10-mer
1ckb
RCSB PDB
PDBbind
10-mer
1eb1
RCSB PDB
PDBbind
10-mer
1gbq
RCSB PDB
PDBbind
10-mer
1gvu
RCSB PDB
PDBbind
10-mer
1him
RCSB PDB
PDBbind
10-mer
1jd5
RCSB PDB
PDBbind
10-mer
1jd6
RCSB PDB
PDBbind
10-mer
1jmq
RCSB PDB
PDBbind
10-mer
1pyw
RCSB PDB
PDBbind
10-mer
1vj6
RCSB PDB
PDBbind
10-mer
1vr1
RCSB PDB
PDBbind
10-mer
1y2a
RCSB PDB
PDBbind
10-mer
1ywi
RCSB PDB
PDBbind
10-mer
1yy6
RCSB PDB
PDBbind
10-mer
1zkk
RCSB PDB
PDBbind
10-mer
2a0t
RCSB PDB
PDBbind
10-mer
2aoh
RCSB PDB
PDBbind
10-mer
2aoj
RCSB PDB
PDBbind
10-mer
2axi
RCSB PDB
PDBbind
10-mer
2azm
RCSB PDB
PDBbind
10-mer
2b7f
RCSB PDB
PDBbind
10-mer
2c2l
RCSB PDB
PDBbind
10-mer
2gfa
RCSB PDB
PDBbind
10-mer
2h13
RCSB PDB
PDBbind
10-mer
2hrp
RCSB PDB
PDBbind
10-mer
2ig0
RCSB PDB
PDBbind
10-mer
2jmj
RCSB PDB
PDBbind
10-mer
2jqi
RCSB PDB
PDBbind
10-mer
2jql
RCSB PDB
PDBbind
10-mer
2k2r
RCSB PDB
PDBbind
10-mer
2ke1
RCSB PDB
PDBbind
10-mer
2mnz
RCSB PDB
PDBbind
10-mer
2nxd
RCSB PDB
PDBbind
10-mer
2nxl
RCSB PDB
PDBbind
10-mer
2nxm
RCSB PDB
PDBbind
10-mer
2o9v
RCSB PDB
PDBbind
10-mer
2peh
RCSB PDB
PDBbind
10-mer
2pr9
RCSB PDB
PDBbind
10-mer
2puy
RCSB PDB
PDBbind
10-mer
2qqs
RCSB PDB
PDBbind
10-mer
2r3y
RCSB PDB
PDBbind
10-mer
2r7g
RCSB PDB
PDBbind
10-mer
2rr4
RCSB PDB
PDBbind
10-mer
2v7d
RCSB PDB
PDBbind
10-mer
2vnf
RCSB PDB
PDBbind
10-mer
2w6t
RCSB PDB
PDBbind
10-mer
2w77
RCSB PDB
PDBbind
10-mer
2wa8
RCSB PDB
PDBbind
10-mer
2wp1
RCSB PDB
PDBbind
10-mer
2z5o
RCSB PDB
PDBbind
10-mer
3al3
RCSB PDB
PDBbind
10-mer
3bh8
RCSB PDB
PDBbind
10-mer
3bh9
RCSB PDB
PDBbind
10-mer
3bhb
RCSB PDB
PDBbind
10-mer
3c94
RCSB PDB
PDBbind
10-mer
3d1e
RCSB PDB
PDBbind
10-mer
3diw
RCSB PDB
PDBbind
10-mer
3dnj
RCSB PDB
PDBbind
10-mer
3dpc
RCSB PDB
PDBbind
10-mer
3dvp
RCSB PDB
PDBbind
10-mer
3ebb
RCSB PDB
PDBbind
10-mer
3er5
RCSB PDB
PDBbind
10-mer
3f9w
RCSB PDB
PDBbind
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3f9y
RCSB PDB
PDBbind
10-mer
3fe7
RCSB PDB
PDBbind
10-mer
3fea
RCSB PDB
PDBbind
10-mer
3gbq
RCSB PDB
PDBbind
10-mer
3gds
RCSB PDB
PDBbind
10-mer
3hg1
RCSB PDB
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3iqj
RCSB PDB
PDBbind
10-mer
3ivv
RCSB PDB
PDBbind
10-mer
3nkx
RCSB PDB
PDBbind
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3oq5
RCSB PDB
PDBbind
10-mer
3puj
RCSB PDB
PDBbind
10-mer
3puk
RCSB PDB
PDBbind
10-mer
3pxe
RCSB PDB
PDBbind
10-mer
3q8d
RCSB PDB
PDBbind
10-mer
3qzt
RCSB PDB
PDBbind
10-mer
3rwi
RCSB PDB
PDBbind
10-mer
3shv
RCSB PDB
PDBbind
10-mer
3szm
RCSB PDB
PDBbind
10-mer
3tkz
RCSB PDB
PDBbind
10-mer
3tl0
RCSB PDB
PDBbind
10-mer
3uii
RCSB PDB
PDBbind
10-mer
3uik
RCSB PDB
PDBbind
10-mer
3uvm
RCSB PDB
PDBbind
10-mer
3zmp
RCSB PDB
PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
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4e3b
RCSB PDB
PDBbind
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4e81
RCSB PDB
PDBbind
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4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
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4h39
RCSB PDB
PDBbind
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4h3b
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PDBbind
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4hcz
RCSB PDB
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4i2w
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PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
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4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
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4jff
RCSB PDB
PDBbind
10-mer
4jjq
RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
10-mer
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4k78
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
4x34
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Tumor suppressor p53-binding protein 1, tandem tudor domain
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=0.76uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Structure Vol. 23: pp. 322-331
Ligand Properties
Formula
C
6
1
H
1
0
8
N
1
8
O
1
4
S
Molecular Weight
1349.690
Exact Mass
1348.800
No. of atoms
202
No. of bonds
203
Polar Surface Area
548.47
LOGP Value
-1.31 (
Computed with XLOGP3
)
-3.10 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 16
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 59
No. of Nitrogen and Oxygen Atoms: 32
No. of Rings: 2
Canonical SMILES
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCC[NH3+])Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)[NH3+])CO)CCC[NH+]=C(N)N)CCCCNC(=O)C)CCCC[NH+](C)C)CC(C)C
InChI String
InChI=1S/C61H104N18O14S/c1-36(2)30-46(55(87)73-44(24-29-94-7)54(86)76-47(31-39-18-9-8-10-19-39)56(88)74-45(60(92)93)22-11-14-25-62)75-52(84)42(21-13-16-28-79(5)6)70-51(83)41(20-12-15-26-67-38(4)82)71-57(89)48(32-40-33-66-35-69-40)77-53(85)43(23-17-27-68-61(64)65)72-58(90)49(34-80)78-59(91)50(63)37(3)81/h8-10,18-19,33,35-37,41-50,80-81H,11-17,20-32,34,62-63H2,1-7H3,(H,66,69)(H,67,82)(H,70,83)(H,71,89)(H,72,90)(H,73,87)(H,74,88)(H,75,84)(H,76,86)(H,77,85)(H,78,91)(H,92,93)(H4,64,65,68)/p+4/t37-,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+/m1/s1
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):
Q12888
P04637
Entrez Gene ID
NCBI Entrez Gene ID:
7158
7157
ASD
Information of known allosteric effects of PDB entries
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