Browse entries in the PDBbind-CN Database
HEADER 1O4L_COMPLEX COMPND 1O4L_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 105 SER ILE GLN ALA GLU GLU TRP TYR PHE GLY LYS ILE THR SEQRES 2 A 105 ARG ARG GLU SER GLU ARG LEU LEU LEU ASN ALA GLU ASN SEQRES 3 A 105 PRO ARG GLY THR PHE LEU VAL ARG GLU SER GLU THR THR SEQRES 4 A 105 LYS GLY ALA TYR CYS LEU SER VAL SER ASP PHE ASP ASN SEQRES 5 A 105 ALA LYS GLY LEU ASN VAL LYS HIS TYR LYS ILE ARG LYS SEQRES 6 A 105 LEU ASP SER GLY GLY PHE TYR ILE THR SER ARG THR GLN SEQRES 7 A 105 PHE ASN SER LEU GLN GLN LEU VAL ALA TYR TYR SER LYS SEQRES 8 A 105 HIS ALA ASP GLY LEU CYS HIS ARG LEU THR THR VAL CYS SEQRES 9 A 105 PRO HET CIT A 258 18 ATOM 1 N SER A 1 3.766 13.373 6.089 1.00 63.98 N ATOM 2 CA SER A 1 3.576 14.832 5.815 1.00 63.70 C ATOM 3 C SER A 1 3.128 15.702 7.000 1.00 62.26 C ATOM 4 O SER A 1 1.936 15.919 7.279 1.00 62.46 O ATOM 5 CB SER A 1 2.748 15.090 4.536 1.00 66.44 C ATOM 6 OG SER A 1 3.578 15.005 3.359 1.00 69.61 O ATOM 7 HA SER A 1 4.592 15.183 5.632 1.00 0.00 H ATOM 8 HB2 SER A 1 2.307 16.085 4.591 1.00 0.00 H ATOM 9 HB3 SER A 1 1.955 14.346 4.468 1.00 0.00 H ATOM 10 HG SER A 1 3.026 15.174 2.555 1.00 0.00 H ATOM 11 HN3 SER A 1 2.869 12.964 6.418 1.00 0.00 H ATOM 12 HN2 SER A 1 4.494 13.251 6.822 1.00 0.00 H ATOM 13 HN1 SER A 1 4.067 12.894 5.216 1.00 0.00 H ATOM 14 N ILE A 2 4.188 16.241 7.606 1.00 60.30 N ATOM 15 CA ILE A 2 4.276 17.120 8.771 1.00 57.00 C ATOM 16 C ILE A 2 3.257 18.229 9.074 1.00 54.28 C ATOM 17 O ILE A 2 2.777 18.361 10.198 1.00 52.96 O ATOM 18 CB ILE A 2 5.717 17.698 8.783 1.00 56.90 C ATOM 19 CG1 ILE A 2 5.902 18.761 9.823 1.00 57.95 C ATOM 20 CG2 ILE A 2 6.032 18.360 7.479 1.00 59.02 C ATOM 21 CD1 ILE A 2 7.282 19.352 9.721 1.00 59.90 C ATOM 22 HA ILE A 2 3.996 16.446 9.580 1.00 0.00 H ATOM 23 HB ILE A 2 6.366 16.846 8.986 1.00 0.00 H ATOM 24 HG12 ILE A 2 5.161 19.546 9.672 1.00 0.00 H ATOM 25 HG13 ILE A 2 5.769 18.324 10.813 1.00 0.00 H ATOM 26 HD11 ILE A 2 8.024 18.568 9.875 1.00 0.00 H ATOM 27 HD12 ILE A 2 7.415 19.792 8.733 1.00 0.00 H ATOM 28 HD13 ILE A 2 7.403 20.123 10.482 1.00 0.00 H ATOM 29 HG21 ILE A 2 5.951 17.630 6.674 1.00 0.00 H ATOM 30 HG22 ILE A 2 5.327 19.173 7.306 1.00 0.00 H ATOM 31 HG23 ILE A 2 7.046 18.757 7.510 1.00 0.00 H ATOM 32 H ILE A 2 5.104 15.995 7.178 1.00 0.00 H ATOM 33 N GLN A 3 2.910 19.031 8.100 1.00 52.36 N ATOM 34 CA GLN A 3 2.005 20.106 8.448 1.00 52.18 C ATOM 35 C GLN A 3 0.598 19.636 8.807 1.00 49.37 C ATOM 36 O GLN A 3 -0.286 20.417 9.217 1.00 48.89 O ATOM 37 CB GLN A 3 1.996 21.195 7.377 1.00 57.45 C ATOM 38 CG GLN A 3 1.732 20.677 6.002 1.00 69.38 C ATOM 39 CD GLN A 3 1.720 21.812 5.022 1.00 80.40 C ATOM 40 OE1 GLN A 3 2.455 22.804 5.216 1.00 86.16 O ATOM 41 NE2 GLN A 3 0.870 21.715 3.979 1.00 83.35 N ATOM 42 HA GLN A 3 2.398 20.544 9.365 1.00 0.00 H ATOM 43 HB2 GLN A 3 1.221 21.919 7.628 1.00 0.00 H ATOM 44 HB3 GLN A 3 2.968 21.689 7.379 1.00 0.00 H ATOM 45 HG2 GLN A 3 2.514 19.969 5.726 1.00 0.00 H ATOM 46 HG3 GLN A 3 0.765 20.174 5.985 1.00 0.00 H ATOM 47 HE22 GLN A 3 0.281 20.866 3.866 1.00 0.00 H ATOM 48 HE21 GLN A 3 0.804 22.490 3.288 1.00 0.00 H ATOM 49 H GLN A 3 3.264 18.903 7.131 1.00 0.00 H ATOM 50 N ALA A 4 0.390 18.351 8.644 1.00 45.97 N ATOM 51 CA ALA A 4 -0.896 17.798 8.966 1.00 43.11 C ATOM 52 C ALA A 4 -0.905 17.473 10.473 1.00 39.40 C ATOM 53 O ALA A 4 -1.956 17.436 11.131 1.00 39.80 O ATOM 54 CB ALA A 4 -1.089 16.506 8.135 1.00 47.01 C ATOM 55 HA ALA A 4 -1.703 18.495 8.738 1.00 0.00 H ATOM 56 HB1 ALA A 4 -1.040 16.748 7.073 1.00 0.00 H ATOM 57 HB2 ALA A 4 -0.302 15.794 8.384 1.00 0.00 H ATOM 58 HB3 ALA A 4 -2.061 16.069 8.365 1.00 0.00 H ATOM 59 H ALA A 4 1.150 17.738 8.285 1.00 0.00 H ATOM 60 N GLU A 5 0.286 17.225 11.000 1.00 34.58 N ATOM 61 CA GLU A 5 0.463 16.851 12.384 1.00 29.51 C ATOM 62 C GLU A 5 -0.040 17.867 13.408 1.00 25.06 C ATOM 63 O GLU A 5 0.243 19.027 13.346 1.00 23.04 O ATOM 64 CB GLU A 5 1.938 16.485 12.602 1.00 28.72 C ATOM 65 CG GLU A 5 2.462 15.574 11.482 1.00 29.77 C ATOM 66 CD GLU A 5 1.729 14.265 11.438 1.00 30.36 C ATOM 67 OE1 GLU A 5 1.679 13.623 10.373 1.00 33.25 O ATOM 68 OE2 GLU A 5 1.183 13.884 12.488 1.00 31.40 O ATOM 69 HA GLU A 5 -0.177 15.988 12.567 1.00 0.00 H ATOM 70 HB2 GLU A 5 2.531 17.399 12.622 1.00 0.00 H ATOM 71 HB3 GLU A 5 2.038 15.967 13.556 1.00 0.00 H ATOM 72 HG2 GLU A 5 2.335 16.082 10.526 1.00 0.00 H ATOM 73 HG3 GLU A 5 3.521 15.380 11.651 1.00 0.00 H ATOM 74 H GLU A 5 1.127 17.303 10.393 1.00 0.00 H ATOM 75 N GLU A 6 -0.833 17.406 14.346 1.00 21.57 N ATOM 76 CA GLU A 6 -1.311 18.300 15.376 1.00 19.56 C ATOM 77 C GLU A 6 -0.156 18.837 16.269 1.00 18.20 C ATOM 78 O GLU A 6 -0.345 19.853 16.942 1.00 17.22 O ATOM 79 CB GLU A 6 -2.382 17.632 16.254 1.00 16.65 C ATOM 80 CG GLU A 6 -1.883 16.607 17.270 1.00 14.18 C ATOM 81 CD GLU A 6 -1.540 15.167 16.688 1.00 14.60 C ATOM 82 OE1 GLU A 6 -1.195 14.292 17.560 1.00 20.43 O ATOM 83 OE2 GLU A 6 -1.572 14.903 15.426 1.00 13.98 O ATOM 84 HA GLU A 6 -1.762 19.147 14.859 1.00 0.00 H ATOM 85 HB2 GLU A 6 -2.900 18.419 16.803 1.00 0.00 H ATOM 86 HB3 GLU A 6 -3.087 17.128 15.593 1.00 0.00 H ATOM 87 HG2 GLU A 6 -0.980 17.006 17.732 1.00 0.00 H ATOM 88 HG3 GLU A 6 -2.655 16.486 18.030 1.00 0.00 H ATOM 89 H GLU A 6 -1.115 16.405 14.348 1.00 0.00 H ATOM 90 N TRP A 7 0.961 18.089 16.385 1.00 18.15 N ATOM 91 CA TRP A 7 2.112 18.573 17.185 1.00 17.28 C ATOM 92 C TRP A 7 3.003 19.509 16.353 1.00 16.74 C ATOM 93 O TRP A 7 3.961 20.099 16.873 1.00 17.24 O ATOM 94 CB TRP A 7 2.970 17.442 17.786 1.00 16.34 C ATOM 95 CG TRP A 7 3.147 16.274 16.899 1.00 13.66 C ATOM 96 CD1 TRP A 7 2.520 15.059 17.039 1.00 17.12 C ATOM 97 CD2 TRP A 7 4.009 16.146 15.741 1.00 17.15 C ATOM 98 NE1 TRP A 7 2.911 14.210 16.039 1.00 17.25 N ATOM 99 CE2 TRP A 7 3.831 14.839 15.230 1.00 17.50 C ATOM 100 CE3 TRP A 7 4.913 17.013 15.076 1.00 16.01 C ATOM 101 CZ2 TRP A 7 4.528 14.362 14.100 1.00 19.38 C ATOM 102 CZ3 TRP A 7 5.605 16.541 13.942 1.00 19.07 C ATOM 103 CH2 TRP A 7 5.406 15.239 13.460 1.00 19.52 C ATOM 104 HA TRP A 7 1.676 19.119 18.022 1.00 0.00 H ATOM 105 HB2 TRP A 7 3.955 17.847 18.018 1.00 0.00 H ATOM 106 HB3 TRP A 7 2.493 17.103 18.705 1.00 0.00 H ATOM 107 HE1 TRP A 7 2.566 13.238 15.910 1.00 0.00 H ATOM 108 HD1 TRP A 7 1.814 14.808 17.831 1.00 0.00 H ATOM 109 HZ2 TRP A 7 4.386 13.343 13.739 1.00 0.00 H ATOM 110 HH2 TRP A 7 5.945 14.907 12.573 1.00 0.00 H ATOM 111 HZ3 TRP A 7 6.307 17.200 13.431 1.00 0.00 H ATOM 112 HE3 TRP A 7 5.071 18.030 15.436 1.00 0.00 H ATOM 113 H TRP A 7 1.015 17.166 15.910 1.00 0.00 H ATOM 114 N TYR A 8 2.690 19.661 15.073 1.00 16.69 N ATOM 115 CA TYR A 8 3.480 20.556 14.240 1.00 19.14 C ATOM 116 C TYR A 8 2.886 21.954 14.252 1.00 19.57 C ATOM 117 O TYR A 8 1.846 22.184 13.652 1.00 21.03 O ATOM 118 CB TYR A 8 3.564 20.069 12.806 1.00 18.86 C ATOM 119 CG TYR A 8 4.520 20.929 12.030 1.00 19.99 C ATOM 120 CD1 TYR A 8 5.850 21.020 12.416 1.00 22.09 C ATOM 121 CD2 TYR A 8 4.097 21.659 10.935 1.00 20.38 C ATOM 122 CE1 TYR A 8 6.743 21.838 11.712 1.00 25.41 C ATOM 123 CE2 TYR A 8 4.962 22.452 10.222 1.00 23.86 C ATOM 124 CZ TYR A 8 6.288 22.547 10.607 1.00 26.66 C ATOM 125 OH TYR A 8 7.181 23.321 9.876 1.00 27.03 O ATOM 126 HA TYR A 8 4.486 20.574 14.658 1.00 0.00 H ATOM 127 HB3 TYR A 8 2.576 20.121 12.348 1.00 0.00 H ATOM 128 HB2 TYR A 8 3.914 19.037 12.794 1.00 0.00 H ATOM 129 HD2 TYR A 8 3.052 21.604 10.630 1.00 0.00 H ATOM 130 HE2 TYR A 8 4.605 23.006 9.354 1.00 0.00 H ATOM 131 HE1 TYR A 8 7.783 21.917 12.028 1.00 0.00 H ATOM 132 HD1 TYR A 8 6.203 20.450 13.275 1.00 0.00 H ATOM 133 HH TYR A 8 6.871 24.261 9.867 1.00 0.00 H ATOM 134 H TYR A 8 1.885 19.144 14.667 1.00 0.00 H ATOM 135 N PHE A 9 3.554 22.890 14.900 1.00 19.55 N ATOM 136 CA PHE A 9 3.055 24.264 14.993 1.00 19.66 C ATOM 137 C PHE A 9 3.555 25.189 13.896 1.00 21.18 C ATOM 138 O PHE A 9 3.222 26.379 13.888 1.00 22.09 O ATOM 139 CB PHE A 9 3.338 24.862 16.379 1.00 16.43 C ATOM 140 CG PHE A 9 2.449 24.322 17.478 1.00 19.02 C ATOM 141 CD1 PHE A 9 2.145 22.957 17.577 1.00 18.72 C ATOM 142 CD2 PHE A 9 1.864 25.179 18.397 1.00 21.91 C ATOM 143 CE1 PHE A 9 1.258 22.470 18.590 1.00 15.53 C ATOM 144 CE2 PHE A 9 0.976 24.680 19.417 1.00 22.47 C ATOM 145 CZ PHE A 9 0.691 23.327 19.495 1.00 18.16 C ATOM 146 HA PHE A 9 1.978 24.188 14.845 1.00 0.00 H ATOM 147 HB2 PHE A 9 4.374 24.647 16.640 1.00 0.00 H ATOM 148 HB3 PHE A 9 3.195 25.941 16.322 1.00 0.00 H ATOM 149 HD2 PHE A 9 2.079 26.247 18.348 1.00 0.00 H ATOM 150 HE2 PHE A 9 0.527 25.371 20.130 1.00 0.00 H ATOM 151 HZ PHE A 9 0.023 22.948 20.268 1.00 0.00 H ATOM 152 HE1 PHE A 9 1.032 21.405 18.641 1.00 0.00 H ATOM 153 HD1 PHE A 9 2.591 22.256 16.872 1.00 0.00 H ATOM 154 H PHE A 9 4.457 22.646 15.356 1.00 0.00 H ATOM 155 N GLY A 10 4.300 24.647 12.937 1.00 21.30 N ATOM 156 CA GLY A 10 4.769 25.475 11.838 1.00 21.00 C ATOM 157 C GLY A 10 5.621 26.675 12.226 1.00 21.09 C ATOM 158 O GLY A 10 6.512 26.606 13.078 1.00 19.16 O ATOM 159 HA3 GLY A 10 3.895 25.845 11.302 1.00 0.00 H ATOM 160 HA2 GLY A 10 5.361 24.845 11.174 1.00 0.00 H ATOM 161 H GLY A 10 4.546 23.637 12.973 1.00 0.00 H ATOM 162 N LYS A 11 5.283 27.825 11.661 1.00 20.77 N ATOM 163 CA LYS A 11 6.056 29.029 11.889 1.00 21.80 C ATOM 164 C LYS A 11 5.706 29.775 13.146 1.00 21.41 C ATOM 165 O LYS A 11 4.841 30.652 13.120 1.00 23.03 O ATOM 166 CB LYS A 11 5.928 29.957 10.659 1.00 22.63 C ATOM 167 CG LYS A 11 6.986 31.024 10.574 1.00 23.65 C ATOM 168 CD LYS A 11 6.717 31.936 9.404 1.00 23.34 C ATOM 169 CE LYS A 11 7.837 32.941 9.283 1.00 21.41 C ATOM 170 NZ LYS A 11 7.281 34.084 8.506 1.00 19.29 N ATOM 171 HA LYS A 11 7.088 28.706 12.031 1.00 0.00 H ATOM 172 HB2 LYS A 11 5.989 29.343 9.760 1.00 0.00 H ATOM 173 HB3 LYS A 11 4.954 30.444 10.699 1.00 0.00 H ATOM 174 HG2 LYS A 11 6.982 31.608 11.494 1.00 0.00 H ATOM 175 HG3 LYS A 11 7.961 30.554 10.447 1.00 0.00 H ATOM 176 HD2 LYS A 11 6.657 31.346 8.489 1.00 0.00 H ATOM 177 HD3 LYS A 11 5.774 32.459 9.560 1.00 0.00 H ATOM 178 HE2 LYS A 11 8.685 32.502 8.757 1.00 0.00 H ATOM 179 HE3 LYS A 11 8.156 33.274 10.271 1.00 0.00 H ATOM 180 HZ1 LYS A 11 6.974 33.749 7.571 1.00 0.00 H ATOM 181 HZ2 LYS A 11 6.469 34.486 9.016 1.00 0.00 H ATOM 182 HZ3 LYS A 11 8.014 34.813 8.391 1.00 0.00 H ATOM 183 H LYS A 11 4.448 27.864 11.043 1.00 0.00 H ATOM 184 N ILE A 12 6.274 29.366 14.264 1.00 19.10 N ATOM 185 CA ILE A 12 6.054 30.083 15.517 1.00 17.79 C ATOM 186 C ILE A 12 7.453 30.269 16.075 1.00 16.36 C ATOM 187 O ILE A 12 8.341 29.504 15.760 1.00 15.48 O ATOM 188 CB ILE A 12 5.080 29.369 16.537 1.00 19.89 C ATOM 189 CG1 ILE A 12 5.637 28.025 17.067 1.00 17.33 C ATOM 190 CG2 ILE A 12 3.708 29.213 15.896 1.00 21.07 C ATOM 191 CD1 ILE A 12 5.162 27.697 18.490 1.00 18.24 C ATOM 192 HA ILE A 12 5.531 31.023 15.340 1.00 0.00 H ATOM 193 HB ILE A 12 4.989 30.002 17.420 1.00 0.00 H ATOM 194 HG12 ILE A 12 5.312 27.227 16.400 1.00 0.00 H ATOM 195 HG13 ILE A 12 6.726 28.076 17.067 1.00 0.00 H ATOM 196 HD11 ILE A 12 5.489 28.483 19.171 1.00 0.00 H ATOM 197 HD12 ILE A 12 4.074 27.633 18.503 1.00 0.00 H ATOM 198 HD13 ILE A 12 5.587 26.743 18.803 1.00 0.00 H ATOM 199 HG21 ILE A 12 3.314 30.197 15.641 1.00 0.00 H ATOM 200 HG22 ILE A 12 3.797 28.610 14.992 1.00 0.00 H ATOM 201 HG23 ILE A 12 3.034 28.721 16.598 1.00 0.00 H ATOM 202 H ILE A 12 6.885 28.524 14.253 1.00 0.00 H ATOM 203 N THR A 13 7.678 31.350 16.810 1.00 15.83 N ATOM 204 CA THR A 13 9.008 31.663 17.336 1.00 14.80 C ATOM 205 C THR A 13 9.322 30.840 18.599 1.00 15.48 C ATOM 206 O THR A 13 8.426 30.240 19.251 1.00 13.71 O ATOM 207 CB THR A 13 9.134 33.191 17.749 1.00 13.86 C ATOM 208 OG1 THR A 13 8.277 33.455 18.869 1.00 14.02 O ATOM 209 CG2 THR A 13 8.781 34.141 16.577 1.00 13.54 C ATOM 210 HA THR A 13 9.705 31.424 16.532 1.00 0.00 H ATOM 211 HB THR A 13 10.173 33.381 18.020 1.00 0.00 H ATOM 212 HG1 THR A 13 7.340 33.256 18.620 1.00 0.00 H ATOM 213 HG23 THR A 13 9.437 33.933 15.732 1.00 0.00 H ATOM 214 HG21 THR A 13 7.744 33.982 16.282 1.00 0.00 H ATOM 215 HG22 THR A 13 8.915 35.175 16.896 1.00 0.00 H ATOM 216 H THR A 13 6.888 31.993 17.018 1.00 0.00 H ATOM 217 N ARG A 14 10.591 30.899 18.990 1.00 14.13 N ATOM 218 CA ARG A 14 11.067 30.264 20.181 1.00 14.94 C ATOM 219 C ARG A 14 10.333 30.826 21.409 1.00 15.72 C ATOM 220 O ARG A 14 9.939 30.053 22.306 1.00 14.03 O ATOM 221 CB ARG A 14 12.564 30.510 20.318 1.00 12.18 C ATOM 222 CG ARG A 14 13.142 30.060 21.603 1.00 13.57 C ATOM 223 CD ARG A 14 14.574 30.497 21.493 1.00 19.38 C ATOM 224 NE ARG A 14 15.457 29.912 22.482 1.00 29.75 N ATOM 225 CZ ARG A 14 16.386 28.973 22.258 1.00 25.20 C ATOM 226 NH1 ARG A 14 17.087 28.579 23.305 1.00 24.71 N ATOM 227 NH2 ARG A 14 16.554 28.373 21.059 1.00 23.62 N ATOM 228 HA ARG A 14 10.876 29.193 20.118 1.00 0.00 H ATOM 229 HB2 ARG A 14 13.072 29.981 19.512 1.00 0.00 H ATOM 230 HB3 ARG A 14 12.744 31.580 20.219 1.00 0.00 H ATOM 231 HG2 ARG A 14 12.648 30.542 22.447 1.00 0.00 H ATOM 232 HG3 ARG A 14 13.068 28.978 21.710 1.00 0.00 H ATOM 233 HD2 ARG A 14 14.609 31.581 21.603 1.00 0.00 H ATOM 234 HD3 ARG A 14 14.940 30.221 20.504 1.00 0.00 H ATOM 235 HE ARG A 14 15.360 30.254 23.459 1.00 0.00 H ATOM 236 HH12 ARG A 14 17.823 27.852 23.195 1.00 0.00 H ATOM 237 HH11 ARG A 14 16.903 28.995 24.240 1.00 0.00 H ATOM 238 HH22 ARG A 14 17.291 27.649 20.938 1.00 0.00 H ATOM 239 HH21 ARG A 14 15.946 28.635 20.257 1.00 0.00 H ATOM 240 H ARG A 14 11.268 31.430 18.405 1.00 0.00 H ATOM 241 N ARG A 15 10.157 32.161 21.467 1.00 15.17 N ATOM 242 CA ARG A 15 9.500 32.799 22.622 1.00 15.05 C ATOM 243 C ARG A 15 8.015 32.374 22.743 1.00 13.38 C ATOM 244 O ARG A 15 7.499 32.182 23.831 1.00 13.87 O ATOM 245 CB ARG A 15 9.609 34.313 22.482 1.00 16.70 C ATOM 246 CG ARG A 15 8.874 35.043 23.595 1.00 21.68 C ATOM 247 CD ARG A 15 9.173 36.546 23.674 1.00 22.37 C ATOM 248 NE ARG A 15 8.404 37.167 24.761 1.00 24.23 N ATOM 249 CZ ARG A 15 8.818 37.293 26.036 1.00 27.09 C ATOM 250 NH1 ARG A 15 10.009 36.852 26.420 1.00 22.11 N ATOM 251 NH2 ARG A 15 8.029 37.857 26.959 1.00 30.46 N ATOM 252 HA ARG A 15 10.004 32.473 23.532 1.00 0.00 H ATOM 253 HB2 ARG A 15 10.662 34.594 22.512 1.00 0.00 H ATOM 254 HB3 ARG A 15 9.182 34.610 21.524 1.00 0.00 H ATOM 255 HG2 ARG A 15 7.803 34.916 23.437 1.00 0.00 H ATOM 256 HG3 ARG A 15 9.156 34.589 24.545 1.00 0.00 H ATOM 257 HD2 ARG A 15 8.902 37.016 22.729 1.00 0.00 H ATOM 258 HD3 ARG A 15 10.237 36.691 23.859 1.00 0.00 H ATOM 259 HE ARG A 15 7.462 37.540 24.526 1.00 0.00 H ATOM 260 HH12 ARG A 15 10.309 36.960 27.410 1.00 0.00 H ATOM 261 HH11 ARG A 15 10.643 36.399 25.731 1.00 0.00 H ATOM 262 HH22 ARG A 15 8.360 37.949 27.941 1.00 0.00 H ATOM 263 HH21 ARG A 15 7.085 38.204 26.694 1.00 0.00 H ATOM 264 H ARG A 15 10.492 32.753 20.680 1.00 0.00 H ATOM 265 N GLU A 16 7.345 32.244 21.598 1.00 14.28 N ATOM 266 CA GLU A 16 5.940 31.793 21.558 1.00 15.40 C ATOM 267 C GLU A 16 5.887 30.320 22.019 1.00 14.84 C ATOM 268 O GLU A 16 5.066 29.962 22.866 1.00 14.35 O ATOM 269 CB GLU A 16 5.333 31.936 20.146 1.00 17.13 C ATOM 270 CG GLU A 16 3.911 31.367 19.950 1.00 17.55 C ATOM 271 CD GLU A 16 2.835 32.024 20.879 1.00 22.10 C ATOM 272 OE1 GLU A 16 1.662 31.605 20.745 1.00 28.39 O ATOM 273 OE2 GLU A 16 3.112 32.948 21.701 1.00 20.97 O ATOM 274 HA GLU A 16 5.348 32.421 22.224 1.00 0.00 H ATOM 275 HB2 GLU A 16 5.302 32.998 19.904 1.00 0.00 H ATOM 276 HB3 GLU A 16 5.995 31.425 19.447 1.00 0.00 H ATOM 277 HG2 GLU A 16 3.616 31.529 18.913 1.00 0.00 H ATOM 278 HG3 GLU A 16 3.937 30.297 20.157 1.00 0.00 H ATOM 279 H GLU A 16 7.828 32.467 20.704 1.00 0.00 H ATOM 280 N SER A 17 6.768 29.470 21.493 1.00 14.09 N ATOM 281 CA SER A 17 6.771 28.072 21.970 1.00 13.60 C ATOM 282 C SER A 17 6.970 28.057 23.501 1.00 13.12 C ATOM 283 O SER A 17 6.346 27.238 24.192 1.00 12.35 O ATOM 284 CB SER A 17 7.886 27.280 21.251 1.00 15.02 C ATOM 285 OG SER A 17 9.154 27.472 21.889 1.00 15.01 O ATOM 286 HA SER A 17 5.818 27.595 21.742 1.00 0.00 H ATOM 287 HB2 SER A 17 7.953 27.619 20.217 1.00 0.00 H ATOM 288 HB3 SER A 17 7.636 26.219 21.268 1.00 0.00 H ATOM 289 HG SER A 17 9.388 28.434 21.872 1.00 0.00 H ATOM 290 H SER A 17 7.439 29.784 20.763 1.00 0.00 H ATOM 291 N GLU A 18 7.809 28.952 24.060 1.00 11.12 N ATOM 292 CA GLU A 18 7.981 28.990 25.512 1.00 12.26 C ATOM 293 C GLU A 18 6.720 29.513 26.230 1.00 13.19 C ATOM 294 O GLU A 18 6.380 29.020 27.317 1.00 13.29 O ATOM 295 CB GLU A 18 9.216 29.793 25.901 1.00 12.67 C ATOM 296 CG GLU A 18 10.448 29.116 25.315 1.00 14.85 C ATOM 297 CD GLU A 18 11.720 29.900 25.478 1.00 24.00 C ATOM 298 OE1 GLU A 18 12.801 29.313 25.382 1.00 17.52 O ATOM 299 OE2 GLU A 18 11.663 31.131 25.668 1.00 28.77 O ATOM 300 HA GLU A 18 8.133 27.963 25.844 1.00 0.00 H ATOM 301 HB2 GLU A 18 9.133 30.806 25.508 1.00 0.00 H ATOM 302 HB3 GLU A 18 9.301 29.832 26.987 1.00 0.00 H ATOM 303 HG2 GLU A 18 10.575 28.152 25.808 1.00 0.00 H ATOM 304 HG3 GLU A 18 10.278 28.959 24.250 1.00 0.00 H ATOM 305 H GLU A 18 8.335 29.617 23.458 1.00 0.00 H ATOM 306 N ARG A 19 6.019 30.496 25.633 1.00 12.75 N ATOM 307 CA ARG A 19 4.786 31.016 26.247 1.00 13.90 C ATOM 308 C ARG A 19 3.776 29.857 26.409 1.00 13.57 C ATOM 309 O ARG A 19 3.198 29.653 27.476 1.00 14.26 O ATOM 310 CB ARG A 19 4.153 32.086 25.377 1.00 14.81 C ATOM 311 CG ARG A 19 3.087 32.887 26.172 1.00 15.93 C ATOM 312 CD ARG A 19 2.358 33.845 25.276 1.00 16.51 C ATOM 313 NE ARG A 19 1.755 33.183 24.124 1.00 20.28 N ATOM 314 CZ ARG A 19 0.602 32.530 24.165 1.00 21.04 C ATOM 315 NH1 ARG A 19 -0.091 32.441 25.313 1.00 19.53 N ATOM 316 NH2 ARG A 19 0.162 31.957 23.064 1.00 19.18 N ATOM 317 HA ARG A 19 5.040 31.450 27.214 1.00 0.00 H ATOM 318 HB2 ARG A 19 4.928 32.769 25.030 1.00 0.00 H ATOM 319 HB3 ARG A 19 3.677 31.613 24.518 1.00 0.00 H ATOM 320 HG2 ARG A 19 2.371 32.192 26.609 1.00 0.00 H ATOM 321 HG3 ARG A 19 3.580 33.446 26.967 1.00 0.00 H ATOM 322 HD2 ARG A 19 3.063 34.596 24.919 1.00 0.00 H ATOM 323 HD3 ARG A 19 1.571 34.332 25.851 1.00 0.00 H ATOM 324 HE ARG A 19 2.260 33.226 23.216 1.00 0.00 H ATOM 325 HH12 ARG A 19 -0.995 31.927 25.336 1.00 0.00 H ATOM 326 HH11 ARG A 19 0.276 32.886 26.178 1.00 0.00 H ATOM 327 HH22 ARG A 19 -0.740 31.439 23.072 1.00 0.00 H ATOM 328 HH21 ARG A 19 0.716 32.022 22.187 1.00 0.00 H ATOM 329 H ARG A 19 6.352 30.891 24.730 1.00 0.00 H ATOM 330 N LEU A 20 3.649 29.078 25.338 1.00 13.82 N ATOM 331 CA LEU A 20 2.748 27.918 25.301 1.00 14.76 C ATOM 332 C LEU A 20 3.159 26.790 26.274 1.00 14.84 C ATOM 333 O LEU A 20 2.324 26.252 27.037 1.00 15.09 O ATOM 334 CB LEU A 20 2.698 27.368 23.881 1.00 16.53 C ATOM 335 CG LEU A 20 1.862 28.117 22.814 1.00 19.60 C ATOM 336 CD1 LEU A 20 2.095 27.463 21.499 1.00 22.57 C ATOM 337 CD2 LEU A 20 0.415 28.059 23.145 1.00 22.11 C ATOM 338 HA LEU A 20 1.767 28.267 25.622 1.00 0.00 H ATOM 339 HB2 LEU A 20 3.724 27.333 23.516 1.00 0.00 H ATOM 340 HB3 LEU A 20 2.301 26.355 23.945 1.00 0.00 H ATOM 341 HG LEU A 20 2.164 29.164 22.784 1.00 0.00 H ATOM 342 HD21 LEU A 20 0.093 27.018 23.179 1.00 0.00 H ATOM 343 HD22 LEU A 20 0.247 28.525 24.116 1.00 0.00 H ATOM 344 HD23 LEU A 20 -0.153 28.592 22.382 1.00 0.00 H ATOM 345 HD11 LEU A 20 3.155 27.516 21.251 1.00 0.00 H ATOM 346 HD12 LEU A 20 1.785 26.419 21.554 1.00 0.00 H ATOM 347 HD13 LEU A 20 1.515 27.976 20.732 1.00 0.00 H ATOM 348 H LEU A 20 4.211 29.299 24.491 1.00 0.00 H ATOM 349 N LEU A 21 4.456 26.479 26.310 1.00 13.54 N ATOM 350 CA LEU A 21 4.935 25.398 27.163 1.00 13.81 C ATOM 351 C LEU A 21 5.061 25.688 28.642 1.00 14.09 C ATOM 352 O LEU A 21 5.020 24.781 29.465 1.00 14.64 O ATOM 353 CB LEU A 21 6.255 24.811 26.578 1.00 13.64 C ATOM 354 CG LEU A 21 6.085 24.125 25.212 1.00 12.61 C ATOM 355 CD1 LEU A 21 7.426 23.942 24.459 1.00 15.59 C ATOM 356 CD2 LEU A 21 5.413 22.771 25.429 1.00 13.91 C ATOM 357 HA LEU A 21 4.135 24.658 27.140 1.00 0.00 H ATOM 358 HB2 LEU A 21 6.972 25.624 26.466 1.00 0.00 H ATOM 359 HB3 LEU A 21 6.646 24.078 27.283 1.00 0.00 H ATOM 360 HG LEU A 21 5.467 24.768 24.585 1.00 0.00 H ATOM 361 HD21 LEU A 21 6.037 22.157 26.079 1.00 0.00 H ATOM 362 HD22 LEU A 21 4.439 22.921 25.894 1.00 0.00 H ATOM 363 HD23 LEU A 21 5.286 22.272 24.468 1.00 0.00 H ATOM 364 HD11 LEU A 21 7.881 24.918 24.287 1.00 0.00 H ATOM 365 HD12 LEU A 21 8.097 23.327 25.059 1.00 0.00 H ATOM 366 HD13 LEU A 21 7.240 23.453 23.503 1.00 0.00 H ATOM 367 H LEU A 21 5.131 27.012 25.725 1.00 0.00 H ATOM 368 N LEU A 22 5.196 26.958 29.013 1.00 13.62 N ATOM 369 CA LEU A 22 5.367 27.318 30.413 1.00 15.23 C ATOM 370 C LEU A 22 4.096 27.356 31.193 1.00 16.02 C ATOM 371 O LEU A 22 4.054 27.855 32.285 1.00 20.30 O ATOM 372 CB LEU A 22 6.121 28.645 30.562 1.00 16.18 C ATOM 373 CG LEU A 22 7.587 28.639 30.116 1.00 18.24 C ATOM 374 CD1 LEU A 22 8.147 30.070 29.950 1.00 16.70 C ATOM 375 CD2 LEU A 22 8.390 27.796 31.100 1.00 19.56 C ATOM 376 HA LEU A 22 5.965 26.513 30.841 1.00 0.00 H ATOM 377 HB2 LEU A 22 5.596 29.395 29.971 1.00 0.00 H ATOM 378 HB3 LEU A 22 6.094 28.928 31.614 1.00 0.00 H ATOM 379 HG LEU A 22 7.668 28.189 29.126 1.00 0.00 H ATOM 380 HD21 LEU A 22 8.306 28.226 32.098 1.00 0.00 H ATOM 381 HD22 LEU A 22 7.999 26.778 31.108 1.00 0.00 H ATOM 382 HD23 LEU A 22 9.436 27.782 30.795 1.00 0.00 H ATOM 383 HD11 LEU A 22 7.564 30.602 29.198 1.00 0.00 H ATOM 384 HD12 LEU A 22 8.082 30.597 30.902 1.00 0.00 H ATOM 385 HD13 LEU A 22 9.189 30.017 29.633 1.00 0.00 H ATOM 386 H LEU A 22 5.179 27.706 28.291 1.00 0.00 H ATOM 387 N ASN A 23 3.048 26.780 30.655 1.00 17.19 N ATOM 388 CA ASN A 23 1.791 26.728 31.366 1.00 15.31 C ATOM 389 C ASN A 23 1.890 25.715 32.522 1.00 15.83 C ATOM 390 O ASN A 23 2.276 24.547 32.302 1.00 14.65 O ATOM 391 CB ASN A 23 0.720 26.340 30.380 1.00 18.10 C ATOM 392 CG ASN A 23 -0.631 26.507 30.965 1.00 18.89 C ATOM 393 OD1 ASN A 23 -0.923 25.961 32.018 1.00 16.33 O ATOM 394 ND2 ASN A 23 -1.437 27.337 30.334 1.00 20.52 N ATOM 395 HA ASN A 23 1.545 27.696 31.802 1.00 0.00 H ATOM 396 HB2 ASN A 23 0.805 26.971 29.495 1.00 0.00 H ATOM 397 HB3 ASN A 23 0.859 25.297 30.096 1.00 0.00 H ATOM 398 HD22 ASN A 23 -1.137 27.774 29.439 1.00 0.00 H ATOM 399 HD21 ASN A 23 -2.373 27.555 30.731 1.00 0.00 H ATOM 400 H ASN A 23 3.122 26.357 29.708 1.00 0.00 H ATOM 401 N ALA A 24 1.570 26.153 33.750 1.00 15.09 N ATOM 402 CA ALA A 24 1.673 25.306 34.945 1.00 16.51 C ATOM 403 C ALA A 24 0.963 23.944 34.841 1.00 17.29 C ATOM 404 O ALA A 24 1.262 23.012 35.624 1.00 17.73 O ATOM 405 CB ALA A 24 1.154 26.038 36.157 1.00 17.11 C ATOM 406 HA ALA A 24 2.737 25.090 35.039 1.00 0.00 H ATOM 407 HB1 ALA A 24 1.741 26.943 36.312 1.00 0.00 H ATOM 408 HB2 ALA A 24 0.109 26.304 35.999 1.00 0.00 H ATOM 409 HB3 ALA A 24 1.239 25.394 37.033 1.00 0.00 H ATOM 410 H ALA A 24 1.236 27.132 33.859 1.00 0.00 H ATOM 411 N GLU A 25 -0.025 23.854 33.948 1.00 15.53 N ATOM 412 CA GLU A 25 -0.749 22.609 33.802 1.00 16.21 C ATOM 413 C GLU A 25 0.026 21.586 32.974 1.00 17.26 C ATOM 414 O GLU A 25 -0.357 20.397 32.952 1.00 17.58 O ATOM 415 CB GLU A 25 -2.080 22.860 33.121 1.00 18.42 C ATOM 416 CG GLU A 25 -3.027 23.687 33.979 1.00 18.10 C ATOM 417 CD GLU A 25 -4.377 23.923 33.310 1.00 23.87 C ATOM 418 OE1 GLU A 25 -5.208 24.546 33.957 1.00 25.38 O ATOM 419 OE2 GLU A 25 -4.609 23.535 32.142 1.00 25.03 O ATOM 420 HA GLU A 25 -0.895 22.208 34.805 1.00 0.00 H ATOM 421 HB2 GLU A 25 -1.900 23.392 32.187 1.00 0.00 H ATOM 422 HB3 GLU A 25 -2.550 21.900 32.907 1.00 0.00 H ATOM 423 HG2 GLU A 25 -3.191 23.163 34.921 1.00 0.00 H ATOM 424 HG3 GLU A 25 -2.563 24.653 34.178 1.00 0.00 H ATOM 425 H GLU A 25 -0.274 24.675 33.360 1.00 0.00 H ATOM 426 N ASN A 26 1.091 22.018 32.282 1.00 16.04 N ATOM 427 CA ASN A 26 1.835 21.078 31.420 1.00 15.49 C ATOM 428 C ASN A 26 2.758 20.112 32.200 1.00 15.17 C ATOM 429 O ASN A 26 3.533 20.548 33.050 1.00 15.03 O ATOM 430 CB ASN A 26 2.677 21.828 30.389 1.00 13.91 C ATOM 431 CG ASN A 26 1.837 22.547 29.349 1.00 15.35 C ATOM 432 OD1 ASN A 26 0.711 22.124 29.038 1.00 14.97 O ATOM 433 ND2 ASN A 26 2.395 23.612 28.759 1.00 14.00 N ATOM 434 HA ASN A 26 1.069 20.479 30.928 1.00 0.00 H ATOM 435 HB2 ASN A 26 3.291 22.563 30.909 1.00 0.00 H ATOM 436 HB3 ASN A 26 3.323 21.112 29.880 1.00 0.00 H ATOM 437 HD22 ASN A 26 3.341 23.932 29.051 1.00 0.00 H ATOM 438 HD21 ASN A 26 1.883 24.119 28.009 1.00 0.00 H ATOM 439 H ASN A 26 1.391 23.011 32.352 1.00 0.00 H ATOM 440 N PRO A 27 2.610 18.787 31.996 1.00 14.61 N ATOM 441 CA PRO A 27 3.521 17.878 32.733 1.00 15.12 C ATOM 442 C PRO A 27 4.865 17.814 31.950 1.00 13.30 C ATOM 443 O PRO A 27 4.945 18.314 30.785 1.00 12.34 O ATOM 444 CB PRO A 27 2.786 16.528 32.681 1.00 14.82 C ATOM 445 CG PRO A 27 2.095 16.561 31.434 1.00 14.05 C ATOM 446 CD PRO A 27 1.617 18.021 31.230 1.00 15.21 C ATOM 447 HA PRO A 27 3.747 18.181 33.755 1.00 0.00 H ATOM 448 HD3 PRO A 27 1.632 18.298 30.176 1.00 0.00 H ATOM 449 HD2 PRO A 27 0.613 18.167 31.628 1.00 0.00 H ATOM 450 HG3 PRO A 27 1.240 15.885 31.460 1.00 0.00 H ATOM 451 HG2 PRO A 27 2.764 16.268 30.625 1.00 0.00 H ATOM 452 HB2 PRO A 27 3.494 15.699 32.711 1.00 0.00 H ATOM 453 HB3 PRO A 27 2.085 16.436 33.511 1.00 0.00 H ATOM 454 N ARG A 28 5.900 17.189 32.524 1.00 12.63 N ATOM 455 CA ARG A 28 7.169 17.068 31.801 1.00 12.56 C ATOM 456 C ARG A 28 6.971 16.336 30.470 1.00 11.76 C ATOM 457 O ARG A 28 6.134 15.389 30.361 1.00 12.48 O ATOM 458 CB ARG A 28 8.153 16.269 32.624 1.00 14.04 C ATOM 459 CG ARG A 28 8.467 16.803 33.967 1.00 18.98 C ATOM 460 CD ARG A 28 9.489 15.903 34.575 1.00 27.23 C ATOM 461 NE ARG A 28 9.767 16.260 35.960 1.00 45.09 N ATOM 462 CZ ARG A 28 9.811 15.394 36.987 1.00 51.27 C ATOM 463 NH1 ARG A 28 9.539 14.096 36.755 1.00 51.80 N ATOM 464 NH2 ARG A 28 10.269 15.790 38.197 1.00 49.51 N ATOM 465 HA ARG A 28 7.544 18.075 31.617 1.00 0.00 H ATOM 466 HB2 ARG A 28 7.744 15.267 32.752 1.00 0.00 H ATOM 467 HB3 ARG A 28 9.086 16.210 32.063 1.00 0.00 H ATOM 468 HG2 ARG A 28 8.863 17.815 33.883 1.00 0.00 H ATOM 469 HG3 ARG A 28 7.568 16.816 34.583 1.00 0.00 H ATOM 470 HD2 ARG A 28 10.412 15.976 33.999 1.00 0.00 H ATOM 471 HD3 ARG A 28 9.122 14.877 34.541 1.00 0.00 H ATOM 472 HE ARG A 28 9.945 17.263 36.170 1.00 0.00 H ATOM 473 HH12 ARG A 28 9.568 13.411 37.537 1.00 0.00 H ATOM 474 HH11 ARG A 28 9.300 13.779 35.794 1.00 0.00 H ATOM 475 HH22 ARG A 28 10.300 15.115 38.988 1.00 0.00 H ATOM 476 HH21 ARG A 28 10.590 16.769 38.337 1.00 0.00 H ATOM 477 H ARG A 28 5.804 16.791 33.480 1.00 0.00 H ATOM 478 N GLY A 29 7.655 16.766 29.418 1.00 10.24 N ATOM 479 CA GLY A 29 7.474 16.034 28.181 1.00 10.60 C ATOM 480 C GLY A 29 6.431 16.599 27.231 1.00 11.06 C ATOM 481 O GLY A 29 6.311 16.151 26.090 1.00 11.73 O ATOM 482 HA3 GLY A 29 7.181 15.015 28.434 1.00 0.00 H ATOM 483 HA2 GLY A 29 8.430 16.017 27.658 1.00 0.00 H ATOM 484 H GLY A 29 8.290 17.588 29.478 1.00 0.00 H ATOM 485 N THR A 30 5.715 17.642 27.674 1.00 10.74 N ATOM 486 CA THR A 30 4.778 18.334 26.768 1.00 11.05 C ATOM 487 C THR A 30 5.635 18.966 25.634 1.00 10.72 C ATOM 488 O THR A 30 6.671 19.578 25.884 1.00 10.84 O ATOM 489 CB THR A 30 3.934 19.411 27.547 1.00 11.17 C ATOM 490 OG1 THR A 30 3.251 18.787 28.657 1.00 10.28 O ATOM 491 CG2 THR A 30 2.933 20.019 26.589 1.00 11.06 C ATOM 492 HA THR A 30 4.052 17.640 26.344 1.00 0.00 H ATOM 493 HB THR A 30 4.587 20.190 27.940 1.00 0.00 H ATOM 494 HG1 THR A 30 3.917 18.386 29.270 1.00 0.00 H ATOM 495 HG23 THR A 30 3.463 20.485 25.759 1.00 0.00 H ATOM 496 HG21 THR A 30 2.275 19.238 26.209 1.00 0.00 H ATOM 497 HG22 THR A 30 2.342 20.771 27.112 1.00 0.00 H ATOM 498 H THR A 30 5.820 17.964 28.657 1.00 0.00 H ATOM 499 N PHE A 31 5.204 18.834 24.403 1.00 11.61 N ATOM 500 CA PHE A 31 6.019 19.266 23.303 1.00 11.48 C ATOM 501 C PHE A 31 5.306 19.781 22.069 1.00 12.38 C ATOM 502 O PHE A 31 4.092 19.675 21.938 1.00 12.04 O ATOM 503 CB PHE A 31 6.878 18.044 22.895 1.00 13.08 C ATOM 504 CG PHE A 31 6.118 17.001 22.058 1.00 10.57 C ATOM 505 CD1 PHE A 31 6.202 16.999 20.653 1.00 10.64 C ATOM 506 CD2 PHE A 31 5.295 16.034 22.687 1.00 13.29 C ATOM 507 CE1 PHE A 31 5.473 16.052 19.850 1.00 11.57 C ATOM 508 CE2 PHE A 31 4.557 15.070 21.897 1.00 11.44 C ATOM 509 CZ PHE A 31 4.655 15.092 20.470 1.00 11.29 C ATOM 510 HA PHE A 31 6.576 20.131 23.662 1.00 0.00 H ATOM 511 HB2 PHE A 31 7.727 18.400 22.312 1.00 0.00 H ATOM 512 HB3 PHE A 31 7.239 17.560 23.802 1.00 0.00 H ATOM 513 HD2 PHE A 31 5.217 16.015 23.774 1.00 0.00 H ATOM 514 HE2 PHE A 31 3.928 14.329 22.389 1.00 0.00 H ATOM 515 HZ PHE A 31 4.101 14.371 19.869 1.00 0.00 H ATOM 516 HE1 PHE A 31 5.555 16.080 18.763 1.00 0.00 H ATOM 517 HD1 PHE A 31 6.837 17.735 20.159 1.00 0.00 H ATOM 518 H PHE A 31 4.269 18.415 24.223 1.00 0.00 H ATOM 519 N LEU A 32 6.098 20.312 21.144 1.00 10.97 N ATOM 520 CA LEU A 32 5.646 20.793 19.842 1.00 11.84 C ATOM 521 C LEU A 32 6.881 20.799 18.904 1.00 11.64 C ATOM 522 O LEU A 32 8.026 20.732 19.377 1.00 12.22 O ATOM 523 CB LEU A 32 5.027 22.196 19.962 1.00 11.91 C ATOM 524 CG LEU A 32 5.844 23.456 20.384 1.00 12.32 C ATOM 525 CD1 LEU A 32 6.530 24.045 19.146 1.00 12.66 C ATOM 526 CD2 LEU A 32 4.951 24.515 21.064 1.00 17.39 C ATOM 527 HA LEU A 32 4.868 20.145 19.438 1.00 0.00 H ATOM 528 HB2 LEU A 32 4.609 22.424 18.981 1.00 0.00 H ATOM 529 HB3 LEU A 32 4.219 22.106 20.688 1.00 0.00 H ATOM 530 HG LEU A 32 6.595 23.155 21.115 1.00 0.00 H ATOM 531 HD21 LEU A 32 4.170 24.828 20.372 1.00 0.00 H ATOM 532 HD22 LEU A 32 4.496 24.086 21.957 1.00 0.00 H ATOM 533 HD23 LEU A 32 5.558 25.376 21.342 1.00 0.00 H ATOM 534 HD11 LEU A 32 7.199 23.301 18.714 1.00 0.00 H ATOM 535 HD12 LEU A 32 5.774 24.325 18.412 1.00 0.00 H ATOM 536 HD13 LEU A 32 7.103 24.926 19.434 1.00 0.00 H ATOM 537 H LEU A 32 7.112 20.391 21.363 1.00 0.00 H ATOM 538 N VAL A 33 6.631 20.816 17.595 1.00 12.71 N ATOM 539 CA VAL A 33 7.677 20.874 16.574 1.00 12.73 C ATOM 540 C VAL A 33 7.336 22.148 15.795 1.00 13.56 C ATOM 541 O VAL A 33 6.169 22.437 15.515 1.00 14.61 O ATOM 542 CB VAL A 33 7.686 19.617 15.642 1.00 13.79 C ATOM 543 CG1 VAL A 33 8.641 19.829 14.505 1.00 13.38 C ATOM 544 CG2 VAL A 33 8.047 18.351 16.450 1.00 12.20 C ATOM 545 HA VAL A 33 8.676 20.886 17.010 1.00 0.00 H ATOM 546 HB VAL A 33 6.689 19.473 15.226 1.00 0.00 H ATOM 547 HG11 VAL A 33 8.331 20.701 13.929 1.00 0.00 H ATOM 548 HG12 VAL A 33 9.644 19.991 14.900 1.00 0.00 H ATOM 549 HG13 VAL A 33 8.640 18.949 13.862 1.00 0.00 H ATOM 550 HG21 VAL A 33 9.036 18.473 16.892 1.00 0.00 H ATOM 551 HG22 VAL A 33 7.310 18.203 17.240 1.00 0.00 H ATOM 552 HG23 VAL A 33 8.049 17.486 15.786 1.00 0.00 H ATOM 553 H VAL A 33 5.639 20.786 17.283 1.00 0.00 H ATOM 554 N ARG A 34 8.343 22.939 15.477 1.00 13.39 N ATOM 555 CA ARG A 34 8.122 24.199 14.767 1.00 13.12 C ATOM 556 C ARG A 34 9.326 24.409 13.868 1.00 13.32 C ATOM 557 O ARG A 34 10.268 23.638 13.899 1.00 12.22 O ATOM 558 CB ARG A 34 8.022 25.333 15.798 1.00 11.81 C ATOM 559 CG ARG A 34 9.265 25.449 16.696 1.00 12.56 C ATOM 560 CD ARG A 34 9.216 26.535 17.711 1.00 12.55 C ATOM 561 NE ARG A 34 10.403 26.547 18.621 1.00 15.34 N ATOM 562 CZ ARG A 34 11.604 27.082 18.331 1.00 13.10 C ATOM 563 NH1 ARG A 34 12.567 27.032 19.236 1.00 14.05 N ATOM 564 NH2 ARG A 34 11.828 27.689 17.172 1.00 13.03 N ATOM 565 HA ARG A 34 7.205 24.183 14.179 1.00 0.00 H ATOM 566 HB2 ARG A 34 7.890 26.275 15.265 1.00 0.00 H ATOM 567 HB3 ARG A 34 7.153 25.150 16.431 1.00 0.00 H ATOM 568 HG2 ARG A 34 9.391 24.502 17.221 1.00 0.00 H ATOM 569 HG3 ARG A 34 10.129 25.625 16.055 1.00 0.00 H ATOM 570 HD2 ARG A 34 8.318 26.405 18.315 1.00 0.00 H ATOM 571 HD3 ARG A 34 9.168 27.492 17.192 1.00 0.00 H ATOM 572 HE ARG A 34 10.291 26.105 19.556 1.00 0.00 H ATOM 573 HH12 ARG A 34 13.500 27.441 19.026 1.00 0.00 H ATOM 574 HH11 ARG A 34 12.392 26.584 20.158 1.00 0.00 H ATOM 575 HH22 ARG A 34 12.764 28.095 16.970 1.00 0.00 H ATOM 576 HH21 ARG A 34 11.068 27.759 16.466 1.00 0.00 H ATOM 577 H ARG A 34 9.311 22.662 15.736 1.00 0.00 H ATOM 578 N GLU A 35 9.261 25.415 12.995 1.00 14.21 N ATOM 579 CA GLU A 35 10.386 25.731 12.141 1.00 14.46 C ATOM 580 C GLU A 35 11.490 26.336 13.007 1.00 13.91 C ATOM 581 O GLU A 35 11.225 26.913 14.048 1.00 13.73 O ATOM 582 CB GLU A 35 9.989 26.803 11.152 1.00 14.82 C ATOM 583 CG GLU A 35 9.239 26.277 9.973 1.00 18.47 C ATOM 584 CD GLU A 35 8.833 27.411 9.022 1.00 26.54 C ATOM 585 OE1 GLU A 35 8.003 27.158 8.133 1.00 26.91 O ATOM 586 OE2 GLU A 35 9.329 28.560 9.191 1.00 27.30 O ATOM 587 HA GLU A 35 10.710 24.826 11.628 1.00 0.00 H ATOM 588 HB2 GLU A 35 9.360 27.530 11.665 1.00 0.00 H ATOM 589 HB3 GLU A 35 10.894 27.295 10.794 1.00 0.00 H ATOM 590 HG2 GLU A 35 9.872 25.571 9.435 1.00 0.00 H ATOM 591 HG3 GLU A 35 8.341 25.766 10.321 1.00 0.00 H ATOM 592 H GLU A 35 8.390 25.980 12.927 1.00 0.00 H ATOM 593 N SER A 36 12.739 26.100 12.621 1.00 15.25 N ATOM 594 CA SER A 36 13.889 26.717 13.287 1.00 16.80 C ATOM 595 C SER A 36 13.798 28.240 12.929 1.00 18.13 C ATOM 596 O SER A 36 13.358 28.598 11.812 1.00 18.29 O ATOM 597 CB SER A 36 15.201 26.182 12.660 1.00 16.74 C ATOM 598 OG SER A 36 16.276 27.065 12.957 1.00 19.13 O ATOM 599 HA SER A 36 13.885 26.515 14.358 1.00 0.00 H ATOM 600 HB2 SER A 36 15.081 26.109 11.579 1.00 0.00 H ATOM 601 HB3 SER A 36 15.420 25.195 13.068 1.00 0.00 H ATOM 602 HG SER A 36 16.386 27.131 13.939 1.00 0.00 H ATOM 603 H SER A 36 12.906 25.457 11.821 1.00 0.00 H ATOM 604 N GLU A 37 14.187 29.121 13.837 1.00 17.53 N ATOM 605 CA GLU A 37 14.146 30.552 13.488 1.00 20.25 C ATOM 606 C GLU A 37 15.167 30.955 12.401 1.00 22.03 C ATOM 607 O GLU A 37 14.838 31.706 11.426 1.00 21.26 O ATOM 608 CB GLU A 37 14.410 31.424 14.713 1.00 16.26 C ATOM 609 CG GLU A 37 13.170 31.566 15.576 1.00 15.83 C ATOM 610 CD GLU A 37 13.386 32.406 16.789 1.00 16.92 C ATOM 611 OE1 GLU A 37 14.490 32.929 16.983 1.00 17.17 O ATOM 612 OE2 GLU A 37 12.417 32.541 17.583 1.00 16.98 O ATOM 613 HA GLU A 37 13.142 30.714 13.097 1.00 0.00 H ATOM 614 HB2 GLU A 37 15.204 30.970 15.306 1.00 0.00 H ATOM 615 HB3 GLU A 37 14.726 32.413 14.382 1.00 0.00 H ATOM 616 HG2 GLU A 37 12.381 32.021 14.976 1.00 0.00 H ATOM 617 HG3 GLU A 37 12.855 30.572 15.895 1.00 0.00 H ATOM 618 H GLU A 37 14.514 28.811 14.774 1.00 0.00 H ATOM 619 N THR A 38 16.381 30.421 12.556 1.00 22.88 N ATOM 620 CA THR A 38 17.479 30.794 11.695 1.00 24.12 C ATOM 621 C THR A 38 18.067 29.724 10.777 1.00 26.08 C ATOM 622 O THR A 38 18.772 30.071 9.817 1.00 25.54 O ATOM 623 CB THR A 38 18.595 31.471 12.547 1.00 23.12 C ATOM 624 OG1 THR A 38 19.176 30.530 13.476 1.00 24.61 O ATOM 625 CG2 THR A 38 18.023 32.634 13.377 1.00 24.08 C ATOM 626 HA THR A 38 17.030 31.485 10.981 1.00 0.00 H ATOM 627 HB THR A 38 19.348 31.834 11.848 1.00 0.00 H ATOM 628 HG1 THR A 38 18.472 30.191 14.084 1.00 0.00 H ATOM 629 HG23 THR A 38 17.574 33.369 12.709 1.00 0.00 H ATOM 630 HG21 THR A 38 17.266 32.252 14.061 1.00 0.00 H ATOM 631 HG22 THR A 38 18.826 33.102 13.946 1.00 0.00 H ATOM 632 H THR A 38 16.539 29.723 13.311 1.00 0.00 H ATOM 633 N THR A 39 17.775 28.440 11.012 1.00 25.91 N ATOM 634 CA THR A 39 18.344 27.409 10.111 1.00 26.57 C ATOM 635 C THR A 39 17.378 26.977 9.030 1.00 26.79 C ATOM 636 O THR A 39 16.312 26.425 9.281 1.00 26.77 O ATOM 637 CB THR A 39 18.907 26.171 10.871 1.00 26.16 C ATOM 638 OG1 THR A 39 19.778 26.620 11.911 1.00 27.71 O ATOM 639 CG2 THR A 39 19.678 25.214 9.896 1.00 23.96 C ATOM 640 HA THR A 39 19.187 27.900 9.625 1.00 0.00 H ATOM 641 HB THR A 39 18.076 25.611 11.300 1.00 0.00 H ATOM 642 HG1 THR A 39 20.139 25.837 12.398 1.00 0.00 H ATOM 643 HG23 THR A 39 19.003 24.879 9.108 1.00 0.00 H ATOM 644 HG21 THR A 39 20.518 25.749 9.453 1.00 0.00 H ATOM 645 HG22 THR A 39 20.047 24.352 10.451 1.00 0.00 H ATOM 646 H THR A 39 17.163 28.171 11.809 1.00 0.00 H ATOM 647 N LYS A 40 17.738 27.282 7.802 1.00 27.69 N ATOM 648 CA LYS A 40 16.880 26.927 6.700 1.00 29.05 C ATOM 649 C LYS A 40 16.776 25.406 6.663 1.00 28.63 C ATOM 650 O LYS A 40 17.728 24.683 7.018 1.00 27.69 O ATOM 651 CB LYS A 40 17.409 27.490 5.358 1.00 33.72 C ATOM 652 CG LYS A 40 18.750 26.901 4.910 1.00 41.58 C ATOM 653 CD LYS A 40 19.817 26.829 6.055 1.00 49.80 C ATOM 654 CE LYS A 40 20.659 25.548 5.934 1.00 53.15 C ATOM 655 NZ LYS A 40 21.505 25.279 7.121 1.00 55.30 N ATOM 656 HA LYS A 40 15.893 27.367 6.843 1.00 0.00 H ATOM 657 HB2 LYS A 40 16.669 27.281 4.585 1.00 0.00 H ATOM 658 HB3 LYS A 40 17.528 28.568 5.464 1.00 0.00 H ATOM 659 HG2 LYS A 40 18.576 25.892 4.537 1.00 0.00 H ATOM 660 HG3 LYS A 40 19.148 27.521 4.106 1.00 0.00 H ATOM 661 HD2 LYS A 40 20.473 27.697 5.988 1.00 0.00 H ATOM 662 HD3 LYS A 40 19.308 26.833 7.019 1.00 0.00 H ATOM 663 HE2 LYS A 40 21.307 25.643 5.063 1.00 0.00 H ATOM 664 HE3 LYS A 40 19.984 24.704 5.793 1.00 0.00 H ATOM 665 HZ1 LYS A 40 22.163 26.072 7.263 1.00 0.00 H ATOM 666 HZ2 LYS A 40 20.900 25.175 7.960 1.00 0.00 H ATOM 667 HZ3 LYS A 40 22.044 24.402 6.970 1.00 0.00 H ATOM 668 H LYS A 40 18.636 27.776 7.628 1.00 0.00 H ATOM 669 N GLY A 41 15.565 24.960 6.349 1.00 27.56 N ATOM 670 CA GLY A 41 15.279 23.556 6.265 1.00 27.23 C ATOM 671 C GLY A 41 15.423 22.821 7.573 1.00 27.12 C ATOM 672 O GLY A 41 15.483 21.591 7.518 1.00 28.72 O ATOM 673 HA3 GLY A 41 15.963 23.109 5.543 1.00 0.00 H ATOM 674 HA2 GLY A 41 14.254 23.435 5.915 1.00 0.00 H ATOM 675 H GLY A 41 14.806 25.645 6.159 1.00 0.00 H ATOM 676 N ALA A 42 15.573 23.509 8.711 1.00 24.02 N ATOM 677 CA ALA A 42 15.657 22.766 9.959 1.00 20.63 C ATOM 678 C ALA A 42 14.418 23.026 10.813 1.00 19.56 C ATOM 679 O ALA A 42 13.696 23.983 10.561 1.00 19.90 O ATOM 680 CB ALA A 42 16.872 23.121 10.690 1.00 19.34 C ATOM 681 HA ALA A 42 15.701 21.702 9.727 1.00 0.00 H ATOM 682 HB1 ALA A 42 17.744 22.886 10.079 1.00 0.00 H ATOM 683 HB2 ALA A 42 16.861 24.188 10.914 1.00 0.00 H ATOM 684 HB3 ALA A 42 16.914 22.554 11.620 1.00 0.00 H ATOM 685 H ALA A 42 15.628 24.548 8.703 1.00 0.00 H ATOM 686 N TYR A 43 14.145 22.157 11.787 1.00 16.00 N ATOM 687 CA TYR A 43 12.994 22.306 12.688 1.00 15.40 C ATOM 688 C TYR A 43 13.517 22.370 14.094 1.00 13.14 C ATOM 689 O TYR A 43 14.668 22.064 14.304 1.00 13.89 O ATOM 690 CB TYR A 43 12.052 21.090 12.600 1.00 15.91 C ATOM 691 CG TYR A 43 11.500 20.847 11.234 1.00 16.09 C ATOM 692 CD1 TYR A 43 12.124 19.922 10.365 1.00 22.66 C ATOM 693 CD2 TYR A 43 10.441 21.611 10.758 1.00 19.07 C ATOM 694 CE1 TYR A 43 11.708 19.784 9.054 1.00 26.46 C ATOM 695 CE2 TYR A 43 10.018 21.502 9.474 1.00 21.16 C ATOM 696 CZ TYR A 43 10.646 20.595 8.621 1.00 28.95 C ATOM 697 OH TYR A 43 10.229 20.533 7.320 1.00 37.89 O ATOM 698 HA TYR A 43 12.443 23.204 12.406 1.00 0.00 H ATOM 699 HB3 TYR A 43 11.218 21.252 13.283 1.00 0.00 H ATOM 700 HB2 TYR A 43 12.606 20.204 12.909 1.00 0.00 H ATOM 701 HD2 TYR A 43 9.942 22.310 11.429 1.00 0.00 H ATOM 702 HE2 TYR A 43 9.195 22.118 9.112 1.00 0.00 H ATOM 703 HE1 TYR A 43 12.186 19.072 8.381 1.00 0.00 H ATOM 704 HD1 TYR A 43 12.946 19.308 10.735 1.00 0.00 H ATOM 705 HH TYR A 43 10.356 21.416 6.891 1.00 0.00 H ATOM 706 H TYR A 43 14.774 21.339 11.914 1.00 0.00 H ATOM 707 N CYS A 44 12.667 22.698 15.046 1.00 12.14 N ATOM 708 CA CYS A 44 13.037 22.698 16.441 1.00 12.23 C ATOM 709 C CYS A 44 11.971 21.981 17.173 1.00 12.06 C ATOM 710 O CYS A 44 10.808 22.146 16.869 1.00 12.39 O ATOM 711 CB CYS A 44 13.214 24.107 17.069 1.00 14.37 C ATOM 712 SG CYS A 44 14.703 24.943 16.398 1.00 19.16 S ATOM 713 HA CYS A 44 14.014 22.220 16.517 1.00 0.00 H ATOM 714 HB2 CYS A 44 13.318 24.006 18.149 1.00 0.00 H ATOM 715 HB3 CYS A 44 12.334 24.711 16.845 1.00 0.00 H ATOM 716 HG CYS A 44 15.821 24.186 16.684 1.00 0.00 H ATOM 717 H CYS A 44 11.697 22.966 14.783 1.00 0.00 H ATOM 718 N LEU A 45 12.390 21.136 18.105 1.00 11.25 N ATOM 719 CA LEU A 45 11.494 20.367 18.953 1.00 11.98 C ATOM 720 C LEU A 45 11.558 21.088 20.269 1.00 12.15 C ATOM 721 O LEU A 45 12.630 21.126 20.871 1.00 12.34 O ATOM 722 CB LEU A 45 12.000 18.897 19.076 1.00 11.80 C ATOM 723 CG LEU A 45 11.403 17.976 20.159 1.00 12.49 C ATOM 724 CD1 LEU A 45 9.898 17.719 19.843 1.00 10.91 C ATOM 725 CD2 LEU A 45 12.211 16.623 20.161 1.00 12.60 C ATOM 726 HA LEU A 45 10.476 20.298 18.568 1.00 0.00 H ATOM 727 HB2 LEU A 45 11.816 18.417 18.115 1.00 0.00 H ATOM 728 HB3 LEU A 45 13.074 18.945 19.257 1.00 0.00 H ATOM 729 HG LEU A 45 11.474 18.440 21.143 1.00 0.00 H ATOM 730 HD21 LEU A 45 12.129 16.151 19.182 1.00 0.00 H ATOM 731 HD22 LEU A 45 13.259 16.827 20.380 1.00 0.00 H ATOM 732 HD23 LEU A 45 11.802 15.958 20.922 1.00 0.00 H ATOM 733 HD11 LEU A 45 9.363 18.668 19.834 1.00 0.00 H ATOM 734 HD12 LEU A 45 9.809 17.242 18.867 1.00 0.00 H ATOM 735 HD13 LEU A 45 9.474 17.068 20.607 1.00 0.00 H ATOM 736 H LEU A 45 13.415 21.017 18.236 1.00 0.00 H ATOM 737 N SER A 46 10.447 21.646 20.738 1.00 9.99 N ATOM 738 CA SER A 46 10.457 22.386 22.001 1.00 10.85 C ATOM 739 C SER A 46 9.779 21.529 23.033 1.00 11.21 C ATOM 740 O SER A 46 8.702 20.995 22.774 1.00 12.23 O ATOM 741 CB SER A 46 9.794 23.762 21.799 1.00 12.53 C ATOM 742 OG SER A 46 10.539 24.520 20.834 1.00 11.06 O ATOM 743 HA SER A 46 11.468 22.594 22.351 1.00 0.00 H ATOM 744 HB2 SER A 46 9.777 24.299 22.747 1.00 0.00 H ATOM 745 HB3 SER A 46 8.773 23.624 21.442 1.00 0.00 H ATOM 746 HG SER A 46 11.466 24.646 21.159 1.00 0.00 H ATOM 747 H SER A 46 9.560 21.556 20.202 1.00 0.00 H ATOM 748 N VAL A 47 10.406 21.344 24.183 1.00 10.97 N ATOM 749 CA VAL A 47 9.910 20.381 25.184 1.00 10.80 C ATOM 750 C VAL A 47 9.890 20.966 26.574 1.00 11.09 C ATOM 751 O VAL A 47 10.839 21.653 26.996 1.00 11.92 O ATOM 752 CB VAL A 47 10.868 19.075 25.168 1.00 10.21 C ATOM 753 CG1 VAL A 47 10.310 17.951 26.090 1.00 13.81 C ATOM 754 CG2 VAL A 47 11.104 18.586 23.763 1.00 9.79 C ATOM 755 HA VAL A 47 8.885 20.118 24.923 1.00 0.00 H ATOM 756 HB VAL A 47 11.837 19.368 25.572 1.00 0.00 H ATOM 757 HG11 VAL A 47 10.245 18.321 27.113 1.00 0.00 H ATOM 758 HG12 VAL A 47 9.319 17.658 25.744 1.00 0.00 H ATOM 759 HG13 VAL A 47 10.977 17.090 26.055 1.00 0.00 H ATOM 760 HG21 VAL A 47 10.150 18.322 23.306 1.00 0.00 H ATOM 761 HG22 VAL A 47 11.582 19.374 23.181 1.00 0.00 H ATOM 762 HG23 VAL A 47 11.751 17.709 23.789 1.00 0.00 H ATOM 763 H VAL A 47 11.268 21.890 24.386 1.00 0.00 H ATOM 764 N SER A 48 8.825 20.683 27.318 1.00 11.42 N ATOM 765 CA SER A 48 8.735 21.185 28.691 1.00 13.86 C ATOM 766 C SER A 48 9.432 20.188 29.629 1.00 15.00 C ATOM 767 O SER A 48 9.459 18.964 29.345 1.00 13.82 O ATOM 768 CB SER A 48 7.254 21.426 29.136 1.00 13.68 C ATOM 769 OG SER A 48 6.560 20.219 29.456 1.00 15.33 O ATOM 770 HA SER A 48 9.233 22.153 28.740 1.00 0.00 H ATOM 771 HB2 SER A 48 6.725 21.926 28.325 1.00 0.00 H ATOM 772 HB3 SER A 48 7.257 22.069 30.016 1.00 0.00 H ATOM 773 HG SER A 48 7.025 19.759 30.199 1.00 0.00 H ATOM 774 H SER A 48 8.055 20.105 26.925 1.00 0.00 H ATOM 775 N ASP A 49 10.016 20.732 30.700 1.00 15.76 N ATOM 776 CA ASP A 49 10.668 19.932 31.733 1.00 16.74 C ATOM 777 C ASP A 49 10.314 20.585 33.054 1.00 18.21 C ATOM 778 O ASP A 49 9.795 21.711 33.099 1.00 17.96 O ATOM 779 CB ASP A 49 12.185 19.918 31.603 1.00 19.70 C ATOM 780 CG ASP A 49 12.842 18.775 32.414 1.00 22.52 C ATOM 781 OD1 ASP A 49 12.149 17.876 32.986 1.00 23.12 O ATOM 782 OD2 ASP A 49 14.089 18.735 32.437 1.00 21.40 O ATOM 783 HA ASP A 49 10.331 18.899 31.649 1.00 0.00 H ATOM 784 HB2 ASP A 49 12.444 19.794 30.552 1.00 0.00 H ATOM 785 HB3 ASP A 49 12.575 20.870 31.962 1.00 0.00 H ATOM 786 H ASP A 49 10.006 21.767 30.802 1.00 0.00 H ATOM 787 N PHE A 50 10.579 19.856 34.127 1.00 18.77 N ATOM 788 CA PHE A 50 10.310 20.327 35.467 1.00 20.91 C ATOM 789 C PHE A 50 11.261 19.640 36.470 1.00 22.45 C ATOM 790 O PHE A 50 11.542 18.423 36.372 1.00 22.06 O ATOM 791 CB PHE A 50 8.846 20.009 35.881 1.00 20.33 C ATOM 792 CG PHE A 50 8.521 20.404 37.305 1.00 19.99 C ATOM 793 CD1 PHE A 50 8.817 19.537 38.381 1.00 19.44 C ATOM 794 CD2 PHE A 50 8.040 21.687 37.585 1.00 19.19 C ATOM 795 CE1 PHE A 50 8.649 19.968 39.737 1.00 24.07 C ATOM 796 CE2 PHE A 50 7.863 22.121 38.911 1.00 20.01 C ATOM 797 CZ PHE A 50 8.173 21.257 40.002 1.00 19.84 C ATOM 798 HA PHE A 50 10.465 21.406 35.479 1.00 0.00 H ATOM 799 HB2 PHE A 50 8.174 20.546 35.212 1.00 0.00 H ATOM 800 HB3 PHE A 50 8.682 18.937 35.774 1.00 0.00 H ATOM 801 HD2 PHE A 50 7.799 22.361 36.763 1.00 0.00 H ATOM 802 HE2 PHE A 50 7.486 23.125 39.106 1.00 0.00 H ATOM 803 HZ PHE A 50 8.041 21.596 41.029 1.00 0.00 H ATOM 804 HE1 PHE A 50 8.891 19.294 40.559 1.00 0.00 H ATOM 805 HD1 PHE A 50 9.177 18.529 38.177 1.00 0.00 H ATOM 806 H PHE A 50 10.995 18.911 34.001 1.00 0.00 H ATOM 807 N ASP A 51 11.824 20.471 37.355 1.00 24.05 N ATOM 808 CA ASP A 51 12.629 19.988 38.461 1.00 24.59 C ATOM 809 C ASP A 51 12.504 21.002 39.595 1.00 25.97 C ATOM 810 O ASP A 51 11.893 22.079 39.418 1.00 24.80 O ATOM 811 CB ASP A 51 14.065 19.530 38.090 1.00 27.65 C ATOM 812 CG ASP A 51 14.973 20.654 37.616 1.00 29.35 C ATOM 813 OD1 ASP A 51 15.750 20.427 36.647 1.00 32.57 O ATOM 814 OD2 ASP A 51 14.950 21.720 38.245 1.00 29.90 O ATOM 815 HA ASP A 51 12.237 19.033 38.812 1.00 0.00 H ATOM 816 HB2 ASP A 51 14.517 19.073 38.970 1.00 0.00 H ATOM 817 HB3 ASP A 51 13.993 18.789 37.294 1.00 0.00 H ATOM 818 H ASP A 51 11.680 21.495 37.247 1.00 0.00 H ATOM 819 N ASN A 52 12.863 20.545 40.802 1.00 27.19 N ATOM 820 CA ASN A 52 12.760 21.366 41.994 1.00 29.44 C ATOM 821 C ASN A 52 13.790 22.473 41.920 1.00 30.43 C ATOM 822 O ASN A 52 13.526 23.567 42.438 1.00 32.06 O ATOM 823 CB ASN A 52 12.936 20.530 43.296 1.00 32.08 C ATOM 824 CG ASN A 52 11.778 19.512 43.533 1.00 31.08 C ATOM 825 OD1 ASN A 52 10.693 19.640 42.940 1.00 27.86 O ATOM 826 ND2 ASN A 52 12.032 18.492 44.384 1.00 26.87 N ATOM 827 HA ASN A 52 11.759 21.796 42.034 1.00 0.00 H ATOM 828 HB2 ASN A 52 13.874 19.979 43.230 1.00 0.00 H ATOM 829 HB3 ASN A 52 12.976 21.213 44.144 1.00 0.00 H ATOM 830 HD22 ASN A 52 12.956 18.427 44.857 1.00 0.00 H ATOM 831 HD21 ASN A 52 11.303 17.772 44.565 1.00 0.00 H ATOM 832 H ASN A 52 13.226 19.574 40.887 1.00 0.00 H ATOM 833 N ALA A 53 14.902 22.216 41.211 1.00 30.65 N ATOM 834 CA ALA A 53 15.967 23.233 41.020 1.00 31.77 C ATOM 835 C ALA A 53 15.477 24.439 40.144 1.00 31.51 C ATOM 836 O ALA A 53 15.497 25.620 40.549 1.00 32.69 O ATOM 837 CB ALA A 53 17.240 22.577 40.365 1.00 30.62 C ATOM 838 HA ALA A 53 16.225 23.621 42.006 1.00 0.00 H ATOM 839 HB1 ALA A 53 17.615 21.787 41.015 1.00 0.00 H ATOM 840 HB2 ALA A 53 16.972 22.156 39.396 1.00 0.00 H ATOM 841 HB3 ALA A 53 18.011 23.336 40.232 1.00 0.00 H ATOM 842 H ALA A 53 15.020 21.276 40.783 1.00 0.00 H ATOM 843 N LYS A 54 14.907 24.103 39.001 1.00 29.82 N ATOM 844 CA LYS A 54 14.443 25.094 38.058 1.00 29.91 C ATOM 845 C LYS A 54 12.920 25.297 37.967 1.00 28.71 C ATOM 846 O LYS A 54 12.500 26.271 37.309 1.00 29.81 O ATOM 847 CB LYS A 54 14.910 24.713 36.651 1.00 28.01 C ATOM 848 CG LYS A 54 16.338 24.662 36.472 1.00 28.58 C ATOM 849 CD LYS A 54 16.548 24.234 35.095 1.00 33.79 C ATOM 850 CE LYS A 54 17.999 24.205 34.800 1.00 34.90 C ATOM 851 NZ LYS A 54 18.273 24.712 33.431 1.00 38.53 N ATOM 852 HA LYS A 54 14.864 26.026 38.436 1.00 0.00 H ATOM 853 HB2 LYS A 54 14.505 23.729 36.416 1.00 0.00 H ATOM 854 HB3 LYS A 54 14.508 25.446 35.952 1.00 0.00 H ATOM 855 HG2 LYS A 54 16.777 25.646 36.636 1.00 0.00 H ATOM 856 HG3 LYS A 54 16.783 23.947 37.164 1.00 0.00 H ATOM 857 HD2 LYS A 54 16.129 23.237 34.957 1.00 0.00 H ATOM 858 HD3 LYS A 54 16.054 24.931 34.419 1.00 0.00 H ATOM 859 HE2 LYS A 54 18.359 23.179 34.879 1.00 0.00 H ATOM 860 HE3 LYS A 54 18.523 24.830 35.523 1.00 0.00 H ATOM 861 HZ1 LYS A 54 17.779 24.116 32.737 1.00 0.00 H ATOM 862 HZ2 LYS A 54 17.935 25.692 33.352 1.00 0.00 H ATOM 863 HZ3 LYS A 54 19.297 24.681 33.250 1.00 0.00 H ATOM 864 H LYS A 54 14.789 23.095 38.773 1.00 0.00 H ATOM 865 N GLY A 55 12.111 24.378 38.524 1.00 26.81 N ATOM 866 CA GLY A 55 10.665 24.487 38.368 1.00 24.34 C ATOM 867 C GLY A 55 10.366 24.199 36.869 1.00 22.27 C ATOM 868 O GLY A 55 11.171 23.530 36.195 1.00 20.97 O ATOM 869 HA3 GLY A 55 10.331 25.490 38.634 1.00 0.00 H ATOM 870 HA2 GLY A 55 10.160 23.757 39.001 1.00 0.00 H ATOM 871 H GLY A 55 12.517 23.589 39.066 1.00 0.00 H ATOM 872 N LEU A 56 9.317 24.803 36.302 1.00 19.99 N ATOM 873 CA LEU A 56 8.934 24.532 34.911 1.00 19.95 C ATOM 874 C LEU A 56 9.843 25.257 33.933 1.00 18.84 C ATOM 875 O LEU A 56 10.147 26.421 34.127 1.00 18.64 O ATOM 876 CB LEU A 56 7.428 24.874 34.697 1.00 22.71 C ATOM 877 CG LEU A 56 6.707 24.654 33.359 1.00 24.26 C ATOM 878 CD1 LEU A 56 6.900 23.273 32.898 1.00 26.71 C ATOM 879 CD2 LEU A 56 5.222 24.917 33.472 1.00 25.60 C ATOM 880 HA LEU A 56 9.063 23.468 34.710 1.00 0.00 H ATOM 881 HB2 LEU A 56 6.878 24.290 35.435 1.00 0.00 H ATOM 882 HB3 LEU A 56 7.324 25.935 34.924 1.00 0.00 H ATOM 883 HG LEU A 56 7.137 25.357 32.646 1.00 0.00 H ATOM 884 HD21 LEU A 56 4.790 24.241 34.210 1.00 0.00 H ATOM 885 HD22 LEU A 56 5.060 25.949 33.784 1.00 0.00 H ATOM 886 HD23 LEU A 56 4.750 24.750 32.504 1.00 0.00 H ATOM 887 HD11 LEU A 56 7.965 23.081 32.765 1.00 0.00 H ATOM 888 HD12 LEU A 56 6.495 22.584 33.639 1.00 0.00 H ATOM 889 HD13 LEU A 56 6.383 23.133 31.949 1.00 0.00 H ATOM 890 H LEU A 56 8.759 25.481 36.859 1.00 0.00 H ATOM 891 N ASN A 57 10.353 24.563 32.930 1.00 16.50 N ATOM 892 CA ASN A 57 11.256 25.209 32.011 1.00 15.47 C ATOM 893 C ASN A 57 11.150 24.551 30.680 1.00 15.71 C ATOM 894 O ASN A 57 10.515 23.511 30.571 1.00 16.00 O ATOM 895 CB ASN A 57 12.699 25.225 32.582 1.00 16.22 C ATOM 896 CG ASN A 57 13.313 23.816 32.756 1.00 17.82 C ATOM 897 OD1 ASN A 57 14.080 23.333 31.902 1.00 22.19 O ATOM 898 ND2 ASN A 57 12.963 23.160 33.838 1.00 17.96 N ATOM 899 HA ASN A 57 10.980 26.255 31.879 1.00 0.00 H ATOM 900 HB2 ASN A 57 13.332 25.795 31.903 1.00 0.00 H ATOM 901 HB3 ASN A 57 12.679 25.715 33.555 1.00 0.00 H ATOM 902 HD22 ASN A 57 12.320 23.599 34.527 1.00 0.00 H ATOM 903 HD21 ASN A 57 13.329 22.201 34.006 1.00 0.00 H ATOM 904 H ASN A 57 10.105 23.561 32.805 1.00 0.00 H ATOM 905 N VAL A 58 11.846 25.081 29.682 1.00 13.97 N ATOM 906 CA VAL A 58 11.721 24.577 28.314 1.00 13.60 C ATOM 907 C VAL A 58 13.070 24.372 27.598 1.00 13.92 C ATOM 908 O VAL A 58 13.976 25.233 27.707 1.00 14.32 O ATOM 909 CB VAL A 58 10.890 25.611 27.481 1.00 13.35 C ATOM 910 CG1 VAL A 58 10.725 25.185 26.026 1.00 11.41 C ATOM 911 CG2 VAL A 58 9.590 25.846 28.142 1.00 12.70 C ATOM 912 HA VAL A 58 11.239 23.602 28.383 1.00 0.00 H ATOM 913 HB VAL A 58 11.441 26.551 27.451 1.00 0.00 H ATOM 914 HG11 VAL A 58 11.707 25.090 25.563 1.00 0.00 H ATOM 915 HG12 VAL A 58 10.208 24.226 25.986 1.00 0.00 H ATOM 916 HG13 VAL A 58 10.142 25.936 25.493 1.00 0.00 H ATOM 917 HG21 VAL A 58 9.042 24.906 28.207 1.00 0.00 H ATOM 918 HG22 VAL A 58 9.759 26.239 29.145 1.00 0.00 H ATOM 919 HG23 VAL A 58 9.013 26.566 27.561 1.00 0.00 H ATOM 920 H VAL A 58 12.494 25.871 29.876 1.00 0.00 H ATOM 921 N LYS A 59 13.218 23.254 26.876 1.00 13.28 N ATOM 922 CA LYS A 59 14.416 22.965 26.099 1.00 12.44 C ATOM 923 C LYS A 59 14.066 22.941 24.629 1.00 12.84 C ATOM 924 O LYS A 59 12.931 22.578 24.274 1.00 13.03 O ATOM 925 CB LYS A 59 15.019 21.630 26.508 1.00 13.71 C ATOM 926 CG LYS A 59 15.517 21.619 27.933 1.00 18.99 C ATOM 927 CD LYS A 59 16.592 22.605 28.016 1.00 28.87 C ATOM 928 CE LYS A 59 17.302 22.470 29.317 1.00 39.87 C ATOM 929 NZ LYS A 59 18.200 23.644 29.598 1.00 45.14 N ATOM 930 HA LYS A 59 15.153 23.745 26.290 1.00 0.00 H ATOM 931 HB2 LYS A 59 14.258 20.857 26.400 1.00 0.00 H ATOM 932 HB3 LYS A 59 15.856 21.409 25.846 1.00 0.00 H ATOM 933 HG2 LYS A 59 14.709 21.887 28.614 1.00 0.00 H ATOM 934 HG3 LYS A 59 15.895 20.630 28.190 1.00 0.00 H ATOM 935 HD2 LYS A 59 17.297 22.442 27.200 1.00 0.00 H ATOM 936 HD3 LYS A 59 16.171 23.607 27.936 1.00 0.00 H ATOM 937 HE2 LYS A 59 17.906 21.563 29.295 1.00 0.00 H ATOM 938 HE3 LYS A 59 16.563 22.394 30.115 1.00 0.00 H ATOM 939 HZ1 LYS A 59 18.914 23.721 28.846 1.00 0.00 H ATOM 940 HZ2 LYS A 59 17.632 24.514 29.628 1.00 0.00 H ATOM 941 HZ3 LYS A 59 18.673 23.506 30.514 1.00 0.00 H ATOM 942 H LYS A 59 12.443 22.561 26.870 1.00 0.00 H ATOM 943 N HIS A 60 15.034 23.291 23.766 1.00 11.47 N ATOM 944 CA HIS A 60 14.843 23.330 22.321 1.00 12.31 C ATOM 945 C HIS A 60 15.928 22.482 21.693 1.00 12.72 C ATOM 946 O HIS A 60 17.084 22.607 22.114 1.00 12.70 O ATOM 947 CB HIS A 60 14.917 24.814 21.799 1.00 12.84 C ATOM 948 CG HIS A 60 13.938 25.746 22.497 1.00 11.19 C ATOM 949 ND1 HIS A 60 12.594 25.804 22.188 1.00 9.32 N ATOM 950 CD2 HIS A 60 14.112 26.590 23.543 1.00 12.09 C ATOM 951 CE1 HIS A 60 11.985 26.633 23.018 1.00 11.52 C ATOM 952 NE2 HIS A 60 12.886 27.121 23.854 1.00 12.01 N ATOM 953 HA HIS A 60 13.861 22.940 22.053 1.00 0.00 H ATOM 954 HB2 HIS A 60 15.928 25.188 21.962 1.00 0.00 H ATOM 955 HB3 HIS A 60 14.697 24.817 20.731 1.00 0.00 H ATOM 956 HD2 HIS A 60 15.054 26.807 24.046 1.00 0.00 H ATOM 957 HE1 HIS A 60 10.922 26.873 23.014 1.00 0.00 H ATOM 958 H HIS A 60 15.967 23.547 24.148 1.00 0.00 H ATOM 959 N TYR A 61 15.559 21.607 20.747 1.00 11.97 N ATOM 960 CA TYR A 61 16.488 20.686 20.061 1.00 12.41 C ATOM 961 C TYR A 61 16.341 20.812 18.574 1.00 12.78 C ATOM 962 O TYR A 61 15.256 20.719 18.013 1.00 13.80 O ATOM 963 CB TYR A 61 16.221 19.222 20.469 1.00 9.91 C ATOM 964 CG TYR A 61 16.197 19.030 21.962 1.00 9.72 C ATOM 965 CD1 TYR A 61 14.967 18.986 22.692 1.00 10.96 C ATOM 966 CD2 TYR A 61 17.390 18.913 22.694 1.00 11.11 C ATOM 967 CE1 TYR A 61 14.949 18.840 24.075 1.00 10.86 C ATOM 968 CE2 TYR A 61 17.382 18.765 24.087 1.00 11.93 C ATOM 969 CZ TYR A 61 16.174 18.733 24.756 1.00 12.75 C ATOM 970 OH TYR A 61 16.189 18.575 26.105 1.00 13.88 O ATOM 971 HA TYR A 61 17.501 20.958 20.357 1.00 0.00 H ATOM 972 HB3 TYR A 61 17.007 18.594 20.049 1.00 0.00 H ATOM 973 HB2 TYR A 61 15.257 18.917 20.062 1.00 0.00 H ATOM 974 HD2 TYR A 61 18.343 18.938 22.166 1.00 0.00 H ATOM 975 HE2 TYR A 61 18.319 18.676 24.637 1.00 0.00 H ATOM 976 HE1 TYR A 61 14.005 18.809 24.619 1.00 0.00 H ATOM 977 HD1 TYR A 61 14.024 19.069 22.152 1.00 0.00 H ATOM 978 HH TYR A 61 16.690 19.322 26.518 1.00 0.00 H ATOM 979 H TYR A 61 14.555 21.574 20.479 1.00 0.00 H ATOM 980 N LYS A 62 17.437 21.020 17.882 1.00 13.89 N ATOM 981 CA LYS A 62 17.350 21.150 16.451 1.00 13.55 C ATOM 982 C LYS A 62 17.242 19.783 15.762 1.00 14.12 C ATOM 983 O LYS A 62 17.946 18.848 16.104 1.00 13.72 O ATOM 984 CB LYS A 62 18.536 21.965 15.900 1.00 14.20 C ATOM 985 CG LYS A 62 18.370 22.233 14.410 1.00 20.86 C ATOM 986 CD LYS A 62 19.335 23.294 13.919 1.00 30.19 C ATOM 987 CE LYS A 62 18.933 24.646 14.532 1.00 35.32 C ATOM 988 NZ LYS A 62 19.941 25.744 14.294 1.00 39.93 N ATOM 989 HA LYS A 62 16.434 21.695 16.225 1.00 0.00 H ATOM 990 HB2 LYS A 62 18.592 22.916 16.429 1.00 0.00 H ATOM 991 HB3 LYS A 62 19.458 21.406 16.061 1.00 0.00 H ATOM 992 HG2 LYS A 62 18.553 21.309 13.862 1.00 0.00 H ATOM 993 HG3 LYS A 62 17.350 22.569 14.223 1.00 0.00 H ATOM 994 HD2 LYS A 62 20.349 23.038 14.226 1.00 0.00 H ATOM 995 HD3 LYS A 62 19.291 23.356 12.832 1.00 0.00 H ATOM 996 HE2 LYS A 62 18.814 24.515 15.608 1.00 0.00 H ATOM 997 HE3 LYS A 62 17.981 24.952 14.097 1.00 0.00 H ATOM 998 HZ1 LYS A 62 20.853 25.472 14.713 1.00 0.00 H ATOM 999 HZ2 LYS A 62 20.058 25.890 13.271 1.00 0.00 H ATOM 1000 HZ3 LYS A 62 19.604 26.624 14.734 1.00 0.00 H ATOM 1001 H LYS A 62 18.357 21.090 18.362 1.00 0.00 H ATOM 1002 N ILE A 63 16.317 19.692 14.822 1.00 14.43 N ATOM 1003 CA ILE A 63 16.060 18.498 14.038 1.00 15.72 C ATOM 1004 C ILE A 63 16.523 18.839 12.634 1.00 17.48 C ATOM 1005 O ILE A 63 16.043 19.795 12.014 1.00 15.95 O ATOM 1006 CB ILE A 63 14.517 18.129 13.981 1.00 15.23 C ATOM 1007 CG1 ILE A 63 13.999 17.697 15.372 1.00 15.63 C ATOM 1008 CG2 ILE A 63 14.270 17.059 12.913 1.00 16.15 C ATOM 1009 CD1 ILE A 63 12.468 17.462 15.434 1.00 11.12 C ATOM 1010 HA ILE A 63 16.573 17.644 14.479 1.00 0.00 H ATOM 1011 HB ILE A 63 13.951 19.016 13.697 1.00 0.00 H ATOM 1012 HG12 ILE A 63 14.499 16.770 15.651 1.00 0.00 H ATOM 1013 HG13 ILE A 63 14.255 18.476 16.090 1.00 0.00 H ATOM 1014 HD11 ILE A 63 11.949 18.384 15.171 1.00 0.00 H ATOM 1015 HD12 ILE A 63 12.194 16.675 14.731 1.00 0.00 H ATOM 1016 HD13 ILE A 63 12.188 17.162 16.444 1.00 0.00 H ATOM 1017 HG21 ILE A 63 14.583 17.439 11.941 1.00 0.00 H ATOM 1018 HG22 ILE A 63 14.843 16.165 13.157 1.00 0.00 H ATOM 1019 HG23 ILE A 63 13.208 16.815 12.884 1.00 0.00 H ATOM 1020 H ILE A 63 15.734 20.532 14.632 1.00 0.00 H ATOM 1021 N ARG A 64 17.491 18.068 12.151 1.00 18.62 N ATOM 1022 CA ARG A 64 18.052 18.231 10.814 1.00 20.81 C ATOM 1023 C ARG A 64 17.445 17.187 9.896 1.00 23.01 C ATOM 1024 O ARG A 64 17.044 16.086 10.294 1.00 18.82 O ATOM 1025 CB ARG A 64 19.593 18.070 10.853 1.00 24.45 C ATOM 1026 CG ARG A 64 20.323 18.794 12.022 1.00 30.80 C ATOM 1027 CD ARG A 64 20.167 20.333 11.975 1.00 42.30 C ATOM 1028 NE ARG A 64 19.542 20.874 10.748 1.00 53.67 N ATOM 1029 CZ ARG A 64 20.155 21.577 9.775 1.00 57.84 C ATOM 1030 NH1 ARG A 64 21.455 21.864 9.824 1.00 57.60 N ATOM 1031 NH2 ARG A 64 19.441 22.038 8.744 1.00 60.83 N ATOM 1032 HA ARG A 64 17.820 19.229 10.443 1.00 0.00 H ATOM 1033 HB2 ARG A 64 19.816 17.006 10.928 1.00 0.00 H ATOM 1034 HB3 ARG A 64 19.994 18.459 9.917 1.00 0.00 H ATOM 1035 HG2 ARG A 64 19.913 18.432 12.965 1.00 0.00 H ATOM 1036 HG3 ARG A 64 21.384 18.551 11.972 1.00 0.00 H ATOM 1037 HD2 ARG A 64 21.159 20.774 12.069 1.00 0.00 H ATOM 1038 HD3 ARG A 64 19.555 20.635 12.825 1.00 0.00 H ATOM 1039 HE ARG A 64 18.525 20.693 10.623 1.00 0.00 H ATOM 1040 HH12 ARG A 64 21.897 22.409 9.056 1.00 0.00 H ATOM 1041 HH11 ARG A 64 22.028 21.543 10.630 1.00 0.00 H ATOM 1042 HH22 ARG A 64 19.908 22.581 7.990 1.00 0.00 H ATOM 1043 HH21 ARG A 64 18.419 21.854 8.696 1.00 0.00 H ATOM 1044 H ARG A 64 17.868 17.311 12.756 1.00 0.00 H ATOM 1045 N LYS A 65 17.367 17.556 8.639 1.00 25.98 N ATOM 1046 CA LYS A 65 16.805 16.655 7.669 1.00 32.78 C ATOM 1047 C LYS A 65 17.781 16.615 6.492 1.00 36.50 C ATOM 1048 O LYS A 65 18.239 17.680 6.012 1.00 36.68 O ATOM 1049 CB LYS A 65 15.404 17.161 7.297 1.00 36.21 C ATOM 1050 CG LYS A 65 15.074 17.250 5.824 1.00 44.16 C ATOM 1051 CD LYS A 65 14.286 16.064 5.302 1.00 52.13 C ATOM 1052 CE LYS A 65 13.545 16.479 4.015 1.00 59.91 C ATOM 1053 NZ LYS A 65 12.030 16.356 4.081 1.00 65.17 N ATOM 1054 HA LYS A 65 16.678 15.637 8.038 1.00 0.00 H ATOM 1055 HB2 LYS A 65 14.679 16.489 7.757 1.00 0.00 H ATOM 1056 HB3 LYS A 65 15.292 18.159 7.720 1.00 0.00 H ATOM 1057 HG2 LYS A 65 14.488 18.153 5.657 1.00 0.00 H ATOM 1058 HG3 LYS A 65 16.008 17.316 5.265 1.00 0.00 H ATOM 1059 HD2 LYS A 65 14.966 15.241 5.083 1.00 0.00 H ATOM 1060 HD3 LYS A 65 13.563 15.746 6.053 1.00 0.00 H ATOM 1061 HE2 LYS A 65 13.901 15.848 3.200 1.00 0.00 H ATOM 1062 HE3 LYS A 65 13.792 17.519 3.802 1.00 0.00 H ATOM 1063 HZ1 LYS A 65 11.772 15.366 4.270 1.00 0.00 H ATOM 1064 HZ2 LYS A 65 11.667 16.962 4.844 1.00 0.00 H ATOM 1065 HZ3 LYS A 65 11.619 16.656 3.174 1.00 0.00 H ATOM 1066 H LYS A 65 17.709 18.493 8.346 1.00 0.00 H ATOM 1067 N LEU A 66 18.161 15.401 6.091 1.00 39.27 N ATOM 1068 CA LEU A 66 19.094 15.198 4.975 1.00 43.19 C ATOM 1069 C LEU A 66 18.380 15.228 3.619 1.00 45.42 C ATOM 1070 O LEU A 66 17.166 15.031 3.538 1.00 44.92 O ATOM 1071 CB LEU A 66 19.786 13.862 5.113 1.00 44.34 C ATOM 1072 CG LEU A 66 20.374 13.637 6.490 1.00 44.42 C ATOM 1073 CD1 LEU A 66 20.680 12.154 6.629 1.00 45.34 C ATOM 1074 CD2 LEU A 66 21.599 14.504 6.645 1.00 44.89 C ATOM 1075 HA LEU A 66 19.816 16.014 5.013 1.00 0.00 H ATOM 1076 HB2 LEU A 66 19.061 13.073 4.912 1.00 0.00 H ATOM 1077 HB3 LEU A 66 20.590 13.810 4.379 1.00 0.00 H ATOM 1078 HG LEU A 66 19.681 13.917 7.283 1.00 0.00 H ATOM 1079 HD21 LEU A 66 22.331 14.236 5.883 1.00 0.00 H ATOM 1080 HD22 LEU A 66 21.319 15.551 6.530 1.00 0.00 H ATOM 1081 HD23 LEU A 66 22.030 14.349 7.634 1.00 0.00 H ATOM 1082 HD11 LEU A 66 19.760 11.582 6.512 1.00 0.00 H ATOM 1083 HD12 LEU A 66 21.393 11.858 5.860 1.00 0.00 H ATOM 1084 HD13 LEU A 66 21.106 11.963 7.614 1.00 0.00 H ATOM 1085 H LEU A 66 17.783 14.568 6.586 1.00 0.00 H ATOM 1086 N ASP A 67 19.136 15.470 2.549 1.00 48.34 N ATOM 1087 CA ASP A 67 18.545 15.496 1.210 1.00 51.11 C ATOM 1088 C ASP A 67 18.338 14.044 0.877 1.00 50.79 C ATOM 1089 O ASP A 67 17.451 13.698 0.111 1.00 52.02 O ATOM 1090 CB ASP A 67 19.460 16.203 0.216 1.00 58.87 C ATOM 1091 CG ASP A 67 19.909 17.578 0.729 1.00 67.81 C ATOM 1092 OD1 ASP A 67 19.214 18.597 0.428 1.00 72.24 O ATOM 1093 OD2 ASP A 67 20.940 17.616 1.472 1.00 74.74 O ATOM 1094 HA ASP A 67 17.611 16.056 1.165 1.00 0.00 H ATOM 1095 HB2 ASP A 67 20.342 15.585 0.047 1.00 0.00 H ATOM 1096 HB3 ASP A 67 18.924 16.335 -0.724 1.00 0.00 H ATOM 1097 H ASP A 67 20.155 15.642 2.666 1.00 0.00 H ATOM 1098 N SER A 68 19.103 13.212 1.582 1.00 50.58 N ATOM 1099 CA SER A 68 19.017 11.745 1.546 1.00 50.05 C ATOM 1100 C SER A 68 17.688 11.312 2.295 1.00 48.66 C ATOM 1101 O SER A 68 17.362 10.119 2.383 1.00 50.79 O ATOM 1102 CB SER A 68 20.239 11.165 2.273 1.00 50.91 C ATOM 1103 OG SER A 68 21.228 12.173 2.332 1.00 52.83 O ATOM 1104 HA SER A 68 19.000 11.378 0.520 1.00 0.00 H ATOM 1105 HB2 SER A 68 20.621 10.303 1.726 1.00 0.00 H ATOM 1106 HB3 SER A 68 19.960 10.860 3.282 1.00 0.00 H ATOM 1107 HG SER A 68 22.028 11.822 2.798 1.00 0.00 H ATOM 1108 H SER A 68 19.818 13.634 2.208 1.00 0.00 H ATOM 1109 N GLY A 69 16.981 12.267 2.907 1.00 45.33 N ATOM 1110 CA GLY A 69 15.717 11.959 3.541 1.00 40.19 C ATOM 1111 C GLY A 69 15.702 11.624 5.003 1.00 35.79 C ATOM 1112 O GLY A 69 14.618 11.556 5.576 1.00 36.58 O ATOM 1113 HA3 GLY A 69 15.293 11.105 3.012 1.00 0.00 H ATOM 1114 HA2 GLY A 69 15.071 12.826 3.405 1.00 0.00 H ATOM 1115 H GLY A 69 17.343 13.242 2.928 1.00 0.00 H ATOM 1116 N GLY A 70 16.851 11.419 5.625 1.00 31.40 N ATOM 1117 CA GLY A 70 16.773 11.108 7.045 1.00 27.35 C ATOM 1118 C GLY A 70 16.571 12.318 7.967 1.00 24.03 C ATOM 1119 O GLY A 70 17.132 13.389 7.697 1.00 24.13 O ATOM 1120 HA3 GLY A 70 17.701 10.614 7.334 1.00 0.00 H ATOM 1121 HA2 GLY A 70 15.937 10.425 7.196 1.00 0.00 H ATOM 1122 H GLY A 70 17.762 11.477 5.126 1.00 0.00 H ATOM 1123 N PHE A 71 15.783 12.143 9.028 1.00 19.67 N ATOM 1124 CA PHE A 71 15.549 13.174 10.048 1.00 16.52 C ATOM 1125 C PHE A 71 16.283 12.795 11.321 1.00 15.08 C ATOM 1126 O PHE A 71 16.182 11.642 11.761 1.00 14.07 O ATOM 1127 CB PHE A 71 14.083 13.276 10.445 1.00 16.64 C ATOM 1128 CG PHE A 71 13.204 13.755 9.361 1.00 21.55 C ATOM 1129 CD1 PHE A 71 12.793 12.881 8.353 1.00 19.24 C ATOM 1130 CD2 PHE A 71 12.828 15.090 9.311 1.00 21.84 C ATOM 1131 CE1 PHE A 71 12.019 13.324 7.305 1.00 20.59 C ATOM 1132 CE2 PHE A 71 12.052 15.542 8.265 1.00 22.54 C ATOM 1133 CZ PHE A 71 11.650 14.647 7.255 1.00 20.68 C ATOM 1134 HA PHE A 71 15.890 14.115 9.617 1.00 0.00 H ATOM 1135 HB2 PHE A 71 13.741 12.288 10.754 1.00 0.00 H ATOM 1136 HB3 PHE A 71 14.001 13.966 11.284 1.00 0.00 H ATOM 1137 HD2 PHE A 71 13.145 15.778 10.095 1.00 0.00 H ATOM 1138 HE2 PHE A 71 11.751 16.589 8.220 1.00 0.00 H ATOM 1139 HZ PHE A 71 11.041 15.007 6.426 1.00 0.00 H ATOM 1140 HE1 PHE A 71 11.702 12.633 6.523 1.00 0.00 H ATOM 1141 HD1 PHE A 71 13.089 11.833 8.397 1.00 0.00 H ATOM 1142 H PHE A 71 15.307 11.225 9.140 1.00 0.00 H ATOM 1143 N TYR A 72 16.892 13.775 12.009 1.00 13.05 N ATOM 1144 CA TYR A 72 17.582 13.465 13.261 1.00 12.99 C ATOM 1145 C TYR A 72 17.907 14.683 14.141 1.00 12.30 C ATOM 1146 O TYR A 72 17.937 15.807 13.632 1.00 12.09 O ATOM 1147 CB TYR A 72 18.922 12.698 12.988 1.00 12.90 C ATOM 1148 CG TYR A 72 19.968 13.487 12.225 1.00 12.82 C ATOM 1149 CD1 TYR A 72 20.846 14.374 12.897 1.00 15.09 C ATOM 1150 CD2 TYR A 72 20.033 13.418 10.849 1.00 19.86 C ATOM 1151 CE1 TYR A 72 21.741 15.170 12.196 1.00 15.00 C ATOM 1152 CE2 TYR A 72 20.931 14.197 10.147 1.00 23.27 C ATOM 1153 CZ TYR A 72 21.760 15.057 10.842 1.00 18.29 C ATOM 1154 OH TYR A 72 22.587 15.810 10.115 1.00 26.89 O ATOM 1155 HA TYR A 72 16.870 12.848 13.809 1.00 0.00 H ATOM 1156 HB3 TYR A 72 18.688 11.802 12.413 1.00 0.00 H ATOM 1157 HB2 TYR A 72 19.349 12.410 13.949 1.00 0.00 H ATOM 1158 HD2 TYR A 72 19.369 12.742 10.311 1.00 0.00 H ATOM 1159 HE2 TYR A 72 20.985 14.135 9.060 1.00 0.00 H ATOM 1160 HE1 TYR A 72 22.406 15.862 12.714 1.00 0.00 H ATOM 1161 HD1 TYR A 72 20.818 14.432 13.985 1.00 0.00 H ATOM 1162 HH TYR A 72 23.127 16.381 10.717 1.00 0.00 H ATOM 1163 H TYR A 72 16.873 14.752 11.652 1.00 0.00 H ATOM 1164 N ILE A 73 18.076 14.429 15.437 1.00 12.16 N ATOM 1165 CA ILE A 73 18.559 15.416 16.369 1.00 13.60 C ATOM 1166 C ILE A 73 20.061 15.082 16.423 1.00 15.88 C ATOM 1167 O ILE A 73 20.877 16.027 16.317 1.00 16.69 O ATOM 1168 CB ILE A 73 17.958 15.324 17.748 1.00 13.56 C ATOM 1169 CG1 ILE A 73 16.478 15.710 17.689 1.00 13.44 C ATOM 1170 CG2 ILE A 73 18.673 16.326 18.687 1.00 12.72 C ATOM 1171 CD1 ILE A 73 15.830 15.622 18.975 1.00 11.27 C ATOM 1172 HA ILE A 73 18.305 16.427 16.051 1.00 0.00 H ATOM 1173 HB ILE A 73 18.071 14.304 18.116 1.00 0.00 H ATOM 1174 HG12 ILE A 73 16.398 16.735 17.327 1.00 0.00 H ATOM 1175 HG13 ILE A 73 15.970 15.041 16.995 1.00 0.00 H ATOM 1176 HD11 ILE A 73 15.895 14.598 19.344 1.00 0.00 H ATOM 1177 HD12 ILE A 73 16.324 16.294 19.676 1.00 0.00 H ATOM 1178 HD13 ILE A 73 14.783 15.907 18.873 1.00 0.00 H ATOM 1179 HG21 ILE A 73 19.735 16.083 18.734 1.00 0.00 H ATOM 1180 HG22 ILE A 73 18.547 17.337 18.301 1.00 0.00 H ATOM 1181 HG23 ILE A 73 18.239 16.260 19.685 1.00 0.00 H ATOM 1182 H ILE A 73 17.850 13.478 15.792 1.00 0.00 H ATOM 1183 N THR A 74 20.422 13.790 16.639 1.00 14.29 N ATOM 1184 CA THR A 74 21.815 13.319 16.610 1.00 13.15 C ATOM 1185 C THR A 74 21.979 12.450 15.374 1.00 13.90 C ATOM 1186 O THR A 74 21.163 11.587 15.075 1.00 14.12 O ATOM 1187 CB THR A 74 22.300 12.587 17.886 1.00 13.19 C ATOM 1188 OG1 THR A 74 23.645 12.066 17.662 1.00 15.50 O ATOM 1189 CG2 THR A 74 21.324 11.513 18.331 1.00 11.19 C ATOM 1190 HA THR A 74 22.455 14.200 16.573 1.00 0.00 H ATOM 1191 HB THR A 74 22.342 13.300 18.710 1.00 0.00 H ATOM 1192 HG1 THR A 74 23.956 11.598 18.477 1.00 0.00 H ATOM 1193 HG23 THR A 74 20.340 11.958 18.482 1.00 0.00 H ATOM 1194 HG21 THR A 74 21.261 10.741 17.564 1.00 0.00 H ATOM 1195 HG22 THR A 74 21.672 11.072 19.265 1.00 0.00 H ATOM 1196 H THR A 74 19.672 13.096 16.836 1.00 0.00 H ATOM 1197 N SER A 75 23.027 12.709 14.611 1.00 13.99 N ATOM 1198 CA SER A 75 23.243 12.001 13.370 1.00 15.66 C ATOM 1199 C SER A 75 23.386 10.508 13.649 1.00 15.95 C ATOM 1200 O SER A 75 23.232 9.697 12.737 1.00 14.60 O ATOM 1201 CB SER A 75 24.515 12.537 12.631 1.00 19.03 C ATOM 1202 OG SER A 75 25.709 12.231 13.354 1.00 17.16 O ATOM 1203 HA SER A 75 22.382 12.167 12.722 1.00 0.00 H ATOM 1204 HB2 SER A 75 24.433 13.619 12.524 1.00 0.00 H ATOM 1205 HB3 SER A 75 24.571 12.078 11.644 1.00 0.00 H ATOM 1206 HG SER A 75 25.667 12.649 14.250 1.00 0.00 H ATOM 1207 H SER A 75 23.709 13.436 14.909 1.00 0.00 H ATOM 1208 N ARG A 76 23.676 10.157 14.896 1.00 17.61 N ATOM 1209 CA ARG A 76 23.809 8.747 15.201 1.00 21.19 C ATOM 1210 C ARG A 76 22.493 7.969 15.210 1.00 21.37 C ATOM 1211 O ARG A 76 22.528 6.768 14.863 1.00 22.65 O ATOM 1212 CB ARG A 76 24.575 8.556 16.507 1.00 27.59 C ATOM 1213 CG ARG A 76 25.937 9.276 16.378 1.00 42.68 C ATOM 1214 CD ARG A 76 27.078 8.686 17.211 1.00 56.83 C ATOM 1215 NE ARG A 76 28.080 9.726 17.579 1.00 67.61 N ATOM 1216 CZ ARG A 76 29.400 9.510 17.694 1.00 68.98 C ATOM 1217 NH1 ARG A 76 29.908 8.300 17.453 1.00 70.15 N ATOM 1218 NH2 ARG A 76 30.208 10.495 18.075 1.00 68.89 N ATOM 1219 HA ARG A 76 24.379 8.318 14.377 1.00 0.00 H ATOM 1220 HB2 ARG A 76 24.008 8.984 17.334 1.00 0.00 H ATOM 1221 HB3 ARG A 76 24.735 7.493 16.689 1.00 0.00 H ATOM 1222 HG2 ARG A 76 26.235 9.245 15.330 1.00 0.00 H ATOM 1223 HG3 ARG A 76 25.799 10.313 16.684 1.00 0.00 H ATOM 1224 HD2 ARG A 76 27.573 7.906 16.632 1.00 0.00 H ATOM 1225 HD3 ARG A 76 26.665 8.254 18.122 1.00 0.00 H ATOM 1226 HE ARG A 76 27.731 10.689 17.760 1.00 0.00 H ATOM 1227 HH12 ARG A 76 30.931 8.138 17.544 1.00 0.00 H ATOM 1228 HH11 ARG A 76 29.281 7.519 17.175 1.00 0.00 H ATOM 1229 HH22 ARG A 76 31.230 10.324 18.163 1.00 0.00 H ATOM 1230 HH21 ARG A 76 29.818 11.436 18.285 1.00 0.00 H ATOM 1231 H ARG A 76 23.805 10.877 15.636 1.00 0.00 H ATOM 1232 N THR A 77 21.357 8.695 15.333 1.00 18.49 N ATOM 1233 CA THR A 77 19.992 8.126 15.473 1.00 15.90 C ATOM 1234 C THR A 77 19.032 8.815 14.539 1.00 15.49 C ATOM 1235 O THR A 77 18.430 9.845 14.891 1.00 15.41 O ATOM 1236 CB THR A 77 19.602 8.308 16.958 1.00 14.50 C ATOM 1237 OG1 THR A 77 20.720 7.836 17.761 1.00 16.75 O ATOM 1238 CG2 THR A 77 18.266 7.636 17.351 1.00 11.68 C ATOM 1239 HA THR A 77 19.960 7.071 15.202 1.00 0.00 H ATOM 1240 HB THR A 77 19.413 9.365 17.144 1.00 0.00 H ATOM 1241 HG1 THR A 77 20.502 7.939 18.721 1.00 0.00 H ATOM 1242 HG23 THR A 77 17.466 8.025 16.721 1.00 0.00 H ATOM 1243 HG21 THR A 77 18.348 6.558 17.212 1.00 0.00 H ATOM 1244 HG22 THR A 77 18.045 7.853 18.396 1.00 0.00 H ATOM 1245 H THR A 77 21.447 9.731 15.329 1.00 0.00 H ATOM 1246 N GLN A 78 18.913 8.247 13.346 1.00 13.41 N ATOM 1247 CA GLN A 78 18.116 8.811 12.268 1.00 15.16 C ATOM 1248 C GLN A 78 16.797 8.094 11.991 1.00 15.84 C ATOM 1249 O GLN A 78 16.649 6.897 12.321 1.00 16.81 O ATOM 1250 CB GLN A 78 18.950 8.828 10.996 1.00 16.25 C ATOM 1251 CG GLN A 78 20.308 9.468 11.242 1.00 19.57 C ATOM 1252 CD GLN A 78 21.053 9.849 9.947 1.00 22.12 C ATOM 1253 OE1 GLN A 78 22.243 10.158 10.000 1.00 24.49 O ATOM 1254 NE2 GLN A 78 20.356 9.893 8.808 1.00 18.61 N ATOM 1255 HA GLN A 78 17.841 9.814 12.596 1.00 0.00 H ATOM 1256 HB2 GLN A 78 19.095 7.804 10.651 1.00 0.00 H ATOM 1257 HB3 GLN A 78 18.421 9.396 10.231 1.00 0.00 H ATOM 1258 HG2 GLN A 78 20.162 10.371 11.834 1.00 0.00 H ATOM 1259 HG3 GLN A 78 20.925 8.764 11.801 1.00 0.00 H ATOM 1260 HE22 GLN A 78 19.351 9.624 8.802 1.00 0.00 H ATOM 1261 HE21 GLN A 78 20.818 10.196 7.927 1.00 0.00 H ATOM 1262 H GLN A 78 19.415 7.353 13.173 1.00 0.00 H ATOM 1263 N PHE A 79 15.863 8.796 11.359 1.00 15.20 N ATOM 1264 CA PHE A 79 14.538 8.259 11.048 1.00 15.15 C ATOM 1265 C PHE A 79 14.096 8.565 9.629 1.00 15.24 C ATOM 1266 O PHE A 79 14.551 9.565 9.022 1.00 15.49 O ATOM 1267 CB PHE A 79 13.511 8.817 12.050 1.00 15.43 C ATOM 1268 CG PHE A 79 13.877 8.536 13.471 1.00 13.62 C ATOM 1269 CD1 PHE A 79 14.707 9.428 14.186 1.00 10.79 C ATOM 1270 CD2 PHE A 79 13.533 7.311 14.043 1.00 12.65 C ATOM 1271 CE1 PHE A 79 15.201 9.097 15.458 1.00 12.49 C ATOM 1272 CE2 PHE A 79 14.034 6.942 15.344 1.00 11.67 C ATOM 1273 CZ PHE A 79 14.868 7.844 16.044 1.00 12.58 C ATOM 1274 HA PHE A 79 14.600 7.174 11.132 1.00 0.00 H ATOM 1275 HB2 PHE A 79 13.443 9.896 11.915 1.00 0.00 H ATOM 1276 HB3 PHE A 79 12.541 8.364 11.844 1.00 0.00 H ATOM 1277 HD2 PHE A 79 12.880 6.627 13.502 1.00 0.00 H ATOM 1278 HE2 PHE A 79 13.773 5.979 15.783 1.00 0.00 H ATOM 1279 HZ PHE A 79 15.254 7.580 17.029 1.00 0.00 H ATOM 1280 HE1 PHE A 79 15.839 9.799 15.996 1.00 0.00 H ATOM 1281 HD1 PHE A 79 14.968 10.389 13.743 1.00 0.00 H ATOM 1282 H PHE A 79 16.083 9.771 11.072 1.00 0.00 H ATOM 1283 N ASN A 80 13.181 7.738 9.104 1.00 15.18 N ATOM 1284 CA ASN A 80 12.706 7.941 7.739 1.00 17.01 C ATOM 1285 C ASN A 80 11.648 9.085 7.632 1.00 17.78 C ATOM 1286 O ASN A 80 11.361 9.596 6.537 1.00 18.66 O ATOM 1287 CB ASN A 80 12.172 6.613 7.165 1.00 18.36 C ATOM 1288 CG ASN A 80 13.292 5.558 7.026 1.00 23.85 C ATOM 1289 OD1 ASN A 80 14.467 5.929 6.793 1.00 22.51 O ATOM 1290 ND2 ASN A 80 12.957 4.255 7.201 1.00 19.83 N ATOM 1291 HA ASN A 80 13.555 8.267 7.138 1.00 0.00 H ATOM 1292 HB2 ASN A 80 11.401 6.225 7.831 1.00 0.00 H ATOM 1293 HB3 ASN A 80 11.740 6.801 6.182 1.00 0.00 H ATOM 1294 HD22 ASN A 80 11.969 3.993 7.392 1.00 0.00 H ATOM 1295 HD21 ASN A 80 13.688 3.518 7.144 1.00 0.00 H ATOM 1296 H ASN A 80 12.809 6.950 9.671 1.00 0.00 H ATOM 1297 N SER A 81 11.127 9.518 8.779 1.00 16.11 N ATOM 1298 CA SER A 81 10.125 10.571 8.807 1.00 16.27 C ATOM 1299 C SER A 81 10.109 11.269 10.167 1.00 15.56 C ATOM 1300 O SER A 81 10.487 10.708 11.207 1.00 16.05 O ATOM 1301 CB SER A 81 8.757 9.974 8.569 1.00 13.20 C ATOM 1302 OG SER A 81 8.386 9.195 9.699 1.00 15.53 O ATOM 1303 HA SER A 81 10.372 11.294 8.029 1.00 0.00 H ATOM 1304 HB2 SER A 81 8.784 9.341 7.682 1.00 0.00 H ATOM 1305 HB3 SER A 81 8.030 10.773 8.422 1.00 0.00 H ATOM 1306 HG SER A 81 9.048 8.470 9.831 1.00 0.00 H ATOM 1307 H SER A 81 11.444 9.094 9.674 1.00 0.00 H ATOM 1308 N LEU A 82 9.545 12.461 10.175 1.00 16.12 N ATOM 1309 CA LEU A 82 9.433 13.232 11.392 1.00 15.60 C ATOM 1310 C LEU A 82 8.531 12.492 12.362 1.00 15.22 C ATOM 1311 O LEU A 82 8.774 12.495 13.569 1.00 14.83 O ATOM 1312 CB LEU A 82 8.918 14.639 11.016 1.00 19.50 C ATOM 1313 CG LEU A 82 9.237 15.819 11.927 1.00 24.27 C ATOM 1314 CD1 LEU A 82 10.687 15.850 12.308 1.00 24.05 C ATOM 1315 CD2 LEU A 82 8.908 17.070 11.198 1.00 26.26 C ATOM 1316 HA LEU A 82 10.392 13.357 11.895 1.00 0.00 H ATOM 1317 HB2 LEU A 82 9.327 14.876 10.034 1.00 0.00 H ATOM 1318 HB3 LEU A 82 7.832 14.573 10.949 1.00 0.00 H ATOM 1319 HG LEU A 82 8.650 15.721 12.840 1.00 0.00 H ATOM 1320 HD21 LEU A 82 9.505 17.126 10.288 1.00 0.00 H ATOM 1321 HD22 LEU A 82 7.849 17.071 10.940 1.00 0.00 H ATOM 1322 HD23 LEU A 82 9.129 17.928 11.833 1.00 0.00 H ATOM 1323 HD11 LEU A 82 10.943 14.931 12.835 1.00 0.00 H ATOM 1324 HD12 LEU A 82 11.296 15.936 11.408 1.00 0.00 H ATOM 1325 HD13 LEU A 82 10.873 16.706 12.957 1.00 0.00 H ATOM 1326 H LEU A 82 9.173 12.854 9.287 1.00 0.00 H ATOM 1327 N GLN A 83 7.501 11.818 11.827 1.00 15.65 N ATOM 1328 CA GLN A 83 6.527 11.045 12.626 1.00 16.06 C ATOM 1329 C GLN A 83 7.198 9.912 13.377 1.00 13.85 C ATOM 1330 O GLN A 83 6.971 9.714 14.580 1.00 13.41 O ATOM 1331 CB GLN A 83 5.426 10.537 11.694 1.00 18.79 C ATOM 1332 CG GLN A 83 4.640 11.776 11.055 1.00 24.32 C ATOM 1333 CD GLN A 83 5.146 12.407 9.718 1.00 24.02 C ATOM 1334 OE1 GLN A 83 4.404 13.140 9.039 1.00 30.91 O ATOM 1335 NE2 GLN A 83 6.320 12.104 9.334 1.00 22.82 N ATOM 1336 HA GLN A 83 6.084 11.690 13.385 1.00 0.00 H ATOM 1337 HB2 GLN A 83 5.872 9.942 10.897 1.00 0.00 H ATOM 1338 HB3 GLN A 83 4.729 9.919 12.260 1.00 0.00 H ATOM 1339 HG2 GLN A 83 3.616 11.445 10.881 1.00 0.00 H ATOM 1340 HG3 GLN A 83 4.642 12.571 11.801 1.00 0.00 H ATOM 1341 HE22 GLN A 83 6.917 11.489 9.923 1.00 0.00 H ATOM 1342 HE21 GLN A 83 6.683 12.471 8.431 1.00 0.00 H ATOM 1343 H GLN A 83 7.382 11.841 10.794 1.00 0.00 H ATOM 1344 N GLN A 84 8.104 9.225 12.678 1.00 14.72 N ATOM 1345 CA GLN A 84 8.900 8.111 13.281 1.00 14.47 C ATOM 1346 C GLN A 84 9.841 8.667 14.366 1.00 13.09 C ATOM 1347 O GLN A 84 10.000 8.072 15.435 1.00 13.41 O ATOM 1348 CB GLN A 84 9.686 7.327 12.189 1.00 14.53 C ATOM 1349 CG GLN A 84 8.798 6.379 11.469 1.00 18.53 C ATOM 1350 CD GLN A 84 9.300 5.968 10.112 1.00 21.73 C ATOM 1351 OE1 GLN A 84 9.657 6.792 9.278 1.00 21.23 O ATOM 1352 NE2 GLN A 84 9.240 4.681 9.848 1.00 20.40 N ATOM 1353 HA GLN A 84 8.215 7.405 13.750 1.00 0.00 H ATOM 1354 HB2 GLN A 84 10.106 8.035 11.474 1.00 0.00 H ATOM 1355 HB3 GLN A 84 10.494 6.769 12.663 1.00 0.00 H ATOM 1356 HG2 GLN A 84 8.690 5.482 12.079 1.00 0.00 H ATOM 1357 HG3 GLN A 84 7.824 6.852 11.344 1.00 0.00 H ATOM 1358 HE22 GLN A 84 8.932 4.013 10.583 1.00 0.00 H ATOM 1359 HE21 GLN A 84 9.501 4.331 8.904 1.00 0.00 H ATOM 1360 H GLN A 84 8.262 9.472 11.680 1.00 0.00 H ATOM 1361 N LEU A 85 10.423 9.845 14.105 1.00 12.89 N ATOM 1362 CA LEU A 85 11.294 10.514 15.102 1.00 11.58 C ATOM 1363 C LEU A 85 10.470 10.822 16.330 1.00 9.98 C ATOM 1364 O LEU A 85 10.883 10.533 17.447 1.00 10.35 O ATOM 1365 CB LEU A 85 11.941 11.792 14.512 1.00 10.74 C ATOM 1366 CG LEU A 85 12.952 12.504 15.451 1.00 13.15 C ATOM 1367 CD1 LEU A 85 14.025 13.270 14.662 1.00 11.22 C ATOM 1368 CD2 LEU A 85 12.180 13.461 16.408 1.00 14.71 C ATOM 1369 HA LEU A 85 12.114 9.851 15.377 1.00 0.00 H ATOM 1370 HB2 LEU A 85 12.465 11.516 13.597 1.00 0.00 H ATOM 1371 HB3 LEU A 85 11.144 12.497 14.274 1.00 0.00 H ATOM 1372 HG LEU A 85 13.472 11.745 16.036 1.00 0.00 H ATOM 1373 HD21 LEU A 85 11.641 14.204 15.820 1.00 0.00 H ATOM 1374 HD22 LEU A 85 11.472 12.884 17.003 1.00 0.00 H ATOM 1375 HD23 LEU A 85 12.888 13.962 17.068 1.00 0.00 H ATOM 1376 HD11 LEU A 85 14.577 12.573 14.031 1.00 0.00 H ATOM 1377 HD12 LEU A 85 13.546 14.026 14.039 1.00 0.00 H ATOM 1378 HD13 LEU A 85 14.711 13.753 15.358 1.00 0.00 H ATOM 1379 H LEU A 85 10.261 10.300 13.184 1.00 0.00 H ATOM 1380 N VAL A 86 9.284 11.399 16.160 1.00 11.13 N ATOM 1381 CA VAL A 86 8.451 11.676 17.329 1.00 11.91 C ATOM 1382 C VAL A 86 8.050 10.395 18.129 1.00 12.25 C ATOM 1383 O VAL A 86 8.105 10.351 19.377 1.00 12.24 O ATOM 1384 CB VAL A 86 7.193 12.493 16.921 1.00 11.44 C ATOM 1385 CG1 VAL A 86 6.175 12.507 18.101 1.00 12.28 C ATOM 1386 CG2 VAL A 86 7.646 13.923 16.584 1.00 12.98 C ATOM 1387 HA VAL A 86 9.062 12.272 18.007 1.00 0.00 H ATOM 1388 HB VAL A 86 6.705 12.046 16.055 1.00 0.00 H ATOM 1389 HG11 VAL A 86 5.883 11.484 18.339 1.00 0.00 H ATOM 1390 HG12 VAL A 86 6.639 12.966 18.974 1.00 0.00 H ATOM 1391 HG13 VAL A 86 5.294 13.080 17.812 1.00 0.00 H ATOM 1392 HG21 VAL A 86 8.118 14.369 17.459 1.00 0.00 H ATOM 1393 HG22 VAL A 86 8.360 13.892 15.761 1.00 0.00 H ATOM 1394 HG23 VAL A 86 6.780 14.518 16.294 1.00 0.00 H ATOM 1395 H VAL A 86 8.953 11.650 15.207 1.00 0.00 H ATOM 1396 N ALA A 87 7.675 9.330 17.391 1.00 13.23 N ATOM 1397 CA ALA A 87 7.275 8.048 18.017 1.00 12.08 C ATOM 1398 C ALA A 87 8.458 7.471 18.823 1.00 12.11 C ATOM 1399 O ALA A 87 8.282 6.985 19.961 1.00 13.51 O ATOM 1400 CB ALA A 87 6.784 7.060 16.936 1.00 10.89 C ATOM 1401 HA ALA A 87 6.449 8.219 18.707 1.00 0.00 H ATOM 1402 HB1 ALA A 87 5.927 7.488 16.417 1.00 0.00 H ATOM 1403 HB2 ALA A 87 7.587 6.875 16.223 1.00 0.00 H ATOM 1404 HB3 ALA A 87 6.493 6.122 17.408 1.00 0.00 H ATOM 1405 H ALA A 87 7.666 9.411 16.354 1.00 0.00 H ATOM 1406 N TYR A 88 9.675 7.584 18.287 1.00 10.71 N ATOM 1407 CA TYR A 88 10.854 7.046 18.996 1.00 11.44 C ATOM 1408 C TYR A 88 11.131 7.775 20.327 1.00 10.83 C ATOM 1409 O TYR A 88 11.323 7.156 21.402 1.00 10.18 O ATOM 1410 CB TYR A 88 12.044 7.108 18.031 1.00 10.16 C ATOM 1411 CG TYR A 88 13.334 6.733 18.700 1.00 11.51 C ATOM 1412 CD1 TYR A 88 13.797 5.405 18.672 1.00 15.34 C ATOM 1413 CD2 TYR A 88 14.089 7.684 19.389 1.00 13.39 C ATOM 1414 CE1 TYR A 88 15.007 5.053 19.349 1.00 18.24 C ATOM 1415 CE2 TYR A 88 15.287 7.359 20.051 1.00 15.56 C ATOM 1416 CZ TYR A 88 15.755 6.036 20.041 1.00 18.16 C ATOM 1417 OH TYR A 88 16.917 5.699 20.738 1.00 17.15 O ATOM 1418 HA TYR A 88 10.668 6.012 19.287 1.00 0.00 H ATOM 1419 HB3 TYR A 88 12.131 8.123 17.644 1.00 0.00 H ATOM 1420 HB2 TYR A 88 11.863 6.420 17.205 1.00 0.00 H ATOM 1421 HD2 TYR A 88 13.738 8.715 19.415 1.00 0.00 H ATOM 1422 HE2 TYR A 88 15.851 8.134 20.571 1.00 0.00 H ATOM 1423 HE1 TYR A 88 15.356 4.020 19.332 1.00 0.00 H ATOM 1424 HD1 TYR A 88 13.233 4.643 18.134 1.00 0.00 H ATOM 1425 HH TYR A 88 17.100 4.733 20.624 1.00 0.00 H ATOM 1426 H TYR A 88 9.794 8.053 17.366 1.00 0.00 H ATOM 1427 N TYR A 89 11.141 9.129 20.259 1.00 11.45 N ATOM 1428 CA TYR A 89 11.382 9.973 21.421 1.00 11.73 C ATOM 1429 C TYR A 89 10.279 10.017 22.449 1.00 11.49 C ATOM 1430 O TYR A 89 10.455 10.552 23.541 1.00 11.51 O ATOM 1431 CB TYR A 89 11.868 11.346 20.979 1.00 12.74 C ATOM 1432 CG TYR A 89 13.327 11.280 20.443 1.00 10.73 C ATOM 1433 CD1 TYR A 89 13.616 11.537 19.082 1.00 10.32 C ATOM 1434 CD2 TYR A 89 14.413 10.978 21.317 1.00 10.25 C ATOM 1435 CE1 TYR A 89 14.927 11.514 18.604 1.00 10.32 C ATOM 1436 CE2 TYR A 89 15.747 10.939 20.828 1.00 10.95 C ATOM 1437 CZ TYR A 89 15.958 11.210 19.491 1.00 9.18 C ATOM 1438 OH TYR A 89 17.206 11.132 18.970 1.00 12.91 O ATOM 1439 HA TYR A 89 12.180 9.487 21.983 1.00 0.00 H ATOM 1440 HB3 TYR A 89 11.832 12.027 21.829 1.00 0.00 H ATOM 1441 HB2 TYR A 89 11.215 11.717 20.189 1.00 0.00 H ATOM 1442 HD2 TYR A 89 14.218 10.775 22.370 1.00 0.00 H ATOM 1443 HE2 TYR A 89 16.580 10.702 21.490 1.00 0.00 H ATOM 1444 HE1 TYR A 89 15.140 11.730 17.557 1.00 0.00 H ATOM 1445 HD1 TYR A 89 12.800 11.757 18.394 1.00 0.00 H ATOM 1446 HH TYR A 89 17.175 11.356 18.006 1.00 0.00 H ATOM 1447 H TYR A 89 10.970 9.583 19.339 1.00 0.00 H ATOM 1448 N SER A 90 9.133 9.435 22.093 1.00 14.09 N ATOM 1449 CA SER A 90 7.989 9.286 23.023 1.00 14.63 C ATOM 1450 C SER A 90 8.232 8.054 23.874 1.00 16.46 C ATOM 1451 O SER A 90 7.562 7.867 24.901 1.00 19.60 O ATOM 1452 CB SER A 90 6.651 9.139 22.304 1.00 14.31 C ATOM 1453 OG SER A 90 6.366 10.288 21.520 1.00 16.40 O ATOM 1454 HA SER A 90 7.927 10.192 23.626 1.00 0.00 H ATOM 1455 HB2 SER A 90 5.861 9.007 23.043 1.00 0.00 H ATOM 1456 HB3 SER A 90 6.689 8.264 21.655 1.00 0.00 H ATOM 1457 HG SER A 90 7.079 10.410 20.844 1.00 0.00 H ATOM 1458 H SER A 90 9.038 9.071 21.123 1.00 0.00 H ATOM 1459 N LYS A 91 9.204 7.222 23.483 1.00 15.90 N ATOM 1460 CA LYS A 91 9.563 6.018 24.257 1.00 16.44 C ATOM 1461 C LYS A 91 10.924 6.147 24.927 1.00 15.07 C ATOM 1462 O LYS A 91 11.129 5.673 26.030 1.00 16.91 O ATOM 1463 CB LYS A 91 9.620 4.794 23.344 1.00 16.33 C ATOM 1464 CG LYS A 91 8.281 4.365 22.813 1.00 25.15 C ATOM 1465 CD LYS A 91 7.420 3.812 23.965 1.00 30.19 C ATOM 1466 CE LYS A 91 6.112 3.234 23.426 1.00 38.83 C ATOM 1467 NZ LYS A 91 5.422 2.316 24.409 1.00 45.61 N ATOM 1468 HA LYS A 91 8.793 5.906 25.020 1.00 0.00 H ATOM 1469 HB2 LYS A 91 10.266 5.027 22.498 1.00 0.00 H ATOM 1470 HB3 LYS A 91 10.047 3.965 23.908 1.00 0.00 H ATOM 1471 HG2 LYS A 91 7.778 5.221 22.363 1.00 0.00 H ATOM 1472 HG3 LYS A 91 8.421 3.590 22.060 1.00 0.00 H ATOM 1473 HD2 LYS A 91 7.973 3.028 24.482 1.00 0.00 H ATOM 1474 HD3 LYS A 91 7.195 4.618 24.664 1.00 0.00 H ATOM 1475 HE2 LYS A 91 6.329 2.671 22.518 1.00 0.00 H ATOM 1476 HE3 LYS A 91 5.439 4.058 23.189 1.00 0.00 H ATOM 1477 HZ1 LYS A 91 6.050 1.519 24.637 1.00 0.00 H ATOM 1478 HZ2 LYS A 91 5.201 2.844 25.277 1.00 0.00 H ATOM 1479 HZ3 LYS A 91 4.542 1.956 23.987 1.00 0.00 H ATOM 1480 H LYS A 91 9.723 7.430 22.606 1.00 0.00 H ATOM 1481 N HIS A 92 11.843 6.832 24.262 1.00 14.71 N ATOM 1482 CA HIS A 92 13.193 7.015 24.788 1.00 14.18 C ATOM 1483 C HIS A 92 13.514 8.462 25.163 1.00 12.90 C ATOM 1484 O HIS A 92 13.345 9.332 24.313 1.00 13.58 O ATOM 1485 CB HIS A 92 14.199 6.632 23.714 1.00 16.01 C ATOM 1486 CG HIS A 92 14.029 5.232 23.194 1.00 17.83 C ATOM 1487 ND1 HIS A 92 14.731 4.152 23.709 1.00 21.30 N ATOM 1488 CD2 HIS A 92 13.261 4.741 22.193 1.00 16.81 C ATOM 1489 CE1 HIS A 92 14.391 3.061 23.042 1.00 18.94 C ATOM 1490 NE2 HIS A 92 13.504 3.389 22.124 1.00 19.31 N ATOM 1491 HA HIS A 92 13.251 6.395 25.683 1.00 0.00 H ATOM 1492 HB2 HIS A 92 14.091 7.324 22.879 1.00 0.00 H ATOM 1493 HB3 HIS A 92 15.201 6.724 24.133 1.00 0.00 H ATOM 1494 HD2 HIS A 92 12.579 5.310 21.561 1.00 0.00 H ATOM 1495 HE1 HIS A 92 14.780 2.059 23.222 1.00 0.00 H ATOM 1496 H HIS A 92 11.597 7.250 23.342 1.00 0.00 H ATOM 1497 N ALA A 93 14.033 8.729 26.364 1.00 13.86 N ATOM 1498 CA ALA A 93 14.443 10.116 26.700 1.00 12.87 C ATOM 1499 C ALA A 93 15.792 10.348 25.957 1.00 14.04 C ATOM 1500 O ALA A 93 15.935 11.341 25.260 1.00 13.80 O ATOM 1501 CB ALA A 93 14.652 10.292 28.143 1.00 12.32 C ATOM 1502 HA ALA A 93 13.667 10.821 26.404 1.00 0.00 H ATOM 1503 HB1 ALA A 93 13.725 10.072 28.673 1.00 0.00 H ATOM 1504 HB2 ALA A 93 15.435 9.613 28.481 1.00 0.00 H ATOM 1505 HB3 ALA A 93 14.951 11.321 28.343 1.00 0.00 H ATOM 1506 H ALA A 93 14.150 7.967 27.062 1.00 0.00 H ATOM 1507 N ASP A 94 16.696 9.332 25.951 1.00 13.48 N ATOM 1508 CA ASP A 94 18.044 9.473 25.354 1.00 12.74 C ATOM 1509 C ASP A 94 18.686 10.771 25.913 1.00 12.48 C ATOM 1510 O ASP A 94 18.826 10.925 27.125 1.00 13.09 O ATOM 1511 CB ASP A 94 18.024 9.434 23.799 1.00 11.52 C ATOM 1512 CG ASP A 94 17.849 8.013 23.257 1.00 12.62 C ATOM 1513 OD1 ASP A 94 17.630 7.068 24.060 1.00 15.28 O ATOM 1514 OD2 ASP A 94 17.942 7.845 22.059 1.00 13.81 O ATOM 1515 HA ASP A 94 18.654 8.615 25.637 1.00 0.00 H ATOM 1516 HB2 ASP A 94 17.198 10.050 23.443 1.00 0.00 H ATOM 1517 HB3 ASP A 94 18.965 9.839 23.426 1.00 0.00 H ATOM 1518 H ASP A 94 16.431 8.423 26.381 1.00 0.00 H ATOM 1519 N GLY A 95 19.075 11.695 25.039 1.00 13.13 N ATOM 1520 CA GLY A 95 19.666 12.937 25.524 1.00 14.75 C ATOM 1521 C GLY A 95 18.691 14.086 25.797 1.00 15.57 C ATOM 1522 O GLY A 95 19.131 15.190 26.188 1.00 15.97 O ATOM 1523 HA3 GLY A 95 20.383 13.279 24.777 1.00 0.00 H ATOM 1524 HA2 GLY A 95 20.189 12.716 26.454 1.00 0.00 H ATOM 1525 H GLY A 95 18.959 11.533 24.018 1.00 0.00 H ATOM 1526 N LEU A 96 17.389 13.868 25.578 1.00 15.06 N ATOM 1527 CA LEU A 96 16.343 14.903 25.818 1.00 14.63 C ATOM 1528 C LEU A 96 16.066 15.078 27.305 1.00 12.97 C ATOM 1529 O LEU A 96 16.295 14.182 28.121 1.00 12.88 O ATOM 1530 CB LEU A 96 15.025 14.554 25.104 1.00 13.58 C ATOM 1531 CG LEU A 96 15.082 14.259 23.603 1.00 13.15 C ATOM 1532 CD1 LEU A 96 13.678 14.163 23.049 1.00 15.84 C ATOM 1533 CD2 LEU A 96 15.899 15.257 22.822 1.00 18.34 C ATOM 1534 HA LEU A 96 16.733 15.836 25.411 1.00 0.00 H ATOM 1535 HB2 LEU A 96 14.614 13.671 25.594 1.00 0.00 H ATOM 1536 HB3 LEU A 96 14.346 15.395 25.245 1.00 0.00 H ATOM 1537 HG LEU A 96 15.594 13.304 23.487 1.00 0.00 H ATOM 1538 HD21 LEU A 96 15.468 16.251 22.943 1.00 0.00 H ATOM 1539 HD22 LEU A 96 16.924 15.256 23.194 1.00 0.00 H ATOM 1540 HD23 LEU A 96 15.893 14.983 21.767 1.00 0.00 H ATOM 1541 HD11 LEU A 96 13.143 13.360 23.556 1.00 0.00 H ATOM 1542 HD12 LEU A 96 13.159 15.107 23.213 1.00 0.00 H ATOM 1543 HD13 LEU A 96 13.724 13.953 21.980 1.00 0.00 H ATOM 1544 H LEU A 96 17.094 12.935 25.225 1.00 0.00 H ATOM 1545 N CYS A 97 15.518 16.228 27.653 1.00 12.86 N ATOM 1546 CA CYS A 97 15.212 16.526 29.028 1.00 13.03 C ATOM 1547 C CYS A 97 14.148 15.570 29.580 1.00 14.31 C ATOM 1548 O CYS A 97 14.085 15.324 30.791 1.00 14.43 O ATOM 1549 CB CYS A 97 14.777 17.994 29.149 1.00 15.53 C ATOM 1550 SG CYS A 97 13.358 18.510 28.164 1.00 15.64 S ATOM 1551 HA CYS A 97 16.107 16.379 29.632 1.00 0.00 H ATOM 1552 HB2 CYS A 97 15.624 18.614 28.856 1.00 0.00 H ATOM 1553 HB3 CYS A 97 14.537 18.181 30.196 1.00 0.00 H ATOM 1554 HG CYS A 97 13.105 19.848 28.390 1.00 0.00 H ATOM 1555 H CYS A 97 15.303 16.933 26.919 1.00 0.00 H ATOM 1556 N HIS A 98 13.342 14.987 28.671 1.00 15.71 N ATOM 1557 CA HIS A 98 12.292 14.053 29.048 1.00 14.26 C ATOM 1558 C HIS A 98 11.761 13.392 27.803 1.00 14.66 C ATOM 1559 O HIS A 98 11.946 13.899 26.686 1.00 14.82 O ATOM 1560 CB HIS A 98 11.177 14.810 29.708 1.00 11.42 C ATOM 1561 CG HIS A 98 10.232 13.944 30.456 1.00 14.80 C ATOM 1562 ND1 HIS A 98 9.168 13.299 29.852 1.00 13.18 N ATOM 1563 CD2 HIS A 98 10.184 13.619 31.770 1.00 16.10 C ATOM 1564 CE1 HIS A 98 8.508 12.614 30.767 1.00 13.16 C ATOM 1565 NE2 HIS A 98 9.100 12.791 31.938 1.00 15.40 N ATOM 1566 HA HIS A 98 12.688 13.303 29.733 1.00 0.00 H ATOM 1567 HB2 HIS A 98 11.612 15.527 30.404 1.00 0.00 H ATOM 1568 HB3 HIS A 98 10.620 15.344 28.938 1.00 0.00 H ATOM 1569 HD2 HIS A 98 10.874 13.951 32.546 1.00 0.00 H ATOM 1570 HE1 HIS A 98 7.623 12.004 30.588 1.00 0.00 H ATOM 1571 H HIS A 98 13.475 15.213 27.665 1.00 0.00 H ATOM 1572 N ARG A 99 11.159 12.203 27.952 1.00 14.39 N ATOM 1573 CA ARG A 99 10.558 11.566 26.765 1.00 14.16 C ATOM 1574 C ARG A 99 9.327 12.439 26.392 1.00 13.37 C ATOM 1575 O ARG A 99 8.790 13.169 27.257 1.00 14.18 O ATOM 1576 CB ARG A 99 10.122 10.101 27.031 1.00 15.29 C ATOM 1577 CG ARG A 99 8.933 9.933 27.902 1.00 18.32 C ATOM 1578 CD ARG A 99 8.363 8.460 27.946 1.00 23.67 C ATOM 1579 NE ARG A 99 7.086 8.400 28.689 1.00 24.00 N ATOM 1580 CZ ARG A 99 5.845 8.461 28.144 1.00 23.46 C ATOM 1581 NH1 ARG A 99 5.641 8.545 26.827 1.00 22.26 N ATOM 1582 NH2 ARG A 99 4.791 8.648 28.937 1.00 25.11 N ATOM 1583 HA ARG A 99 11.288 11.512 25.957 1.00 0.00 H ATOM 1584 HB2 ARG A 99 9.902 9.637 26.070 1.00 0.00 H ATOM 1585 HB3 ARG A 99 10.958 9.582 27.501 1.00 0.00 H ATOM 1586 HG2 ARG A 99 9.208 10.223 28.916 1.00 0.00 H ATOM 1587 HG3 ARG A 99 8.146 10.593 27.537 1.00 0.00 H ATOM 1588 HD2 ARG A 99 9.090 7.812 28.436 1.00 0.00 H ATOM 1589 HD3 ARG A 99 8.197 8.112 26.926 1.00 0.00 H ATOM 1590 HE ARG A 99 7.144 8.302 29.723 1.00 0.00 H ATOM 1591 HH12 ARG A 99 4.672 8.590 26.453 1.00 0.00 H ATOM 1592 HH11 ARG A 99 6.451 8.566 26.176 1.00 0.00 H ATOM 1593 HH22 ARG A 99 3.835 8.696 28.529 1.00 0.00 H ATOM 1594 HH21 ARG A 99 4.924 8.746 29.964 1.00 0.00 H ATOM 1595 H ARG A 99 11.117 11.741 28.883 1.00 0.00 H ATOM 1596 N LEU A 100 8.986 12.455 25.121 1.00 12.79 N ATOM 1597 CA LEU A 100 7.820 13.208 24.637 1.00 14.92 C ATOM 1598 C LEU A 100 6.518 12.506 25.177 1.00 16.54 C ATOM 1599 O LEU A 100 6.304 11.284 24.980 1.00 15.92 O ATOM 1600 CB LEU A 100 7.809 13.246 23.112 1.00 12.73 C ATOM 1601 CG LEU A 100 9.082 13.732 22.428 1.00 12.16 C ATOM 1602 CD1 LEU A 100 8.907 13.869 20.949 1.00 10.70 C ATOM 1603 CD2 LEU A 100 9.499 15.024 23.137 1.00 14.49 C ATOM 1604 HA LEU A 100 7.865 14.236 24.998 1.00 0.00 H ATOM 1605 HB2 LEU A 100 7.609 12.235 22.758 1.00 0.00 H ATOM 1606 HB3 LEU A 100 6.997 13.904 22.804 1.00 0.00 H ATOM 1607 HG LEU A 100 9.887 13.002 22.520 1.00 0.00 H ATOM 1608 HD21 LEU A 100 8.702 15.762 23.043 1.00 0.00 H ATOM 1609 HD22 LEU A 100 9.681 14.816 24.191 1.00 0.00 H ATOM 1610 HD23 LEU A 100 10.410 15.410 22.679 1.00 0.00 H ATOM 1611 HD11 LEU A 100 8.641 12.901 20.525 1.00 0.00 H ATOM 1612 HD12 LEU A 100 8.114 14.588 20.743 1.00 0.00 H ATOM 1613 HD13 LEU A 100 9.839 14.218 20.505 1.00 0.00 H ATOM 1614 H LEU A 100 9.559 11.919 24.438 1.00 0.00 H ATOM 1615 N THR A 101 5.662 13.290 25.826 1.00 15.96 N ATOM 1616 CA THR A 101 4.407 12.801 26.421 1.00 16.97 C ATOM 1617 C THR A 101 3.180 13.299 25.628 1.00 18.50 C ATOM 1618 O THR A 101 2.741 12.650 24.656 1.00 21.21 O ATOM 1619 CB THR A 101 4.354 13.161 27.959 1.00 17.99 C ATOM 1620 OG1 THR A 101 4.588 14.576 28.168 1.00 16.58 O ATOM 1621 CG2 THR A 101 5.419 12.392 28.719 1.00 12.64 C ATOM 1622 HA THR A 101 4.378 11.714 26.353 1.00 0.00 H ATOM 1623 HB THR A 101 3.362 12.893 28.322 1.00 0.00 H ATOM 1624 HG1 THR A 101 4.550 14.776 29.137 1.00 0.00 H ATOM 1625 HG23 THR A 101 5.264 11.322 28.577 1.00 0.00 H ATOM 1626 HG21 THR A 101 6.404 12.671 28.344 1.00 0.00 H ATOM 1627 HG22 THR A 101 5.351 12.633 29.780 1.00 0.00 H ATOM 1628 H THR A 101 5.891 14.300 25.918 1.00 0.00 H ATOM 1629 N THR A 102 2.736 14.527 25.874 1.00 19.03 N ATOM 1630 CA THR A 102 1.575 15.058 25.132 1.00 19.14 C ATOM 1631 C THR A 102 1.811 16.354 24.356 1.00 16.70 C ATOM 1632 O THR A 102 2.672 17.171 24.696 1.00 14.14 O ATOM 1633 CB THR A 102 0.328 15.224 26.060 1.00 24.20 C ATOM 1634 OG1 THR A 102 0.603 16.220 27.079 1.00 25.83 O ATOM 1635 CG2 THR A 102 -0.051 13.791 26.687 1.00 29.65 C ATOM 1636 HA THR A 102 1.391 14.295 24.376 1.00 0.00 H ATOM 1637 HB THR A 102 -0.531 15.579 25.491 1.00 0.00 H ATOM 1638 HG1 THR A 102 1.379 15.930 27.621 1.00 0.00 H ATOM 1639 HG23 THR A 102 -0.247 13.084 25.881 1.00 0.00 H ATOM 1640 HG21 THR A 102 0.779 13.431 27.295 1.00 0.00 H ATOM 1641 HG22 THR A 102 -0.941 13.892 27.308 1.00 0.00 H ATOM 1642 H THR A 102 3.207 15.115 26.591 1.00 0.00 H ATOM 1643 N VAL A 103 1.037 16.514 23.294 1.00 16.41 N ATOM 1644 CA VAL A 103 1.140 17.692 22.458 1.00 15.88 C ATOM 1645 C VAL A 103 0.726 18.947 23.235 1.00 15.39 C ATOM 1646 O VAL A 103 -0.187 18.938 24.062 1.00 15.08 O ATOM 1647 CB VAL A 103 0.312 17.527 21.209 1.00 13.58 C ATOM 1648 CG1 VAL A 103 0.465 18.743 20.272 1.00 15.41 C ATOM 1649 CG2 VAL A 103 0.715 16.225 20.542 1.00 18.87 C ATOM 1650 HA VAL A 103 2.181 17.814 22.159 1.00 0.00 H ATOM 1651 HB VAL A 103 -0.747 17.481 21.462 1.00 0.00 H ATOM 1652 HG11 VAL A 103 0.136 19.643 20.791 1.00 0.00 H ATOM 1653 HG12 VAL A 103 1.511 18.849 19.984 1.00 0.00 H ATOM 1654 HG13 VAL A 103 -0.145 18.592 19.381 1.00 0.00 H ATOM 1655 HG21 VAL A 103 1.774 16.261 20.288 1.00 0.00 H ATOM 1656 HG22 VAL A 103 0.532 15.396 21.226 1.00 0.00 H ATOM 1657 HG23 VAL A 103 0.127 16.086 19.635 1.00 0.00 H ATOM 1658 H VAL A 103 0.341 15.779 23.055 1.00 0.00 H ATOM 1659 N CYS A 104 1.525 19.973 23.103 1.00 14.73 N ATOM 1660 CA CYS A 104 1.241 21.235 23.750 1.00 15.51 C ATOM 1661 C CYS A 104 -0.129 21.776 23.399 1.00 15.96 C ATOM 1662 O CYS A 104 -0.493 21.871 22.213 1.00 16.19 O ATOM 1663 CB CYS A 104 2.239 22.300 23.295 1.00 14.57 C ATOM 1664 SG CYS A 104 2.213 23.757 24.330 1.00 18.72 S ATOM 1665 HA CYS A 104 1.302 21.036 24.820 1.00 0.00 H ATOM 1666 HB2 CYS A 104 1.995 22.593 22.274 1.00 0.00 H ATOM 1667 HB3 CYS A 104 3.241 21.872 23.320 1.00 0.00 H ATOM 1668 HG CYS A 104 0.952 24.318 24.300 1.00 0.00 H ATOM 1669 H CYS A 104 2.382 19.880 22.521 1.00 0.00 H ATOM 1670 N PRO A 105 -0.924 22.070 24.431 1.00 16.88 N ATOM 1671 CA PRO A 105 -2.237 22.635 24.117 1.00 19.57 C ATOM 1672 C PRO A 105 -1.966 24.087 23.571 1.00 21.49 C ATOM 1673 O PRO A 105 -1.032 24.810 24.091 1.00 23.26 O ATOM 1674 CB PRO A 105 -2.903 22.694 25.493 1.00 20.41 C ATOM 1675 CG PRO A 105 -2.093 21.763 26.355 1.00 19.86 C ATOM 1676 CD PRO A 105 -0.730 21.876 25.889 1.00 16.72 C ATOM 1677 HA PRO A 105 -2.838 22.090 23.389 1.00 0.00 H ATOM 1678 HD3 PRO A 105 -0.225 22.730 26.340 1.00 0.00 H ATOM 1679 HD2 PRO A 105 -0.162 20.969 26.097 1.00 0.00 H ATOM 1680 HG3 PRO A 105 -2.448 20.738 26.244 1.00 0.00 H ATOM 1681 HG2 PRO A 105 -2.162 22.059 27.402 1.00 0.00 H ATOM 1682 HB2 PRO A 105 -2.874 23.708 25.891 1.00 0.00 H ATOM 1683 HB3 PRO A 105 -3.938 22.358 25.433 1.00 0.00 H TER 1684 PRO A 105 HETATM 1685 O HOH 1 5.055 13.486 32.264 1.00 14.97 O HETATM 1686 O HOH 2 15.640 16.166 32.552 1.00 17.87 O HETATM 1687 O HOH 3 19.023 9.769 20.707 1.00 13.17 O HETATM 1688 O HOH 4 5.298 33.263 17.064 1.00 16.37 O HETATM 1689 O HOH 5 7.121 20.209 32.199 1.00 18.31 O HETATM 1690 O HOH 6 5.599 20.447 34.805 1.00 20.13 O HETATM 1691 O HOH 7 26.654 12.255 16.118 1.00 26.91 O HETATM 1692 O HOH 8 15.346 33.341 19.389 1.00 17.97 O HETATM 1693 O HOH 9 20.580 18.628 16.234 1.00 17.12 O HETATM 1694 O HOH 10 16.678 34.347 16.097 1.00 13.81 O HETATM 1695 O HOH 11 20.616 4.960 17.538 1.00 18.84 O HETATM 1696 O HOH 12 18.393 4.199 18.845 1.00 20.34 O HETATM 1697 O HOH 13 5.844 5.714 20.554 1.00 21.27 O HETATM 1698 O HOH 14 21.423 8.383 20.209 1.00 16.49 O HETATM 1699 O HOH 15 19.040 16.133 28.893 1.00 19.79 O HETATM 1700 O HOH 16 3.483 31.025 29.584 1.00 27.41 O HETATM 1701 O HOH 17 3.770 11.035 21.601 1.00 36.35 O HETATM 1702 O HOH 18 12.668 27.850 30.258 1.00 25.50 O HETATM 1703 O HOH 19 10.258 33.049 27.066 1.00 30.14 O HETATM 1704 O HOH 20 7.377 33.435 27.056 1.00 31.89 O HETATM 1705 O HOH 21 10.727 29.602 14.823 1.00 30.79 O HETATM 1706 O HOH 22 4.448 9.628 24.766 1.00 41.00 O HETATM 1707 O HOH 23 7.554 4.284 14.429 1.00 17.39 O HETATM 1708 O HOH 24 9.748 30.970 12.783 1.00 21.83 O HETATM 1709 O HOH 25 11.157 29.964 10.510 1.00 22.52 O HETATM 1710 O HOH 26 14.935 18.010 34.714 1.00 38.73 O HETATM 1711 O HOH 27 15.275 30.370 25.437 1.00 28.64 O HETATM 1712 O HOH 28 -2.539 14.762 20.823 1.00 41.44 O HETATM 1713 O HOH 29 13.440 27.706 8.877 1.00 39.58 O HETATM 1714 O HOH 30 4.954 35.148 21.492 1.00 32.25 O HETATM 1715 O HOH 31 -0.198 25.763 26.470 1.00 21.84 O HETATM 1716 O HOH 32 0.513 29.596 28.701 1.00 27.28 O HETATM 1717 O HOH 33 11.697 28.585 33.085 1.00 40.87 O HETATM 1718 O HOH 34 2.566 11.603 14.462 1.00 38.45 O HETATM 1719 O HOH 35 -0.403 21.671 11.818 1.00 39.62 O HETATM 1720 O HOH 36 10.030 3.492 7.414 1.00 29.38 O HETATM 1721 O HOH 37 15.266 20.898 31.507 1.00 25.15 O HETATM 1722 O HOH 38 -2.534 21.286 20.825 1.00 25.30 O HETATM 1723 O HOH 39 8.665 9.091 31.152 1.00 27.14 O HETATM 1724 O HOH 40 22.164 20.349 14.591 1.00 31.45 O HETATM 1725 O HOH 41 16.233 26.594 26.813 1.00 30.55 O HETATM 1726 O HOH 42 -3.715 23.284 29.687 1.00 36.38 O HETATM 1727 O HOH 43 6.064 1.303 26.622 1.00 82.41 O HETATM 1728 O HOH 44 4.439 9.908 15.328 1.00 26.11 O HETATM 1729 O HOH 45 22.790 20.670 12.110 1.00 36.79 O HETATM 1730 O HOH 46 -1.128 13.933 23.197 1.00 44.25 O HETATM 1731 O HOH 47 0.592 28.799 34.480 1.00 32.62 O HETATM 1732 O HOH 48 15.606 25.079 30.687 1.00 29.48 O HETATM 1733 O HOH 49 -4.089 16.812 20.321 1.00 45.43 O HETATM 1734 O HOH 50 -2.295 20.820 18.379 1.00 28.73 O HETATM 1735 O HOH 51 28.262 12.170 19.928 1.00 48.36 O HETATM 1736 O HOH 52 5.883 10.643 31.957 1.00 36.27 O HETATM 1737 O HOH 53 5.705 6.433 13.177 1.00 47.15 O HETATM 1738 O HOH 54 3.872 30.607 6.858 1.00 38.12 O HETATM 1739 O HOH 55 18.766 24.282 20.526 1.00 37.06 O HETATM 1740 O HOH 56 -3.153 19.029 22.744 1.00 41.42 O HETATM 1741 O HOH 57 30.260 7.726 20.046 1.00 37.41 O HETATM 1742 O HOH 58 20.338 16.462 23.803 1.00 49.02 O HETATM 1743 O HOH 59 8.185 6.570 6.576 1.00 59.66 O HETATM 1744 O HOH 60 27.356 9.771 12.865 1.00 60.28 O HETATM 1745 O HOH 61 1.038 24.315 11.223 1.00 49.49 O HETATM 1746 O HOH 62 11.130 11.143 33.340 1.00 28.76 O HETATM 1747 O HOH 63 18.883 22.107 24.752 1.00 44.74 O HETATM 1748 O HOH 64 3.095 33.271 13.256 1.00 58.07 O HETATM 1749 O HOH 65 19.649 30.327 21.059 1.00 34.59 O HETATM 1750 O HOH 66 0.648 30.546 31.552 1.00 47.19 O HETATM 1751 O HOH 67 20.025 14.485 21.782 1.00 41.40 O HETATM 1752 O HOH 68 23.858 7.221 11.447 1.00 60.49 O HETATM 1753 O HOH 69 2.219 33.563 29.687 1.00 46.39 O HETATM 1754 O HOH 70 23.906 4.137 14.550 1.00 52.79 O HETATM 1755 O HOH 71 9.468 10.906 5.117 1.00 52.33 O HETATM 1756 O HOH 72 -1.079 24.196 28.738 1.00 22.68 O HETATM 1757 O HOH 73 -4.929 19.092 18.749 1.00 40.58 O HETATM 1758 O HOH 74 0.509 29.795 18.713 1.00 45.12 O HETATM 1759 O HOH 75 -4.210 26.782 23.785 1.00 35.72 O HETATM 1760 O HOH 76 9.900 30.326 7.189 1.00 30.81 O HETATM 1761 O HOH 77 -4.676 26.693 30.521 1.00 53.98 O HETATM 1762 O HOH 78 -5.212 22.777 21.478 1.00 59.64 O HETATM 1763 O HOH 79 -0.950 24.378 15.405 1.00 62.40 O HETATM 1764 O HOH 80 19.550 22.309 31.221 1.00 61.55 O HETATM 1765 O HOH 81 5.220 36.280 24.010 1.00 33.70 O HETATM 1766 O HOH 82 20.668 32.365 15.447 1.00 44.46 O HETATM 1767 O HOH 83 17.143 22.411 32.561 1.00 50.05 O HETATM 1768 O HOH 84 9.344 17.236 41.708 1.00 34.04 O HETATM 1769 O HOH 85 8.695 8.536 34.662 1.00 85.01 O HETATM 1770 O HOH 86 6.527 29.107 6.353 1.00 39.69 O HETATM 1771 O HOH 87 9.989 26.607 5.446 1.00 65.74 O HETATM 1772 O HOH 88 20.313 20.105 25.970 1.00 33.39 O HETATM 1773 O HOH 89 -2.720 27.475 33.577 1.00 75.14 O HETATM 1774 O HOH 90 29.909 7.195 14.854 1.00 40.00 O HETATM 1775 O HOH 91 17.064 27.000 42.680 1.00 66.27 O HETATM 1776 O HOH 92 10.817 2.629 26.979 1.00 91.12 O HETATM 1777 O HOH 93 20.621 6.067 12.904 1.00 14.54 O HETATM 1778 O HOH 94 7.370 2.269 7.491 1.00 51.56 O HETATM 1779 O HOH 95 18.193 25.993 28.767 1.00 79.16 O HETATM 1780 O HOH 96 20.510 23.019 27.674 1.00 35.76 O HETATM 1781 O HOH 97 18.418 18.535 27.372 1.00 22.79 O HETATM 1782 O HOH 98 17.179 4.778 25.730 1.00 26.71 O HETATM 1783 O HOH 99 3.793 22.200 36.338 1.00 18.11 O HETATM 1784 O HOH 100 -4.228 25.744 20.966 1.00 41.47 O HETATM 1785 O HOH 101 -0.905 20.084 29.131 1.00 28.45 O HETATM 1786 O HOH 102 20.067 27.887 20.075 1.00 49.12 O HETATM 1787 O HOH 103 0.100 33.457 27.959 1.00 50.24 O HETATM 1788 O HOH 104 19.737 21.147 19.334 1.00 28.22 O HETATM 1789 O HOH 105 8.488 12.461 34.629 1.00 28.82 O HETATM 1790 O HOH 106 3.122 27.738 9.647 1.00 35.22 O HETATM 1791 O HOH 107 6.138 25.345 8.482 1.00 27.92 O HETATM 1792 O HOH 108 5.135 35.010 10.685 1.00 40.46 O HETATM 1793 O HOH 109 7.491 25.753 38.105 1.00 25.22 O HETATM 1794 O HOH 110 14.842 4.766 12.102 1.00 12.80 O HETATM 1795 O HOH 111 -1.353 28.467 27.339 1.00 60.34 O HETATM 1796 O HOH 112 -2.180 18.475 33.439 1.00 17.12 O HETATM 1797 O HOH 113 14.119 20.773 34.800 1.00 34.32 O HETATM 1798 O HOH 114 13.745 17.633 41.074 1.00 26.53 O HETATM 1799 O HOH 115 17.310 24.806 25.026 1.00 17.28 O HETATM 1800 O HOH 116 18.235 11.794 16.577 1.00 11.60 O HETATM 1801 O HOH 117 8.230 13.490 7.822 1.00 19.98 O HETATM 1802 O HOH 118 8.338 3.003 12.123 1.00 19.49 O HETATM 1803 O HOH 119 18.532 12.938 28.771 1.00 14.18 O HETATM 1804 O HOH 120 11.368 22.957 6.257 1.00 61.66 O HETATM 1805 O HOH 121 0.843 27.541 15.308 1.00 43.45 O HETATM 1806 O HOH 122 2.098 29.941 11.919 1.00 57.41 O HETATM 1807 O HOH 123 5.669 35.441 26.680 1.00 59.11 O HETATM 1808 O HOH 124 5.395 28.410 34.659 1.00 39.36 O HETATM 1809 O HOH 125 -5.159 24.689 36.500 1.00 36.68 O HETATM 1810 O HOH 126 1.914 15.347 28.594 1.00 38.28 O HETATM 1811 O HOH 127 11.910 24.957 8.215 1.00 40.20 O HETATM 1812 O HOH 128 18.037 20.173 7.909 1.00 40.57 O HETATM 1813 O HOH 129 13.951 28.041 35.496 1.00 46.40 O HETATM 1814 O HOH 130 6.636 17.333 41.381 1.00 21.28 O HETATM 1815 O HOH 131 19.459 21.091 22.625 1.00 68.83 O HETATM 1816 O HOH 132 20.993 25.068 16.791 1.00 53.62 O HETATM 1817 O HOH 133 12.645 5.333 10.449 1.00 15.64 O HETATM 1818 O HOH 134 -1.333 18.013 26.167 1.00 55.21 O HETATM 1819 O HOH 135 17.143 24.950 18.204 1.00 49.38 O HETATM 1820 O HOH 136 24.857 11.619 8.451 1.00 67.17 O HETATM 1821 O HOH 137 9.603 10.519 36.418 1.00 40.65 O HETATM 1822 O HOH 138 -4.163 22.329 17.039 1.00 78.87 O HETATM 1823 O HOH 139 21.896 33.714 13.136 1.00 43.23 O HETATM 1824 O HOH 140 18.141 2.467 26.551 1.00 26.91 O HETATM 1825 O HOH 141 15.851 27.645 31.169 1.00 43.90 O HETATM 1826 O HOH 142 2.100 31.269 8.701 1.00 46.22 O HETATM 1827 O HOH 143 2.558 34.123 9.752 1.00 37.01 O HETATM 1828 O HOH 144 -1.962 28.487 19.461 1.00 92.71 O HETATM 1829 O HOH 145 7.967 30.777 34.328 1.00 64.74 O HETATM 1830 O HOH 146 11.229 0.740 24.919 1.00 59.16 O HETATM 1831 O HOH 147 -2.847 30.680 22.916 1.00 45.10 O HETATM 1832 O HOH 148 12.463 15.083 34.047 1.00 30.09 O HETATM 1833 O HOH 149 14.945 29.251 38.723 1.00 64.92 O HETATM 1834 O HOH 150 13.726 28.567 27.888 1.00 65.81 O HETATM 1835 O HOH 151 5.178 9.173 7.607 1.00 61.26 O HETATM 1836 O HOH 152 -2.651 21.377 5.968 1.00 59.11 O HETATM 1837 C1 CIT A 153 15.220 28.755 17.727 1.00 0.04 C HETATM 1838 O1 CIT A 153 14.517 28.570 16.605 1.00 -0.57 O HETATM 1839 O2 CIT A 153 14.894 28.345 18.829 1.00 -0.57 O HETATM 1840 C2 CIT A 153 16.497 29.597 17.593 1.00 0.04 C HETATM 1841 C3 CIT A 153 17.595 28.673 17.062 1.00 0.13 C HETATM 1842 O7 CIT A 153 17.630 27.548 17.942 1.00 -0.38 O HETATM 1843 H3 CIT A 153 16.785 27.115 17.934 1.00 0.21 H HETATM 1844 C4 CIT A 153 18.830 29.654 17.136 1.00 0.04 C HETATM 1845 C5 CIT A 153 20.145 29.029 16.586 1.00 0.04 C HETATM 1846 O3 CIT A 153 21.265 29.480 16.903 1.00 -0.57 O HETATM 1847 O4 CIT A 153 20.069 27.975 15.734 1.00 -0.57 O HETATM 1848 H4 CIT A 153 18.990 29.936 18.187 1.00 0.05 H HETATM 1849 H5 CIT A 153 18.598 30.553 16.547 1.00 0.05 H HETATM 1850 C6 CIT A 153 17.364 28.200 15.689 1.00 0.08 C HETATM 1851 O5 CIT A 153 17.338 29.190 14.792 1.00 -0.54 O HETATM 1852 O6 CIT A 153 16.979 27.078 15.398 1.00 -0.54 O HETATM 1853 H1 CIT A 153 16.787 30.001 18.574 1.00 0.05 H HETATM 1854 H2 CIT A 153 16.330 30.426 16.890 1.00 0.05 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1837 1838 1839 1840 CONECT 1838 1837 CONECT 1839 1837 CONECT 1840 1837 1841 1853 1854 CONECT 1841 1840 1842 1844 1850 CONECT 1842 1841 1843 CONECT 1843 1842 CONECT 1844 1841 1845 1848 1849 CONECT 1845 1844 1846 1847 CONECT 1846 1845 CONECT 1847 1845 CONECT 1848 1844 CONECT 1849 1844 CONECT 1850 1841 1851 1852 CONECT 1851 1850 CONECT 1852 1850 CONECT 1853 1840 CONECT 1854 1840 MASTER 0 0 0 0 0 0 0 0 1853 1 22 9 END
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Related entries of code: 1o4l
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1a07
RCSB PDB
PDBbind
107aa, >1A07_1|Chains... at 99%
1a08
RCSB PDB
PDBbind
107aa, >1A08_1|Chains... at 99%
1a09
RCSB PDB
PDBbind
107aa, >1A09_1|Chains... at 99%
1a1b
RCSB PDB
PDBbind
107aa, >1A1B_1|Chains... at 99%
1a1c
RCSB PDB
PDBbind
107aa, >1A1C_1|Chains... at 99%
1a1e
RCSB PDB
PDBbind
107aa, >1A1E_1|Chains... at 99%
1is0
RCSB PDB
PDBbind
106aa, >1IS0_1|Chains... at 97%
1nlp
RCSB PDB
PDBbind
64aa, >1NLP_1|Chain... at 93%
1nzl
RCSB PDB
PDBbind
103aa, >1NZL_1|Chains... at 97%
1nzv
RCSB PDB
PDBbind
103aa, >1NZV_1|Chains... at 97%
1o41
RCSB PDB
PDBbind
108aa, >1O41_1|Chain... at 100%
1o42
RCSB PDB
PDBbind
108aa, >1O42_1|Chain... at 100%
1o43
RCSB PDB
PDBbind
108aa, >1O43_1|Chain... at 100%
1o44
RCSB PDB
PDBbind
108aa, >1O44_1|Chain... at 100%
1o45
RCSB PDB
PDBbind
108aa, >1O45_1|Chain... at 100%
1o46
RCSB PDB
PDBbind
108aa, >1O46_1|Chain... at 100%
1o47
RCSB PDB
PDBbind
108aa, >1O47_1|Chain... at 100%
1o48
RCSB PDB
PDBbind
108aa, >1O48_1|Chain... at 100%
1o49
RCSB PDB
PDBbind
108aa, >1O49_1|Chain... at 100%
1o4a
RCSB PDB
PDBbind
108aa, >1O4A_1|Chain... at 100%
1o4b
RCSB PDB
PDBbind
108aa, >1O4B_1|Chain... at 100%
1o4d
RCSB PDB
PDBbind
108aa, >1O4D_1|Chain... at 100%
1o4e
RCSB PDB
PDBbind
108aa, >1O4E_1|Chain... at 100%
1o4f
RCSB PDB
PDBbind
108aa, >1O4F_1|Chain... at 100%
1o4g
RCSB PDB
PDBbind
108aa, >1O4G_1|Chain... at 100%
1o4h
RCSB PDB
PDBbind
108aa, >1O4H_1|Chain... at 100%
1o4i
RCSB PDB
PDBbind
108aa, >1O4I_1|Chain... at 100%
1o4j
RCSB PDB
PDBbind
108aa, >1O4J_1|Chain... at 100%
1o4k
RCSB PDB
PDBbind
108aa, >1O4K_1|Chain... at 100%
1o4m
RCSB PDB
PDBbind
108aa, >1O4M_1|Chain... at 100%
1o4n
RCSB PDB
PDBbind
108aa, >1O4N_1|Chain... at 100%
1o4o
RCSB PDB
PDBbind
108aa, >1O4O_1|Chain... at 100%
1o4p
RCSB PDB
PDBbind
108aa, >1O4P_1|Chain... at 100%
1o4q
RCSB PDB
PDBbind
108aa, >1O4Q_1|Chain... at 100%
1o4r
RCSB PDB
PDBbind
108aa, >1O4R_1|Chain... at 100%
1prl
RCSB PDB
PDBbind
64aa, >1PRL_1|Chain... at 96%
1prm
RCSB PDB
PDBbind
64aa, >1PRM_1|Chain... at 96%
1rlp
RCSB PDB
PDBbind
64aa, >1RLP_1|Chain... at 96%
1rlq
RCSB PDB
PDBbind
64aa, >1RLQ_1|Chain... at 96%
1shd
RCSB PDB
PDBbind
107aa, >1SHD_1|Chain... at 99%
1skj
RCSB PDB
PDBbind
113aa, >1SKJ_1|Chain... at 90%
1y57
RCSB PDB
PDBbind
452aa, >1Y57_1|Chain... at 99%
2bdf
RCSB PDB
PDBbind
279aa, >2BDF_1|Chains... at 100%
2bdj
RCSB PDB
PDBbind
279aa, >2BDJ_1|Chain... at 100%
2h8h
RCSB PDB
PDBbind
535aa, >2H8H_1|Chain... *
2hwo
RCSB PDB
PDBbind
286aa, >2HWO_1|Chains... at 97%
2hwp
RCSB PDB
PDBbind
286aa, >2HWP_1|Chains... at 97%
2oiq
RCSB PDB
PDBbind
286aa, >2OIQ_1|Chains... at 98%
2qlq
RCSB PDB
PDBbind
286aa, >2QLQ_1|Chains... at 97%
2qq7
RCSB PDB
PDBbind
286aa, >2QQ7_1|Chains... at 97%
3el7
RCSB PDB
PDBbind
286aa, >3EL7_1|Chain... at 98%
3el8
RCSB PDB
PDBbind
286aa, >3EL8_1|Chains... at 98%
3f3t
RCSB PDB
PDBbind
286aa, >3F3T_1|Chains... at 97%
3f3u
RCSB PDB
PDBbind
286aa, >3F3U_1|Chains... at 97%
3f3v
RCSB PDB
PDBbind
286aa, >3F3V_1|Chains... at 97%
3f3w
RCSB PDB
PDBbind
286aa, >3F3W_1|Chains... at 97%
3g5d
RCSB PDB
PDBbind
286aa, >3G5D_1|Chains... at 97%
3g6g
RCSB PDB
PDBbind
286aa, >3G6G_1|Chains... at 98%
3g6h
RCSB PDB
PDBbind
286aa, >3G6H_1|Chains... at 97%
3lok
RCSB PDB
PDBbind
286aa, >3LOK_1|Chains... at 97%
3svv
RCSB PDB
PDBbind
286aa, >3SVV_1|Chains... at 97%
3u4w
RCSB PDB
PDBbind
275aa, >3U4W_1|Chain... at 99%
3u51
RCSB PDB
PDBbind
275aa, >3U51_1|Chains... at 99%
3uqf
RCSB PDB
PDBbind
286aa, >3UQF_1|Chains... at 98%
3uqg
RCSB PDB
PDBbind
286aa, >3UQG_1|Chains... at 98%
4dgg
RCSB PDB
PDBbind
286aa, >4DGG_1|Chains... at 98%
4fic
RCSB PDB
PDBbind
286aa, >4FIC_1|Chains... at 98%
4hxj
RCSB PDB
PDBbind
60aa, >4HXJ_1|Chains... at 98%
4lgg
RCSB PDB
PDBbind
270aa, >4LGG_1|Chains... at 98%
4lgh
RCSB PDB
PDBbind
277aa, >4LGH_1|Chains... at 98%
4mcv
RCSB PDB
PDBbind
278aa, >4MCV_1|Chains... at 98%
4o2p
RCSB PDB
PDBbind
286aa, >4O2P_1|Chains... at 98%
4u5j
RCSB PDB
PDBbind
286aa, >4U5J_1|Chains... at 98%
4ybj
RCSB PDB
PDBbind
286aa, >4YBJ_1|Chains... at 98%
4ybk
RCSB PDB
PDBbind
286aa, >4YBK_1|Chain... at 98%
5bmm
RCSB PDB
PDBbind
286aa, >5BMM_1|Chains... at 98%
5d10
RCSB PDB
PDBbind
286aa, >5D10_1|Chains... at 97%
5d11
RCSB PDB
PDBbind
286aa, >5D11_1|Chains... at 97%
5d12
RCSB PDB
PDBbind
286aa, >5D12_1|Chains... at 97%
6f3f
RCSB PDB
PDBbind
455aa, >6F3F_1|Chain... at 98%
5xp7
RCSB PDB
PDBbind
286aa, >5XP7_1|Chains... at 98%
5teh
RCSB PDB
PDBbind
286aa, >5TEH_1|Chains... at 97%
5sys
RCSB PDB
PDBbind
286aa, >5SYS_1|Chains... at 97%
5swh
RCSB PDB
PDBbind
286aa, >5SWH_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1i2s
RCSB PDB
PDBbind
CIT
1rq2
RCSB PDB
PDBbind
CIT
2c4v
RCSB PDB
PDBbind
CIT
2fw6
RCSB PDB
PDBbind
CIT
2fwp
RCSB PDB
PDBbind
CIT
2qpq
RCSB PDB
PDBbind
CIT
3itc
RCSB PDB
PDBbind
CIT
3kgq
RCSB PDB
PDBbind
CIT
4aci
RCSB PDB
PDBbind
CIT
4eu3
RCSB PDB
PDBbind
CIT
4o61
RCSB PDB
PDBbind
CIT
4oi6
RCSB PDB
PDBbind
CIT
4rgd
RCSB PDB
PDBbind
CIT
6knh
RCSB PDB
PDBbind
CIT
5go2
RCSB PDB
PDBbind
CIT
Entry Information
PDB ID
1o4l
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
proto-oncogene tyrosine-protein kinase src
Ligand Name
CIT
EC.Number
E.C.2.7.1.112
Resolution
1.65(Å)
Affinity (Kd/Ki/IC50)
IC50>40mM
Release Year
2004
Protein/NA Sequence
Check fasta file
Primary Reference
J.Med.Chem. v46 pp. 5184-95, 2003
Ligand Properties
Formula
C
6
H
8
O
7
Molecular Weight
192.124
Exact Mass
192.027
No. of atoms
21
No. of bonds
20
Polar Surface Area
132.13
LOGP Value
1.76 (
Computed with XLOGP3
)
-1.25 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 0
Canonical SMILES
OC(=O)C(CC(=O)O)(CC(=O)O)O
InChI String
InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
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):
P12931
Entrez Gene ID
NCBI Entrez Gene ID:
6714
ASD
Information of known allosteric effects of PDB entries
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