Browse entries in the PDBbind-CN Database
HEADER 1L2Z_COMPLEX COMPND 1L2Z_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 62 ASP VAL MET TRP GLU TYR LYS TRP GLU ASN THR GLY ASP SEQRES 2 A 62 ALA GLU LEU TYR GLY PRO PHE THR SER ALA GLN MET GLN SEQRES 3 A 62 THR TRP VAL SER GLU GLY TYR PHE PRO ASP GLY VAL TYR SEQRES 4 A 62 CYS ARG LYS LEU ASP PRO PRO GLY GLY GLN PHE TYR ASN SEQRES 5 A 62 SER LYS ARG ILE ASP PHE ASP LEU TYR THR HET SER A 63 175 ATOM 1 N ASP A 1 -5.530 15.194 -0.372 1.00 0.00 N ATOM 2 CA ASP A 1 -4.800 13.942 -0.704 1.00 0.00 C ATOM 3 C ASP A 1 -5.571 12.713 -0.232 1.00 0.00 C ATOM 4 O ASP A 1 -6.670 12.827 0.308 1.00 0.00 O ATOM 5 CB ASP A 1 -3.423 13.990 -0.039 1.00 0.00 C ATOM 6 CG ASP A 1 -3.509 14.234 1.455 1.00 0.00 C ATOM 7 OD1 ASP A 1 -4.477 13.752 2.080 1.00 0.00 O ATOM 8 OD2 ASP A 1 -2.611 14.910 1.998 1.00 0.00 O ATOM 9 HA ASP A 1 -4.692 13.866 -1.786 1.00 0.00 H ATOM 10 HB2 ASP A 1 -2.918 13.039 -0.210 1.00 0.00 H ATOM 11 HB3 ASP A 1 -2.843 14.794 -0.492 1.00 0.00 H ATOM 12 HN3 ASP A 1 -5.657 15.257 0.658 1.00 0.00 H ATOM 13 HN2 ASP A 1 -6.460 15.186 -0.838 1.00 0.00 H ATOM 14 HN1 ASP A 1 -4.981 16.012 -0.705 1.00 0.00 H ATOM 15 N VAL A 2 -4.986 11.538 -0.440 1.00 0.00 N ATOM 16 CA VAL A 2 -5.614 10.289 -0.036 1.00 0.00 C ATOM 17 C VAL A 2 -4.570 9.202 0.200 1.00 0.00 C ATOM 18 O VAL A 2 -3.969 8.689 -0.744 1.00 0.00 O ATOM 19 CB VAL A 2 -6.624 9.798 -1.092 1.00 0.00 C ATOM 20 CG1 VAL A 2 -7.358 8.558 -0.602 1.00 0.00 C ATOM 21 CG2 VAL A 2 -7.610 10.902 -1.444 1.00 0.00 C ATOM 22 HA VAL A 2 -6.145 10.488 0.895 1.00 0.00 H ATOM 23 HB VAL A 2 -6.072 9.531 -1.993 1.00 0.00 H ATOM 24 HG11 VAL A 2 -6.637 7.764 -0.408 1.00 0.00 H ATOM 25 HG12 VAL A 2 -7.896 8.795 0.316 1.00 0.00 H ATOM 26 HG13 VAL A 2 -8.065 8.231 -1.364 1.00 0.00 H ATOM 27 HG21 VAL A 2 -8.153 11.202 -0.548 1.00 0.00 H ATOM 28 HG22 VAL A 2 -7.067 11.758 -1.845 1.00 0.00 H ATOM 29 HG23 VAL A 2 -8.314 10.534 -2.191 1.00 0.00 H ATOM 30 H VAL A 2 -4.055 11.510 -0.903 1.00 0.00 H ATOM 31 N MET A 3 -4.361 8.855 1.465 1.00 0.00 N ATOM 32 CA MET A 3 -3.394 7.825 1.825 1.00 0.00 C ATOM 33 C MET A 3 -3.967 6.435 1.573 1.00 0.00 C ATOM 34 O MET A 3 -5.181 6.267 1.463 1.00 0.00 O ATOM 35 CB MET A 3 -2.991 7.966 3.294 1.00 0.00 C ATOM 36 CG MET A 3 -2.276 9.271 3.607 1.00 0.00 C ATOM 37 SD MET A 3 -2.320 9.684 5.362 1.00 0.00 S ATOM 38 CE MET A 3 -0.967 10.852 5.468 1.00 0.00 C ATOM 39 HA MET A 3 -2.510 7.954 1.200 1.00 0.00 H ATOM 40 HB2 MET A 3 -3.892 7.911 3.905 1.00 0.00 H ATOM 41 HB3 MET A 3 -2.328 7.140 3.551 1.00 0.00 H ATOM 42 HG2 MET A 3 -2.755 10.074 3.047 1.00 0.00 H ATOM 43 HG3 MET A 3 -1.235 9.182 3.295 1.00 0.00 H ATOM 44 HE1 MET A 3 -0.043 10.365 5.157 1.00 0.00 H ATOM 45 HE2 MET A 3 -1.169 11.701 4.815 1.00 0.00 H ATOM 46 HE3 MET A 3 -0.868 11.199 6.496 1.00 0.00 H ATOM 47 H MET A 3 -4.900 9.330 2.217 1.00 0.00 H ATOM 48 N TRP A 4 -3.089 5.442 1.478 1.00 0.00 N ATOM 49 CA TRP A 4 -3.521 4.071 1.232 1.00 0.00 C ATOM 50 C TRP A 4 -2.648 3.066 1.976 1.00 0.00 C ATOM 51 O TRP A 4 -1.453 2.947 1.706 1.00 0.00 O ATOM 52 CB TRP A 4 -3.493 3.765 -0.264 1.00 0.00 C ATOM 53 CG TRP A 4 -4.555 4.483 -1.037 1.00 0.00 C ATOM 54 CD1 TRP A 4 -4.568 5.802 -1.382 1.00 0.00 C ATOM 55 CD2 TRP A 4 -5.761 3.917 -1.559 1.00 0.00 C ATOM 56 NE1 TRP A 4 -5.709 6.093 -2.090 1.00 0.00 N ATOM 57 CE2 TRP A 4 -6.459 4.952 -2.212 1.00 0.00 C ATOM 58 CE3 TRP A 4 -6.319 2.637 -1.539 1.00 0.00 C ATOM 59 CZ2 TRP A 4 -7.684 4.743 -2.838 1.00 0.00 C ATOM 60 CZ3 TRP A 4 -7.535 2.432 -2.161 1.00 0.00 C ATOM 61 CH2 TRP A 4 -8.206 3.479 -2.803 1.00 0.00 C ATOM 62 HA TRP A 4 -4.541 3.978 1.604 1.00 0.00 H ATOM 63 HB2 TRP A 4 -2.520 4.058 -0.659 1.00 0.00 H ATOM 64 HB3 TRP A 4 -3.631 2.692 -0.400 1.00 0.00 H ATOM 65 HE1 TRP A 4 -5.962 7.027 -2.471 1.00 0.00 H ATOM 66 HD1 TRP A 4 -3.787 6.521 -1.133 1.00 0.00 H ATOM 67 HZ2 TRP A 4 -8.209 5.557 -3.338 1.00 0.00 H ATOM 68 HH2 TRP A 4 -9.164 3.283 -3.285 1.00 0.00 H ATOM 69 HZ3 TRP A 4 -7.980 1.437 -2.152 1.00 0.00 H ATOM 70 HE3 TRP A 4 -5.804 1.815 -1.042 1.00 0.00 H ATOM 71 H TRP A 4 -2.075 5.646 1.581 1.00 0.00 H ATOM 72 N GLU A 5 -3.260 2.336 2.901 1.00 0.00 N ATOM 73 CA GLU A 5 -2.548 1.328 3.679 1.00 0.00 C ATOM 74 C GLU A 5 -2.134 0.162 2.787 1.00 0.00 C ATOM 75 O GLU A 5 -2.631 0.022 1.671 1.00 0.00 O ATOM 76 CB GLU A 5 -3.428 0.824 4.826 1.00 0.00 C ATOM 77 CG GLU A 5 -2.964 1.288 6.197 1.00 0.00 C ATOM 78 CD GLU A 5 -4.120 1.646 7.111 1.00 0.00 C ATOM 79 OE1 GLU A 5 -5.244 1.157 6.868 1.00 0.00 O ATOM 80 OE2 GLU A 5 -3.901 2.415 8.071 1.00 0.00 O ATOM 81 HA GLU A 5 -1.651 1.784 4.097 1.00 0.00 H ATOM 82 HB2 GLU A 5 -4.444 1.184 4.665 1.00 0.00 H ATOM 83 HB3 GLU A 5 -3.424 -0.266 4.811 1.00 0.00 H ATOM 84 HG2 GLU A 5 -2.387 0.488 6.660 1.00 0.00 H ATOM 85 HG3 GLU A 5 -2.331 2.167 6.073 1.00 0.00 H ATOM 86 H GLU A 5 -4.274 2.487 3.076 1.00 0.00 H ATOM 87 N TYR A 6 -1.230 -0.674 3.285 1.00 0.00 N ATOM 88 CA TYR A 6 -0.765 -1.831 2.525 1.00 0.00 C ATOM 89 C TYR A 6 -0.273 -2.938 3.455 1.00 0.00 C ATOM 90 O TYR A 6 0.496 -2.687 4.385 1.00 0.00 O ATOM 91 CB TYR A 6 0.338 -1.428 1.534 1.00 0.00 C ATOM 92 CG TYR A 6 1.741 -1.458 2.107 1.00 0.00 C ATOM 93 CD1 TYR A 6 2.423 -2.659 2.256 1.00 0.00 C ATOM 94 CD2 TYR A 6 2.383 -0.287 2.492 1.00 0.00 C ATOM 95 CE1 TYR A 6 3.704 -2.693 2.775 1.00 0.00 C ATOM 96 CE2 TYR A 6 3.665 -0.314 3.010 1.00 0.00 C ATOM 97 CZ TYR A 6 4.319 -1.520 3.149 1.00 0.00 C ATOM 98 OH TYR A 6 5.595 -1.550 3.665 1.00 0.00 O ATOM 99 HA TYR A 6 -1.611 -2.218 1.957 1.00 0.00 H ATOM 100 HB3 TYR A 6 0.133 -0.415 1.189 1.00 0.00 H ATOM 101 HB2 TYR A 6 0.301 -2.113 0.687 1.00 0.00 H ATOM 102 HD2 TYR A 6 1.868 0.668 2.384 1.00 0.00 H ATOM 103 HE2 TYR A 6 4.156 0.613 3.307 1.00 0.00 H ATOM 104 HE1 TYR A 6 4.224 -3.644 2.887 1.00 0.00 H ATOM 105 HD1 TYR A 6 1.940 -3.590 1.959 1.00 0.00 H ATOM 106 HH TYR A 6 5.915 -2.486 3.697 1.00 0.00 H ATOM 107 H TYR A 6 -0.845 -0.501 4.236 1.00 0.00 H ATOM 108 N LYS A 7 -0.716 -4.161 3.190 1.00 0.00 N ATOM 109 CA LYS A 7 -0.320 -5.311 3.989 1.00 0.00 C ATOM 110 C LYS A 7 0.285 -6.391 3.099 1.00 0.00 C ATOM 111 O LYS A 7 -0.328 -6.819 2.121 1.00 0.00 O ATOM 112 CB LYS A 7 -1.523 -5.872 4.752 1.00 0.00 C ATOM 113 CG LYS A 7 -1.201 -7.110 5.574 1.00 0.00 C ATOM 114 CD LYS A 7 -2.464 -7.852 5.983 1.00 0.00 C ATOM 115 CE LYS A 7 -2.998 -7.353 7.317 1.00 0.00 C ATOM 116 NZ LYS A 7 -4.472 -7.146 7.282 1.00 0.00 N ATOM 117 HA LYS A 7 0.431 -4.988 4.710 1.00 0.00 H ATOM 118 HB2 LYS A 7 -1.895 -5.099 5.424 1.00 0.00 H ATOM 119 HB3 LYS A 7 -2.299 -6.129 4.031 1.00 0.00 H ATOM 120 HG2 LYS A 7 -0.575 -7.776 4.981 1.00 0.00 H ATOM 121 HG3 LYS A 7 -0.661 -6.809 6.471 1.00 0.00 H ATOM 122 HD2 LYS A 7 -3.226 -7.703 5.218 1.00 0.00 H ATOM 123 HD3 LYS A 7 -2.239 -8.915 6.067 1.00 0.00 H ATOM 124 HE2 LYS A 7 -2.514 -6.407 7.559 1.00 0.00 H ATOM 125 HE3 LYS A 7 -2.763 -8.087 8.088 1.00 0.00 H ATOM 126 HZ1 LYS A 7 -4.705 -6.442 6.553 1.00 0.00 H ATOM 127 HZ2 LYS A 7 -4.942 -8.046 7.058 1.00 0.00 H ATOM 128 HZ3 LYS A 7 -4.795 -6.806 8.210 1.00 0.00 H ATOM 129 H LYS A 7 -1.364 -4.301 2.389 1.00 0.00 H ATOM 130 N TRP A 8 1.494 -6.824 3.440 1.00 0.00 N ATOM 131 CA TRP A 8 2.183 -7.850 2.667 1.00 0.00 C ATOM 132 C TRP A 8 1.340 -9.117 2.560 1.00 0.00 C ATOM 133 O TRP A 8 1.191 -9.686 1.479 1.00 0.00 O ATOM 134 CB TRP A 8 3.534 -8.172 3.305 1.00 0.00 C ATOM 135 CG TRP A 8 4.556 -7.093 3.109 1.00 0.00 C ATOM 136 CD1 TRP A 8 5.160 -6.348 4.081 1.00 0.00 C ATOM 137 CD2 TRP A 8 5.092 -6.636 1.861 1.00 0.00 C ATOM 138 NE1 TRP A 8 6.039 -5.458 3.514 1.00 0.00 N ATOM 139 CE2 TRP A 8 6.017 -5.616 2.154 1.00 0.00 C ATOM 140 CE3 TRP A 8 4.882 -6.991 0.525 1.00 0.00 C ATOM 141 CZ2 TRP A 8 6.729 -4.948 1.161 1.00 0.00 C ATOM 142 CZ3 TRP A 8 5.590 -6.327 -0.460 1.00 0.00 C ATOM 143 CH2 TRP A 8 6.505 -5.317 -0.137 1.00 0.00 C ATOM 144 HA TRP A 8 2.345 -7.463 1.661 1.00 0.00 H ATOM 145 HB2 TRP A 8 3.385 -8.318 4.375 1.00 0.00 H ATOM 146 HB3 TRP A 8 3.914 -9.093 2.864 1.00 0.00 H ATOM 147 HE1 TRP A 8 6.626 -4.775 4.033 1.00 0.00 H ATOM 148 HD1 TRP A 8 4.972 -6.445 5.150 1.00 0.00 H ATOM 149 HZ2 TRP A 8 7.439 -4.159 1.409 1.00 0.00 H ATOM 150 HH2 TRP A 8 7.050 -4.815 -0.936 1.00 0.00 H ATOM 151 HZ3 TRP A 8 5.433 -6.594 -1.505 1.00 0.00 H ATOM 152 HE3 TRP A 8 4.173 -7.777 0.265 1.00 0.00 H ATOM 153 H TRP A 8 1.960 -6.421 4.278 1.00 0.00 H ATOM 154 N GLU A 9 0.789 -9.553 3.687 1.00 0.00 N ATOM 155 CA GLU A 9 -0.040 -10.752 3.718 1.00 0.00 C ATOM 156 C GLU A 9 -1.521 -10.387 3.738 1.00 0.00 C ATOM 157 O GLU A 9 -1.882 -9.211 3.677 1.00 0.00 O ATOM 158 CB GLU A 9 0.307 -11.606 4.938 1.00 0.00 C ATOM 159 CG GLU A 9 1.325 -12.697 4.647 1.00 0.00 C ATOM 160 CD GLU A 9 2.737 -12.158 4.526 1.00 0.00 C ATOM 161 OE1 GLU A 9 2.976 -11.312 3.640 1.00 0.00 O ATOM 162 OE2 GLU A 9 3.604 -12.583 5.319 1.00 0.00 O ATOM 163 HA GLU A 9 0.161 -11.328 2.814 1.00 0.00 H ATOM 164 HB2 GLU A 9 0.712 -10.954 5.712 1.00 0.00 H ATOM 165 HB3 GLU A 9 -0.607 -12.075 5.302 1.00 0.00 H ATOM 166 HG2 GLU A 9 1.297 -13.426 5.457 1.00 0.00 H ATOM 167 HG3 GLU A 9 1.056 -13.186 3.711 1.00 0.00 H ATOM 168 H GLU A 9 0.953 -9.026 4.569 1.00 0.00 H ATOM 169 N ASN A 10 -2.375 -11.401 3.826 1.00 0.00 N ATOM 170 CA ASN A 10 -3.818 -11.187 3.853 1.00 0.00 C ATOM 171 C ASN A 10 -4.426 -11.742 5.136 1.00 0.00 C ATOM 172 O ASN A 10 -5.515 -12.315 5.124 1.00 0.00 O ATOM 173 CB ASN A 10 -4.476 -11.843 2.638 1.00 0.00 C ATOM 174 CG ASN A 10 -4.009 -13.270 2.429 1.00 0.00 C ATOM 175 OD1 ASN A 10 -3.263 -13.561 1.494 1.00 0.00 O ATOM 176 ND2 ASN A 10 -4.446 -14.170 3.303 1.00 0.00 N ATOM 177 HA ASN A 10 -4.001 -10.113 3.820 1.00 0.00 H ATOM 178 HB2 ASN A 10 -5.556 -11.845 2.783 1.00 0.00 H ATOM 179 HB3 ASN A 10 -4.231 -11.261 1.750 1.00 0.00 H ATOM 180 HD22 ASN A 10 -5.075 -13.879 4.078 1.00 0.00 H ATOM 181 HD21 ASN A 10 -4.159 -15.165 3.212 1.00 0.00 H ATOM 182 H ASN A 10 -2.006 -12.372 3.877 1.00 0.00 H ATOM 183 N THR A 11 -3.713 -11.571 6.243 1.00 0.00 N ATOM 184 CA THR A 11 -4.178 -12.055 7.536 1.00 0.00 C ATOM 185 C THR A 11 -4.578 -10.898 8.442 1.00 0.00 C ATOM 186 O THR A 11 -4.247 -9.744 8.174 1.00 0.00 O ATOM 187 CB THR A 11 -3.090 -12.887 8.218 1.00 0.00 C ATOM 188 OG1 THR A 11 -2.184 -12.053 8.919 1.00 0.00 O ATOM 189 CG2 THR A 11 -2.282 -13.729 7.257 1.00 0.00 C ATOM 190 HA THR A 11 -5.054 -12.680 7.361 1.00 0.00 H ATOM 191 HB THR A 11 -3.625 -13.552 8.896 1.00 0.00 H ATOM 192 HG1 THR A 11 -1.490 -12.611 9.351 1.00 0.00 H ATOM 193 HG23 THR A 11 -2.951 -14.385 6.700 1.00 0.00 H ATOM 194 HG21 THR A 11 -1.749 -13.077 6.564 1.00 0.00 H ATOM 195 HG22 THR A 11 -1.565 -14.330 7.817 1.00 0.00 H ATOM 196 H THR A 11 -2.799 -11.079 6.186 1.00 0.00 H ATOM 197 N GLY A 12 -5.280 -11.218 9.522 1.00 0.00 N ATOM 198 CA GLY A 12 -5.699 -10.197 10.461 1.00 0.00 C ATOM 199 C GLY A 12 -4.603 -9.844 11.451 1.00 0.00 C ATOM 200 O GLY A 12 -4.768 -8.946 12.276 1.00 0.00 O ATOM 201 HA3 GLY A 12 -6.566 -10.561 11.012 1.00 0.00 H ATOM 202 HA2 GLY A 12 -5.973 -9.300 9.906 1.00 0.00 H ATOM 203 H GLY A 12 -5.532 -12.212 9.696 1.00 0.00 H ATOM 204 N ASP A 13 -3.480 -10.556 11.368 1.00 0.00 N ATOM 205 CA ASP A 13 -2.352 -10.318 12.260 1.00 0.00 C ATOM 206 C ASP A 13 -1.178 -9.702 11.505 1.00 0.00 C ATOM 207 O ASP A 13 -0.343 -9.018 12.097 1.00 0.00 O ATOM 208 CB ASP A 13 -1.916 -11.626 12.923 1.00 0.00 C ATOM 209 CG ASP A 13 -3.034 -12.273 13.717 1.00 0.00 C ATOM 210 OD1 ASP A 13 -3.891 -11.535 14.247 1.00 0.00 O ATOM 211 OD2 ASP A 13 -3.051 -13.518 13.810 1.00 0.00 O ATOM 212 HA ASP A 13 -2.673 -9.616 13.030 1.00 0.00 H ATOM 213 HB2 ASP A 13 -1.590 -12.320 12.148 1.00 0.00 H ATOM 214 HB3 ASP A 13 -1.084 -11.417 13.596 1.00 0.00 H ATOM 215 H ASP A 13 -3.406 -11.302 10.647 1.00 0.00 H ATOM 216 N ALA A 14 -1.115 -9.954 10.196 1.00 0.00 N ATOM 217 CA ALA A 14 -0.038 -9.424 9.360 1.00 0.00 C ATOM 218 C ALA A 14 0.267 -7.963 9.689 1.00 0.00 C ATOM 219 O ALA A 14 -0.530 -7.284 10.336 1.00 0.00 O ATOM 220 CB ALA A 14 -0.397 -9.566 7.888 1.00 0.00 C ATOM 221 HA ALA A 14 0.860 -10.005 9.570 1.00 0.00 H ATOM 222 HB1 ALA A 14 -0.547 -10.619 7.652 1.00 0.00 H ATOM 223 HB2 ALA A 14 -1.313 -9.012 7.684 1.00 0.00 H ATOM 224 HB3 ALA A 14 0.413 -9.168 7.278 1.00 0.00 H ATOM 225 H ALA A 14 -1.852 -10.543 9.758 1.00 0.00 H ATOM 226 N GLU A 15 1.425 -7.491 9.239 1.00 0.00 N ATOM 227 CA GLU A 15 1.838 -6.117 9.484 1.00 0.00 C ATOM 228 C GLU A 15 0.935 -5.141 8.741 1.00 0.00 C ATOM 229 O GLU A 15 0.589 -5.356 7.580 1.00 0.00 O ATOM 230 CB GLU A 15 3.292 -5.906 9.054 1.00 0.00 C ATOM 231 CG GLU A 15 4.200 -7.089 9.354 1.00 0.00 C ATOM 232 CD GLU A 15 5.671 -6.746 9.222 1.00 0.00 C ATOM 233 OE1 GLU A 15 6.094 -5.715 9.786 1.00 0.00 O ATOM 234 OE2 GLU A 15 6.400 -7.508 8.554 1.00 0.00 O ATOM 235 HA GLU A 15 1.754 -5.928 10.554 1.00 0.00 H ATOM 236 HB2 GLU A 15 3.310 -5.723 7.980 1.00 0.00 H ATOM 237 HB3 GLU A 15 3.682 -5.032 9.577 1.00 0.00 H ATOM 238 HG2 GLU A 15 4.010 -7.425 10.373 1.00 0.00 H ATOM 239 HG3 GLU A 15 3.966 -7.894 8.658 1.00 0.00 H ATOM 240 H GLU A 15 2.052 -8.120 8.698 1.00 0.00 H ATOM 241 N LEU A 16 0.558 -4.069 9.423 1.00 0.00 N ATOM 242 CA LEU A 16 -0.307 -3.052 8.837 1.00 0.00 C ATOM 243 C LEU A 16 0.461 -1.758 8.588 1.00 0.00 C ATOM 244 O LEU A 16 0.803 -1.037 9.525 1.00 0.00 O ATOM 245 CB LEU A 16 -1.504 -2.782 9.752 1.00 0.00 C ATOM 246 CG LEU A 16 -2.854 -2.679 9.039 1.00 0.00 C ATOM 247 CD1 LEU A 16 -2.887 -1.457 8.134 1.00 0.00 C ATOM 248 CD2 LEU A 16 -3.137 -3.946 8.244 1.00 0.00 C ATOM 249 HA LEU A 16 -0.668 -3.427 7.879 1.00 0.00 H ATOM 250 HB2 LEU A 16 -1.565 -3.594 10.477 1.00 0.00 H ATOM 251 HB3 LEU A 16 -1.325 -1.842 10.275 1.00 0.00 H ATOM 252 HG LEU A 16 -3.634 -2.568 9.792 1.00 0.00 H ATOM 253 HD21 LEU A 16 -2.354 -4.089 7.500 1.00 0.00 H ATOM 254 HD22 LEU A 16 -3.158 -4.801 8.920 1.00 0.00 H ATOM 255 HD23 LEU A 16 -4.101 -3.852 7.745 1.00 0.00 H ATOM 256 HD11 LEU A 16 -2.733 -0.559 8.732 1.00 0.00 H ATOM 257 HD12 LEU A 16 -2.097 -1.538 7.387 1.00 0.00 H ATOM 258 HD13 LEU A 16 -3.855 -1.401 7.636 1.00 0.00 H ATOM 259 H LEU A 16 0.888 -3.950 10.402 1.00 0.00 H ATOM 260 N TYR A 17 0.728 -1.473 7.319 1.00 0.00 N ATOM 261 CA TYR A 17 1.453 -0.267 6.941 1.00 0.00 C ATOM 262 C TYR A 17 0.719 0.473 5.826 1.00 0.00 C ATOM 263 O TYR A 17 -0.454 0.212 5.564 1.00 0.00 O ATOM 264 CB TYR A 17 2.871 -0.624 6.485 1.00 0.00 C ATOM 265 CG TYR A 17 3.684 -1.347 7.532 1.00 0.00 C ATOM 266 CD1 TYR A 17 3.992 -0.737 8.741 1.00 0.00 C ATOM 267 CD2 TYR A 17 4.151 -2.635 7.308 1.00 0.00 C ATOM 268 CE1 TYR A 17 4.742 -1.392 9.698 1.00 0.00 C ATOM 269 CE2 TYR A 17 4.903 -3.297 8.260 1.00 0.00 C ATOM 270 CZ TYR A 17 5.195 -2.671 9.453 1.00 0.00 C ATOM 271 OH TYR A 17 5.943 -3.325 10.405 1.00 0.00 O ATOM 272 HA TYR A 17 1.513 0.386 7.812 1.00 0.00 H ATOM 273 HB3 TYR A 17 3.390 0.298 6.222 1.00 0.00 H ATOM 274 HB2 TYR A 17 2.799 -1.262 5.604 1.00 0.00 H ATOM 275 HD2 TYR A 17 3.921 -3.132 6.366 1.00 0.00 H ATOM 276 HE2 TYR A 17 5.263 -4.308 8.069 1.00 0.00 H ATOM 277 HE1 TYR A 17 4.975 -0.900 10.642 1.00 0.00 H ATOM 278 HD1 TYR A 17 3.636 0.274 8.938 1.00 0.00 H ATOM 279 HH TYR A 17 5.477 -4.155 10.676 1.00 0.00 H ATOM 280 H TYR A 17 0.411 -2.128 6.575 1.00 0.00 H ATOM 281 N GLY A 18 1.421 1.387 5.166 1.00 0.00 N ATOM 282 CA GLY A 18 0.831 2.140 4.084 1.00 0.00 C ATOM 283 C GLY A 18 0.148 3.429 4.516 1.00 0.00 C ATOM 284 O GLY A 18 -0.784 3.876 3.850 1.00 0.00 O ATOM 285 HA3 GLY A 18 0.090 1.509 3.593 1.00 0.00 H ATOM 286 HA2 GLY A 18 1.619 2.392 3.374 1.00 0.00 H ATOM 287 H GLY A 18 2.411 1.563 5.432 1.00 0.00 H ATOM 288 N PRO A 19 0.586 4.078 5.613 1.00 0.00 N ATOM 289 CA PRO A 19 -0.018 5.331 6.062 1.00 0.00 C ATOM 290 C PRO A 19 0.532 6.535 5.299 1.00 0.00 C ATOM 291 O PRO A 19 0.539 7.656 5.807 1.00 0.00 O ATOM 292 CB PRO A 19 0.395 5.396 7.528 1.00 0.00 C ATOM 293 CG PRO A 19 1.731 4.739 7.557 1.00 0.00 C ATOM 294 CD PRO A 19 1.698 3.666 6.496 1.00 0.00 C ATOM 295 HA PRO A 19 -1.096 5.358 5.902 1.00 0.00 H ATOM 296 HD3 PRO A 19 2.639 3.633 5.947 1.00 0.00 H ATOM 297 HD2 PRO A 19 1.502 2.689 6.937 1.00 0.00 H ATOM 298 HG3 PRO A 19 1.913 4.296 8.536 1.00 0.00 H ATOM 299 HG2 PRO A 19 2.514 5.465 7.336 1.00 0.00 H ATOM 300 HB2 PRO A 19 0.464 6.430 7.866 1.00 0.00 H ATOM 301 HB3 PRO A 19 -0.315 4.857 8.155 1.00 0.00 H ATOM 302 N PHE A 20 1.003 6.288 4.078 1.00 0.00 N ATOM 303 CA PHE A 20 1.569 7.336 3.239 1.00 0.00 C ATOM 304 C PHE A 20 0.549 7.825 2.218 1.00 0.00 C ATOM 305 O PHE A 20 -0.482 7.188 2.000 1.00 0.00 O ATOM 306 CB PHE A 20 2.818 6.817 2.523 1.00 0.00 C ATOM 307 CG PHE A 20 3.549 5.748 3.286 1.00 0.00 C ATOM 308 CD1 PHE A 20 3.177 4.418 3.166 1.00 0.00 C ATOM 309 CD2 PHE A 20 4.603 6.072 4.126 1.00 0.00 C ATOM 310 CE1 PHE A 20 3.845 3.432 3.867 1.00 0.00 C ATOM 311 CE2 PHE A 20 5.272 5.091 4.830 1.00 0.00 C ATOM 312 CZ PHE A 20 4.893 3.770 4.700 1.00 0.00 C ATOM 313 HA PHE A 20 1.844 8.175 3.878 1.00 0.00 H ATOM 314 HB2 PHE A 20 2.518 6.408 1.558 1.00 0.00 H ATOM 315 HB3 PHE A 20 3.498 7.654 2.365 1.00 0.00 H ATOM 316 HD2 PHE A 20 4.907 7.113 4.232 1.00 0.00 H ATOM 317 HE2 PHE A 20 6.099 5.359 5.488 1.00 0.00 H ATOM 318 HZ PHE A 20 5.421 2.994 5.255 1.00 0.00 H ATOM 319 HE1 PHE A 20 3.545 2.389 3.762 1.00 0.00 H ATOM 320 HD1 PHE A 20 2.349 4.147 2.512 1.00 0.00 H ATOM 321 H PHE A 20 0.966 5.315 3.712 1.00 0.00 H ATOM 322 N THR A 21 0.846 8.958 1.593 1.00 0.00 N ATOM 323 CA THR A 21 -0.044 9.532 0.591 1.00 0.00 C ATOM 324 C THR A 21 -0.071 8.672 -0.665 1.00 0.00 C ATOM 325 O THR A 21 0.917 8.018 -1.000 1.00 0.00 O ATOM 326 CB THR A 21 0.404 10.952 0.238 1.00 0.00 C ATOM 327 OG1 THR A 21 1.796 10.990 -0.019 1.00 0.00 O ATOM 328 CG2 THR A 21 0.111 11.961 1.328 1.00 0.00 C ATOM 329 HA THR A 21 -1.050 9.567 1.009 1.00 0.00 H ATOM 330 HB THR A 21 -0.169 11.223 -0.649 1.00 0.00 H ATOM 331 HG1 THR A 21 2.064 11.916 -0.245 1.00 0.00 H ATOM 332 HG23 THR A 21 -0.956 11.955 1.549 1.00 0.00 H ATOM 333 HG21 THR A 21 0.671 11.697 2.225 1.00 0.00 H ATOM 334 HG22 THR A 21 0.408 12.954 0.991 1.00 0.00 H ATOM 335 H THR A 21 1.734 9.447 1.824 1.00 0.00 H ATOM 336 N SER A 22 -1.205 8.682 -1.364 1.00 0.00 N ATOM 337 CA SER A 22 -1.351 7.907 -2.594 1.00 0.00 C ATOM 338 C SER A 22 -0.136 8.112 -3.491 1.00 0.00 C ATOM 339 O SER A 22 0.258 7.220 -4.243 1.00 0.00 O ATOM 340 CB SER A 22 -2.627 8.318 -3.335 1.00 0.00 C ATOM 341 OG SER A 22 -3.512 7.220 -3.475 1.00 0.00 O ATOM 342 HA SER A 22 -1.423 6.851 -2.333 1.00 0.00 H ATOM 343 HB2 SER A 22 -2.360 8.689 -4.325 1.00 0.00 H ATOM 344 HB3 SER A 22 -3.126 9.108 -2.774 1.00 0.00 H ATOM 345 HG SER A 22 -3.761 6.882 -2.578 1.00 0.00 H ATOM 346 H SER A 22 -2.005 9.255 -1.026 1.00 0.00 H ATOM 347 N ALA A 23 0.459 9.294 -3.387 1.00 0.00 N ATOM 348 CA ALA A 23 1.639 9.635 -4.164 1.00 0.00 C ATOM 349 C ALA A 23 2.803 8.721 -3.798 1.00 0.00 C ATOM 350 O ALA A 23 3.451 8.139 -4.669 1.00 0.00 O ATOM 351 CB ALA A 23 2.010 11.088 -3.923 1.00 0.00 C ATOM 352 HA ALA A 23 1.417 9.496 -5.222 1.00 0.00 H ATOM 353 HB1 ALA A 23 1.181 11.728 -4.225 1.00 0.00 H ATOM 354 HB2 ALA A 23 2.219 11.237 -2.864 1.00 0.00 H ATOM 355 HB3 ALA A 23 2.895 11.338 -4.508 1.00 0.00 H ATOM 356 H ALA A 23 0.069 9.998 -2.729 1.00 0.00 H ATOM 357 N GLN A 24 3.061 8.599 -2.500 1.00 0.00 N ATOM 358 CA GLN A 24 4.143 7.756 -2.010 1.00 0.00 C ATOM 359 C GLN A 24 3.862 6.289 -2.305 1.00 0.00 C ATOM 360 O GLN A 24 4.770 5.519 -2.619 1.00 0.00 O ATOM 361 CB GLN A 24 4.338 7.960 -0.507 1.00 0.00 C ATOM 362 CG GLN A 24 5.633 7.364 0.021 1.00 0.00 C ATOM 363 CD GLN A 24 6.811 8.307 -0.125 1.00 0.00 C ATOM 364 OE1 GLN A 24 6.671 9.522 0.010 1.00 0.00 O ATOM 365 NE2 GLN A 24 7.983 7.747 -0.404 1.00 0.00 N ATOM 366 HA GLN A 24 5.058 8.044 -2.528 1.00 0.00 H ATOM 367 HB2 GLN A 24 4.341 9.030 -0.301 1.00 0.00 H ATOM 368 HB3 GLN A 24 3.504 7.493 0.016 1.00 0.00 H ATOM 369 HG2 GLN A 24 5.504 7.127 1.077 1.00 0.00 H ATOM 370 HG3 GLN A 24 5.847 6.449 -0.531 1.00 0.00 H ATOM 371 HE22 GLN A 24 8.054 6.715 -0.509 1.00 0.00 H ATOM 372 HE21 GLN A 24 8.829 8.341 -0.517 1.00 0.00 H ATOM 373 H GLN A 24 2.475 9.119 -1.816 1.00 0.00 H ATOM 374 N MET A 25 2.595 5.914 -2.205 1.00 0.00 N ATOM 375 CA MET A 25 2.181 4.541 -2.464 1.00 0.00 C ATOM 376 C MET A 25 2.368 4.195 -3.936 1.00 0.00 C ATOM 377 O MET A 25 2.873 3.124 -4.275 1.00 0.00 O ATOM 378 CB MET A 25 0.721 4.337 -2.058 1.00 0.00 C ATOM 379 CG MET A 25 0.525 4.142 -0.564 1.00 0.00 C ATOM 380 SD MET A 25 1.430 2.722 0.080 1.00 0.00 S ATOM 381 CE MET A 25 1.005 1.470 -1.129 1.00 0.00 C ATOM 382 HA MET A 25 2.806 3.877 -1.867 1.00 0.00 H ATOM 383 HB2 MET A 25 0.151 5.213 -2.369 1.00 0.00 H ATOM 384 HB3 MET A 25 0.340 3.455 -2.573 1.00 0.00 H ATOM 385 HG2 MET A 25 -0.537 3.996 -0.368 1.00 0.00 H ATOM 386 HG3 MET A 25 0.869 5.038 -0.047 1.00 0.00 H ATOM 387 HE1 MET A 25 -0.076 1.329 -1.140 1.00 0.00 H ATOM 388 HE2 MET A 25 1.341 1.790 -2.115 1.00 0.00 H ATOM 389 HE3 MET A 25 1.492 0.531 -0.865 1.00 0.00 H ATOM 390 H MET A 25 1.878 6.617 -1.935 1.00 0.00 H ATOM 391 N GLN A 26 1.964 5.113 -4.809 1.00 0.00 N ATOM 392 CA GLN A 26 2.094 4.909 -6.246 1.00 0.00 C ATOM 393 C GLN A 26 3.551 4.661 -6.621 1.00 0.00 C ATOM 394 O GLN A 26 3.849 3.836 -7.482 1.00 0.00 O ATOM 395 CB GLN A 26 1.552 6.123 -7.005 1.00 0.00 C ATOM 396 CG GLN A 26 0.290 5.830 -7.800 1.00 0.00 C ATOM 397 CD GLN A 26 0.559 4.980 -9.027 1.00 0.00 C ATOM 398 OE1 GLN A 26 1.280 5.391 -9.936 1.00 0.00 O ATOM 399 NE2 GLN A 26 -0.020 3.785 -9.057 1.00 0.00 N ATOM 400 HA GLN A 26 1.510 4.031 -6.524 1.00 0.00 H ATOM 401 HB2 GLN A 26 1.330 6.910 -6.284 1.00 0.00 H ATOM 402 HB3 GLN A 26 2.321 6.470 -7.695 1.00 0.00 H ATOM 403 HG2 GLN A 26 -0.414 5.302 -7.157 1.00 0.00 H ATOM 404 HG3 GLN A 26 -0.150 6.775 -8.119 1.00 0.00 H ATOM 405 HE22 GLN A 26 -0.622 3.479 -8.266 1.00 0.00 H ATOM 406 HE21 GLN A 26 0.128 3.156 -9.871 1.00 0.00 H ATOM 407 H GLN A 26 1.545 5.998 -4.458 1.00 0.00 H ATOM 408 N THR A 27 4.455 5.381 -5.963 1.00 0.00 N ATOM 409 CA THR A 27 5.882 5.237 -6.222 1.00 0.00 C ATOM 410 C THR A 27 6.345 3.813 -5.929 1.00 0.00 C ATOM 411 O THR A 27 6.883 3.133 -6.802 1.00 0.00 O ATOM 412 CB THR A 27 6.679 6.231 -5.377 1.00 0.00 C ATOM 413 OG1 THR A 27 6.259 7.559 -5.634 1.00 0.00 O ATOM 414 CG2 THR A 27 8.171 6.167 -5.625 1.00 0.00 C ATOM 415 HA THR A 27 6.058 5.448 -7.277 1.00 0.00 H ATOM 416 HB THR A 27 6.486 5.948 -4.342 1.00 0.00 H ATOM 417 HG1 THR A 27 5.298 7.649 -5.412 1.00 0.00 H ATOM 418 HG23 THR A 27 8.526 5.154 -5.435 1.00 0.00 H ATOM 419 HG21 THR A 27 8.378 6.438 -6.660 1.00 0.00 H ATOM 420 HG22 THR A 27 8.679 6.863 -4.957 1.00 0.00 H ATOM 421 H THR A 27 4.136 6.063 -5.246 1.00 0.00 H ATOM 422 N TRP A 28 6.129 3.369 -4.694 1.00 0.00 N ATOM 423 CA TRP A 28 6.521 2.027 -4.283 1.00 0.00 C ATOM 424 C TRP A 28 5.778 0.968 -5.093 1.00 0.00 C ATOM 425 O TRP A 28 6.374 -0.003 -5.559 1.00 0.00 O ATOM 426 CB TRP A 28 6.241 1.832 -2.794 1.00 0.00 C ATOM 427 CG TRP A 28 7.210 2.551 -1.905 1.00 0.00 C ATOM 428 CD1 TRP A 28 8.571 2.572 -2.021 1.00 0.00 C ATOM 429 CD2 TRP A 28 6.891 3.353 -0.763 1.00 0.00 C ATOM 430 NE1 TRP A 28 9.117 3.340 -1.019 1.00 0.00 N ATOM 431 CE2 TRP A 28 8.105 3.829 -0.234 1.00 0.00 C ATOM 432 CE3 TRP A 28 5.695 3.715 -0.138 1.00 0.00 C ATOM 433 CZ2 TRP A 28 8.156 4.648 0.892 1.00 0.00 C ATOM 434 CZ3 TRP A 28 5.747 4.527 0.979 1.00 0.00 C ATOM 435 CH2 TRP A 28 6.970 4.987 1.483 1.00 0.00 C ATOM 436 HA TRP A 28 7.589 1.914 -4.467 1.00 0.00 H ATOM 437 HB2 TRP A 28 5.238 2.200 -2.580 1.00 0.00 H ATOM 438 HB3 TRP A 28 6.291 0.767 -2.570 1.00 0.00 H ATOM 439 HE1 TRP A 28 10.132 3.520 -0.880 1.00 0.00 H ATOM 440 HD1 TRP A 28 9.141 2.056 -2.794 1.00 0.00 H ATOM 441 HZ2 TRP A 28 9.107 5.006 1.288 1.00 0.00 H ATOM 442 HH2 TRP A 28 6.977 5.628 2.364 1.00 0.00 H ATOM 443 HZ3 TRP A 28 4.821 4.814 1.476 1.00 0.00 H ATOM 444 HE3 TRP A 28 4.738 3.363 -0.524 1.00 0.00 H ATOM 445 H TRP A 28 5.668 3.996 -4.004 1.00 0.00 H ATOM 446 N VAL A 29 4.474 1.163 -5.251 1.00 0.00 N ATOM 447 CA VAL A 29 3.644 0.227 -5.999 1.00 0.00 C ATOM 448 C VAL A 29 4.029 0.203 -7.476 1.00 0.00 C ATOM 449 O VAL A 29 3.965 -0.840 -8.126 1.00 0.00 O ATOM 450 CB VAL A 29 2.149 0.584 -5.867 1.00 0.00 C ATOM 451 CG1 VAL A 29 1.285 -0.405 -6.633 1.00 0.00 C ATOM 452 CG2 VAL A 29 1.741 0.631 -4.402 1.00 0.00 C ATOM 453 HA VAL A 29 3.814 -0.762 -5.574 1.00 0.00 H ATOM 454 HB VAL A 29 1.995 1.572 -6.301 1.00 0.00 H ATOM 455 HG11 VAL A 29 1.559 -0.384 -7.688 1.00 0.00 H ATOM 456 HG12 VAL A 29 1.443 -1.407 -6.235 1.00 0.00 H ATOM 457 HG13 VAL A 29 0.236 -0.130 -6.523 1.00 0.00 H ATOM 458 HG21 VAL A 29 1.915 -0.344 -3.946 1.00 0.00 H ATOM 459 HG22 VAL A 29 2.333 1.386 -3.885 1.00 0.00 H ATOM 460 HG23 VAL A 29 0.683 0.884 -4.329 1.00 0.00 H ATOM 461 H VAL A 29 4.033 2.006 -4.830 1.00 0.00 H ATOM 462 N SER A 30 4.423 1.359 -7.999 1.00 0.00 N ATOM 463 CA SER A 30 4.813 1.468 -9.402 1.00 0.00 C ATOM 464 C SER A 30 6.299 1.176 -9.588 1.00 0.00 C ATOM 465 O SER A 30 6.705 0.604 -10.600 1.00 0.00 O ATOM 466 CB SER A 30 4.488 2.865 -9.937 1.00 0.00 C ATOM 467 OG SER A 30 3.107 3.153 -9.805 1.00 0.00 O ATOM 468 HA SER A 30 4.245 0.726 -9.964 1.00 0.00 H ATOM 469 HB2 SER A 30 4.764 2.916 -10.990 1.00 0.00 H ATOM 470 HB3 SER A 30 5.061 3.603 -9.376 1.00 0.00 H ATOM 471 HG SER A 30 2.852 3.112 -8.849 1.00 0.00 H ATOM 472 H SER A 30 4.454 2.205 -7.396 1.00 0.00 H ATOM 473 N GLU A 31 7.108 1.575 -8.610 1.00 0.00 N ATOM 474 CA GLU A 31 8.551 1.356 -8.674 1.00 0.00 C ATOM 475 C GLU A 31 8.874 -0.122 -8.878 1.00 0.00 C ATOM 476 O GLU A 31 9.890 -0.467 -9.480 1.00 0.00 O ATOM 477 CB GLU A 31 9.224 1.863 -7.396 1.00 0.00 C ATOM 478 CG GLU A 31 9.559 3.345 -7.433 1.00 0.00 C ATOM 479 CD GLU A 31 10.833 3.637 -8.200 1.00 0.00 C ATOM 480 OE1 GLU A 31 10.883 3.327 -9.409 1.00 0.00 O ATOM 481 OE2 GLU A 31 11.782 4.176 -7.592 1.00 0.00 O ATOM 482 HA GLU A 31 8.936 1.914 -9.527 1.00 0.00 H ATOM 483 HB2 GLU A 31 8.552 1.682 -6.557 1.00 0.00 H ATOM 484 HB3 GLU A 31 10.148 1.304 -7.247 1.00 0.00 H ATOM 485 HG2 GLU A 31 8.735 3.877 -7.909 1.00 0.00 H ATOM 486 HG3 GLU A 31 9.678 3.702 -6.410 1.00 0.00 H ATOM 487 H GLU A 31 6.704 2.054 -7.780 1.00 0.00 H ATOM 488 N GLY A 32 8.005 -0.989 -8.369 1.00 0.00 N ATOM 489 CA GLY A 32 8.219 -2.418 -8.506 1.00 0.00 C ATOM 490 C GLY A 32 8.492 -3.102 -7.178 1.00 0.00 C ATOM 491 O GLY A 32 8.740 -4.307 -7.135 1.00 0.00 O ATOM 492 HA3 GLY A 32 9.072 -2.581 -9.164 1.00 0.00 H ATOM 493 HA2 GLY A 32 7.329 -2.863 -8.951 1.00 0.00 H ATOM 494 H GLY A 32 7.163 -0.640 -7.868 1.00 0.00 H ATOM 495 N TYR A 33 8.446 -2.334 -6.091 1.00 0.00 N ATOM 496 CA TYR A 33 8.690 -2.878 -4.759 1.00 0.00 C ATOM 497 C TYR A 33 7.757 -4.051 -4.473 1.00 0.00 C ATOM 498 O TYR A 33 8.135 -5.008 -3.797 1.00 0.00 O ATOM 499 CB TYR A 33 8.505 -1.788 -3.701 1.00 0.00 C ATOM 500 CG TYR A 33 9.786 -1.408 -2.994 1.00 0.00 C ATOM 501 CD1 TYR A 33 10.275 -2.172 -1.942 1.00 0.00 C ATOM 502 CD2 TYR A 33 10.506 -0.283 -3.377 1.00 0.00 C ATOM 503 CE1 TYR A 33 11.445 -1.828 -1.293 1.00 0.00 C ATOM 504 CE2 TYR A 33 11.677 0.068 -2.733 1.00 0.00 C ATOM 505 CZ TYR A 33 12.143 -0.707 -1.692 1.00 0.00 C ATOM 506 OH TYR A 33 13.308 -0.360 -1.048 1.00 0.00 O ATOM 507 HA TYR A 33 9.718 -3.239 -4.720 1.00 0.00 H ATOM 508 HB3 TYR A 33 7.794 -2.147 -2.957 1.00 0.00 H ATOM 509 HB2 TYR A 33 8.103 -0.899 -4.188 1.00 0.00 H ATOM 510 HD2 TYR A 33 10.141 0.333 -4.199 1.00 0.00 H ATOM 511 HE2 TYR A 33 12.230 0.954 -3.046 1.00 0.00 H ATOM 512 HE1 TYR A 33 11.815 -2.439 -0.470 1.00 0.00 H ATOM 513 HD1 TYR A 33 9.726 -3.058 -1.623 1.00 0.00 H ATOM 514 HH TYR A 33 13.496 -1.017 -0.332 1.00 0.00 H ATOM 515 H TYR A 33 8.231 -1.322 -6.194 1.00 0.00 H ATOM 516 N PHE A 34 6.538 -3.970 -4.994 1.00 0.00 N ATOM 517 CA PHE A 34 5.550 -5.025 -4.798 1.00 0.00 C ATOM 518 C PHE A 34 5.325 -5.798 -6.095 1.00 0.00 C ATOM 519 O PHE A 34 4.362 -5.544 -6.820 1.00 0.00 O ATOM 520 CB PHE A 34 4.224 -4.438 -4.302 1.00 0.00 C ATOM 521 CG PHE A 34 4.382 -3.281 -3.353 1.00 0.00 C ATOM 522 CD1 PHE A 34 5.472 -3.205 -2.498 1.00 0.00 C ATOM 523 CD2 PHE A 34 3.437 -2.267 -3.316 1.00 0.00 C ATOM 524 CE1 PHE A 34 5.616 -2.142 -1.628 1.00 0.00 C ATOM 525 CE2 PHE A 34 3.577 -1.201 -2.448 1.00 0.00 C ATOM 526 CZ PHE A 34 4.667 -1.138 -1.603 1.00 0.00 C ATOM 527 HA PHE A 34 5.933 -5.711 -4.043 1.00 0.00 H ATOM 528 HB2 PHE A 34 3.655 -4.097 -5.167 1.00 0.00 H ATOM 529 HB3 PHE A 34 3.670 -5.226 -3.792 1.00 0.00 H ATOM 530 HD2 PHE A 34 2.573 -2.311 -3.980 1.00 0.00 H ATOM 531 HE2 PHE A 34 2.827 -0.410 -2.430 1.00 0.00 H ATOM 532 HZ PHE A 34 4.779 -0.298 -0.918 1.00 0.00 H ATOM 533 HE1 PHE A 34 6.477 -2.095 -0.962 1.00 0.00 H ATOM 534 HD1 PHE A 34 6.224 -3.994 -2.513 1.00 0.00 H ATOM 535 H PHE A 34 6.281 -3.133 -5.556 1.00 0.00 H ATOM 536 N PRO A 35 6.217 -6.752 -6.408 1.00 0.00 N ATOM 537 CA PRO A 35 6.116 -7.562 -7.626 1.00 0.00 C ATOM 538 C PRO A 35 4.911 -8.498 -7.607 1.00 0.00 C ATOM 539 O PRO A 35 4.499 -9.014 -8.646 1.00 0.00 O ATOM 540 CB PRO A 35 7.418 -8.367 -7.634 1.00 0.00 C ATOM 541 CG PRO A 35 7.846 -8.414 -6.208 1.00 0.00 C ATOM 542 CD PRO A 35 7.396 -7.115 -5.599 1.00 0.00 C ATOM 543 HA PRO A 35 5.979 -6.942 -8.512 1.00 0.00 H ATOM 544 HD3 PRO A 35 7.126 -7.247 -4.551 1.00 0.00 H ATOM 545 HD2 PRO A 35 8.174 -6.356 -5.679 1.00 0.00 H ATOM 546 HG3 PRO A 35 8.930 -8.510 -6.140 1.00 0.00 H ATOM 547 HG2 PRO A 35 7.376 -9.255 -5.698 1.00 0.00 H ATOM 548 HB2 PRO A 35 7.245 -9.373 -8.017 1.00 0.00 H ATOM 549 HB3 PRO A 35 8.172 -7.872 -8.245 1.00 0.00 H ATOM 550 N ASP A 36 4.352 -8.720 -6.420 1.00 0.00 N ATOM 551 CA ASP A 36 3.200 -9.597 -6.272 1.00 0.00 C ATOM 552 C ASP A 36 1.969 -8.822 -5.800 1.00 0.00 C ATOM 553 O ASP A 36 0.863 -9.363 -5.768 1.00 0.00 O ATOM 554 CB ASP A 36 3.524 -10.717 -5.282 1.00 0.00 C ATOM 555 CG ASP A 36 2.349 -11.646 -5.045 1.00 0.00 C ATOM 556 OD1 ASP A 36 1.792 -12.163 -6.037 1.00 0.00 O ATOM 557 OD2 ASP A 36 1.985 -11.857 -3.870 1.00 0.00 O ATOM 558 HA ASP A 36 2.973 -10.028 -7.247 1.00 0.00 H ATOM 559 HB2 ASP A 36 4.357 -11.300 -5.675 1.00 0.00 H ATOM 560 HB3 ASP A 36 3.813 -10.270 -4.331 1.00 0.00 H ATOM 561 H ASP A 36 4.748 -8.256 -5.578 1.00 0.00 H ATOM 562 N GLY A 37 2.164 -7.558 -5.430 1.00 0.00 N ATOM 563 CA GLY A 37 1.059 -6.748 -4.960 1.00 0.00 C ATOM 564 C GLY A 37 0.885 -6.842 -3.460 1.00 0.00 C ATOM 565 O GLY A 37 1.346 -7.796 -2.834 1.00 0.00 O ATOM 566 HA3 GLY A 37 0.143 -7.088 -5.443 1.00 0.00 H ATOM 567 HA2 GLY A 37 1.245 -5.708 -5.228 1.00 0.00 H ATOM 568 H GLY A 37 3.119 -7.148 -5.479 1.00 0.00 H ATOM 569 N VAL A 38 0.221 -5.851 -2.880 1.00 0.00 N ATOM 570 CA VAL A 38 -0.006 -5.831 -1.443 1.00 0.00 C ATOM 571 C VAL A 38 -1.455 -5.504 -1.113 1.00 0.00 C ATOM 572 O VAL A 38 -2.186 -4.960 -1.940 1.00 0.00 O ATOM 573 CB VAL A 38 0.913 -4.813 -0.742 1.00 0.00 C ATOM 574 CG1 VAL A 38 2.346 -5.319 -0.721 1.00 0.00 C ATOM 575 CG2 VAL A 38 0.833 -3.457 -1.425 1.00 0.00 C ATOM 576 HA VAL A 38 0.226 -6.831 -1.077 1.00 0.00 H ATOM 577 HB VAL A 38 0.574 -4.695 0.287 1.00 0.00 H ATOM 578 HG11 VAL A 38 2.388 -6.266 -0.182 1.00 0.00 H ATOM 579 HG12 VAL A 38 2.693 -5.466 -1.744 1.00 0.00 H ATOM 580 HG13 VAL A 38 2.981 -4.587 -0.222 1.00 0.00 H ATOM 581 HG21 VAL A 38 1.145 -3.556 -2.465 1.00 0.00 H ATOM 582 HG22 VAL A 38 -0.193 -3.092 -1.385 1.00 0.00 H ATOM 583 HG23 VAL A 38 1.490 -2.754 -0.913 1.00 0.00 H ATOM 584 H VAL A 38 -0.145 -5.072 -3.464 1.00 0.00 H ATOM 585 N TYR A 39 -1.861 -5.838 0.106 1.00 0.00 N ATOM 586 CA TYR A 39 -3.219 -5.581 0.557 1.00 0.00 C ATOM 587 C TYR A 39 -3.442 -4.085 0.747 1.00 0.00 C ATOM 588 O TYR A 39 -3.294 -3.561 1.850 1.00 0.00 O ATOM 589 CB TYR A 39 -3.480 -6.329 1.865 1.00 0.00 C ATOM 590 CG TYR A 39 -4.547 -7.393 1.752 1.00 0.00 C ATOM 591 CD1 TYR A 39 -4.565 -8.273 0.679 1.00 0.00 C ATOM 592 CD2 TYR A 39 -5.535 -7.516 2.720 1.00 0.00 C ATOM 593 CE1 TYR A 39 -5.540 -9.248 0.572 1.00 0.00 C ATOM 594 CE2 TYR A 39 -6.512 -8.488 2.622 1.00 0.00 C ATOM 595 CZ TYR A 39 -6.510 -9.351 1.546 1.00 0.00 C ATOM 596 OH TYR A 39 -7.483 -10.319 1.444 1.00 0.00 O ATOM 597 HA TYR A 39 -3.917 -5.938 -0.200 1.00 0.00 H ATOM 598 HB3 TYR A 39 -3.792 -5.606 2.619 1.00 0.00 H ATOM 599 HB2 TYR A 39 -2.552 -6.804 2.182 1.00 0.00 H ATOM 600 HD2 TYR A 39 -5.540 -6.835 3.571 1.00 0.00 H ATOM 601 HE2 TYR A 39 -7.280 -8.572 3.391 1.00 0.00 H ATOM 602 HE1 TYR A 39 -5.541 -9.931 -0.278 1.00 0.00 H ATOM 603 HD1 TYR A 39 -3.798 -8.194 -0.092 1.00 0.00 H ATOM 604 HH TYR A 39 -7.336 -10.847 0.620 1.00 0.00 H ATOM 605 H TYR A 39 -1.190 -6.296 0.755 1.00 0.00 H ATOM 606 N CYS A 40 -3.788 -3.402 -0.339 1.00 0.00 N ATOM 607 CA CYS A 40 -4.014 -1.963 -0.296 1.00 0.00 C ATOM 608 C CYS A 40 -5.425 -1.634 0.175 1.00 0.00 C ATOM 609 O CYS A 40 -6.381 -2.341 -0.143 1.00 0.00 O ATOM 610 CB CYS A 40 -3.769 -1.346 -1.672 1.00 0.00 C ATOM 611 SG CYS A 40 -2.069 -0.793 -1.941 1.00 0.00 S ATOM 612 HA CYS A 40 -3.310 -1.539 0.420 1.00 0.00 H ATOM 613 HB2 CYS A 40 -4.431 -0.487 -1.785 1.00 0.00 H ATOM 614 HB3 CYS A 40 -4.011 -2.091 -2.430 1.00 0.00 H ATOM 615 HG CYS A 40 -1.957 -0.255 -3.207 1.00 0.00 H ATOM 616 H CYS A 40 -3.900 -3.907 -1.241 1.00 0.00 H ATOM 617 N ARG A 41 -5.543 -0.551 0.934 1.00 0.00 N ATOM 618 CA ARG A 41 -6.826 -0.112 1.454 1.00 0.00 C ATOM 619 C ARG A 41 -6.697 1.272 2.084 1.00 0.00 C ATOM 620 O ARG A 41 -5.734 1.550 2.800 1.00 0.00 O ATOM 621 CB ARG A 41 -7.351 -1.124 2.478 1.00 0.00 C ATOM 622 CG ARG A 41 -8.300 -0.531 3.508 1.00 0.00 C ATOM 623 CD ARG A 41 -9.400 -1.508 3.891 1.00 0.00 C ATOM 624 NE ARG A 41 -10.726 -0.993 3.562 1.00 0.00 N ATOM 625 CZ ARG A 41 -11.257 0.095 4.115 1.00 0.00 C ATOM 626 NH1 ARG A 41 -10.581 0.781 5.029 1.00 0.00 N ATOM 627 NH2 ARG A 41 -12.467 0.500 3.755 1.00 0.00 N ATOM 628 HA ARG A 41 -7.538 -0.049 0.631 1.00 0.00 H ATOM 629 HB2 ARG A 41 -7.878 -1.913 1.941 1.00 0.00 H ATOM 630 HB3 ARG A 41 -6.498 -1.552 3.005 1.00 0.00 H ATOM 631 HG2 ARG A 41 -7.733 -0.270 4.401 1.00 0.00 H ATOM 632 HG3 ARG A 41 -8.755 0.368 3.092 1.00 0.00 H ATOM 633 HD2 ARG A 41 -9.350 -1.692 4.964 1.00 0.00 H ATOM 634 HD3 ARG A 41 -9.242 -2.444 3.355 1.00 0.00 H ATOM 635 HE ARG A 41 -11.289 -1.506 2.854 1.00 0.00 H ATOM 636 HH12 ARG A 41 -11.001 1.630 5.458 1.00 0.00 H ATOM 637 HH11 ARG A 41 -9.631 0.469 5.316 1.00 0.00 H ATOM 638 HH22 ARG A 41 -12.881 1.350 4.188 1.00 0.00 H ATOM 639 HH21 ARG A 41 -13.002 -0.033 3.040 1.00 0.00 H ATOM 640 H ARG A 41 -4.691 -0.000 1.163 1.00 0.00 H ATOM 641 N LYS A 42 -7.671 2.133 1.818 1.00 0.00 N ATOM 642 CA LYS A 42 -7.666 3.481 2.361 1.00 0.00 C ATOM 643 C LYS A 42 -7.658 3.445 3.885 1.00 0.00 C ATOM 644 O LYS A 42 -8.425 2.711 4.506 1.00 0.00 O ATOM 645 CB LYS A 42 -8.885 4.250 1.856 1.00 0.00 C ATOM 646 CG LYS A 42 -8.637 4.989 0.550 1.00 0.00 C ATOM 647 CD LYS A 42 -9.810 5.885 0.186 1.00 0.00 C ATOM 648 CE LYS A 42 -10.718 5.225 -0.838 1.00 0.00 C ATOM 649 NZ LYS A 42 -12.134 5.656 -0.685 1.00 0.00 N ATOM 650 HA LYS A 42 -6.762 3.989 2.026 1.00 0.00 H ATOM 651 HB2 LYS A 42 -9.701 3.543 1.703 1.00 0.00 H ATOM 652 HB3 LYS A 42 -9.173 4.977 2.615 1.00 0.00 H ATOM 653 HG2 LYS A 42 -7.742 5.602 0.654 1.00 0.00 H ATOM 654 HG3 LYS A 42 -8.487 4.260 -0.247 1.00 0.00 H ATOM 655 HD2 LYS A 42 -10.387 6.097 1.086 1.00 0.00 H ATOM 656 HD3 LYS A 42 -9.428 6.818 -0.228 1.00 0.00 H ATOM 657 HE2 LYS A 42 -10.663 4.144 -0.713 1.00 0.00 H ATOM 658 HE3 LYS A 42 -10.374 5.492 -1.838 1.00 0.00 H ATOM 659 HZ1 LYS A 42 -12.473 5.399 0.264 1.00 0.00 H ATOM 660 HZ2 LYS A 42 -12.197 6.687 -0.810 1.00 0.00 H ATOM 661 HZ3 LYS A 42 -12.719 5.182 -1.403 1.00 0.00 H ATOM 662 H LYS A 42 -8.457 1.836 1.206 1.00 0.00 H ATOM 663 N LEU A 43 -6.774 4.237 4.476 1.00 0.00 N ATOM 664 CA LEU A 43 -6.642 4.302 5.928 1.00 0.00 C ATOM 665 C LEU A 43 -7.995 4.523 6.601 1.00 0.00 C ATOM 666 O LEU A 43 -8.388 3.764 7.487 1.00 0.00 O ATOM 667 CB LEU A 43 -5.672 5.420 6.316 1.00 0.00 C ATOM 668 CG LEU A 43 -4.399 5.492 5.469 1.00 0.00 C ATOM 669 CD1 LEU A 43 -3.481 6.586 5.982 1.00 0.00 C ATOM 670 CD2 LEU A 43 -3.680 4.152 5.468 1.00 0.00 C ATOM 671 HA LEU A 43 -6.248 3.346 6.274 1.00 0.00 H ATOM 672 HB2 LEU A 43 -6.196 6.371 6.222 1.00 0.00 H ATOM 673 HB3 LEU A 43 -5.379 5.269 7.355 1.00 0.00 H ATOM 674 HG LEU A 43 -4.682 5.731 4.444 1.00 0.00 H ATOM 675 HD21 LEU A 43 -3.410 3.885 6.490 1.00 0.00 H ATOM 676 HD22 LEU A 43 -4.338 3.388 5.053 1.00 0.00 H ATOM 677 HD23 LEU A 43 -2.778 4.225 4.860 1.00 0.00 H ATOM 678 HD11 LEU A 43 -3.996 7.545 5.930 1.00 0.00 H ATOM 679 HD12 LEU A 43 -3.208 6.374 7.016 1.00 0.00 H ATOM 680 HD13 LEU A 43 -2.582 6.622 5.367 1.00 0.00 H ATOM 681 H LEU A 43 -6.156 4.830 3.887 1.00 0.00 H ATOM 682 N ASP A 44 -8.702 5.565 6.178 1.00 0.00 N ATOM 683 CA ASP A 44 -10.008 5.879 6.747 1.00 0.00 C ATOM 684 C ASP A 44 -11.134 5.404 5.825 1.00 0.00 C ATOM 685 O ASP A 44 -11.160 5.751 4.644 1.00 0.00 O ATOM 686 CB ASP A 44 -10.133 7.386 6.985 1.00 0.00 C ATOM 687 CG ASP A 44 -11.200 7.723 8.008 1.00 0.00 C ATOM 688 OD1 ASP A 44 -10.985 7.444 9.205 1.00 0.00 O ATOM 689 OD2 ASP A 44 -12.253 8.265 7.610 1.00 0.00 O ATOM 690 HA ASP A 44 -10.097 5.357 7.700 1.00 0.00 H ATOM 691 HB2 ASP A 44 -9.175 7.765 7.340 1.00 0.00 H ATOM 692 HB3 ASP A 44 -10.387 7.870 6.042 1.00 0.00 H ATOM 693 H ASP A 44 -8.316 6.170 5.425 1.00 0.00 H ATOM 694 N PRO A 45 -12.083 4.601 6.348 1.00 0.00 N ATOM 695 CA PRO A 45 -12.094 4.161 7.747 1.00 0.00 C ATOM 696 C PRO A 45 -11.105 3.028 8.009 1.00 0.00 C ATOM 697 O PRO A 45 -10.661 2.353 7.081 1.00 0.00 O ATOM 698 CB PRO A 45 -13.527 3.675 7.942 1.00 0.00 C ATOM 699 CG PRO A 45 -13.939 3.185 6.597 1.00 0.00 C ATOM 700 CD PRO A 45 -13.231 4.059 5.595 1.00 0.00 C ATOM 701 HA PRO A 45 -11.797 4.956 8.431 1.00 0.00 H ATOM 702 HD3 PRO A 45 -12.893 3.474 4.740 1.00 0.00 H ATOM 703 HD2 PRO A 45 -13.883 4.861 5.250 1.00 0.00 H ATOM 704 HG3 PRO A 45 -15.019 3.272 6.478 1.00 0.00 H ATOM 705 HG2 PRO A 45 -13.643 2.144 6.467 1.00 0.00 H ATOM 706 HB2 PRO A 45 -13.565 2.869 8.675 1.00 0.00 H ATOM 707 HB3 PRO A 45 -14.170 4.492 8.269 1.00 0.00 H ATOM 708 N PRO A 46 -10.747 2.803 9.285 1.00 0.00 N ATOM 709 CA PRO A 46 -9.807 1.748 9.668 1.00 0.00 C ATOM 710 C PRO A 46 -10.463 0.371 9.716 1.00 0.00 C ATOM 711 O PRO A 46 -11.377 0.137 10.507 1.00 0.00 O ATOM 712 CB PRO A 46 -9.366 2.179 11.065 1.00 0.00 C ATOM 713 CG PRO A 46 -10.548 2.896 11.623 1.00 0.00 C ATOM 714 CD PRO A 46 -11.228 3.563 10.455 1.00 0.00 C ATOM 715 HA PRO A 46 -8.990 1.643 8.954 1.00 0.00 H ATOM 716 HD3 PRO A 46 -12.312 3.493 10.545 1.00 0.00 H ATOM 717 HD2 PRO A 46 -10.938 4.611 10.383 1.00 0.00 H ATOM 718 HG3 PRO A 46 -10.228 3.642 12.351 1.00 0.00 H ATOM 719 HG2 PRO A 46 -11.226 2.190 12.102 1.00 0.00 H ATOM 720 HB2 PRO A 46 -9.117 1.311 11.676 1.00 0.00 H ATOM 721 HB3 PRO A 46 -8.503 2.842 11.010 1.00 0.00 H ATOM 722 N GLY A 47 -9.989 -0.537 8.870 1.00 0.00 N ATOM 723 CA GLY A 47 -10.540 -1.879 8.836 1.00 0.00 C ATOM 724 C GLY A 47 -11.680 -2.017 7.847 1.00 0.00 C ATOM 725 O GLY A 47 -12.815 -1.645 8.142 1.00 0.00 O ATOM 726 HA3 GLY A 47 -10.908 -2.131 9.831 1.00 0.00 H ATOM 727 HA2 GLY A 47 -9.749 -2.574 8.556 1.00 0.00 H ATOM 728 H GLY A 47 -9.214 -0.283 8.225 1.00 0.00 H ATOM 729 N GLY A 48 -11.376 -2.552 6.669 1.00 0.00 N ATOM 730 CA GLY A 48 -12.395 -2.731 5.652 1.00 0.00 C ATOM 731 C GLY A 48 -12.046 -3.819 4.659 1.00 0.00 C ATOM 732 O GLY A 48 -11.035 -4.506 4.810 1.00 0.00 O ATOM 733 HA3 GLY A 48 -12.518 -1.792 5.112 1.00 0.00 H ATOM 734 HA2 GLY A 48 -13.333 -2.993 6.141 1.00 0.00 H ATOM 735 H GLY A 48 -10.397 -2.845 6.474 1.00 0.00 H ATOM 736 N GLN A 49 -12.884 -3.976 3.640 1.00 0.00 N ATOM 737 CA GLN A 49 -12.660 -4.988 2.616 1.00 0.00 C ATOM 738 C GLN A 49 -11.418 -4.656 1.796 1.00 0.00 C ATOM 739 O GLN A 49 -11.515 -4.194 0.660 1.00 0.00 O ATOM 740 CB GLN A 49 -13.877 -5.099 1.698 1.00 0.00 C ATOM 741 CG GLN A 49 -15.199 -5.151 2.445 1.00 0.00 C ATOM 742 CD GLN A 49 -16.219 -6.045 1.766 1.00 0.00 C ATOM 743 OE1 GLN A 49 -16.779 -5.691 0.729 1.00 0.00 O ATOM 744 NE2 GLN A 49 -16.465 -7.212 2.350 1.00 0.00 N ATOM 745 HA GLN A 49 -12.505 -5.946 3.113 1.00 0.00 H ATOM 746 HB2 GLN A 49 -13.889 -4.234 1.035 1.00 0.00 H ATOM 747 HB3 GLN A 49 -13.780 -6.008 1.105 1.00 0.00 H ATOM 748 HG2 GLN A 49 -15.017 -5.530 3.451 1.00 0.00 H ATOM 749 HG3 GLN A 49 -15.605 -4.141 2.506 1.00 0.00 H ATOM 750 HE22 GLN A 49 -15.968 -7.470 3.226 1.00 0.00 H ATOM 751 HE21 GLN A 49 -17.155 -7.868 1.931 1.00 0.00 H ATOM 752 H GLN A 49 -13.720 -3.362 3.572 1.00 0.00 H ATOM 753 N PHE A 50 -10.252 -4.890 2.389 1.00 0.00 N ATOM 754 CA PHE A 50 -8.972 -4.616 1.732 1.00 0.00 C ATOM 755 C PHE A 50 -8.986 -5.050 0.267 1.00 0.00 C ATOM 756 O PHE A 50 -9.850 -5.817 -0.158 1.00 0.00 O ATOM 757 CB PHE A 50 -7.838 -5.327 2.473 1.00 0.00 C ATOM 758 CG PHE A 50 -7.128 -4.452 3.466 1.00 0.00 C ATOM 759 CD1 PHE A 50 -7.773 -4.017 4.614 1.00 0.00 C ATOM 760 CD2 PHE A 50 -5.815 -4.065 3.253 1.00 0.00 C ATOM 761 CE1 PHE A 50 -7.121 -3.213 5.529 1.00 0.00 C ATOM 762 CE2 PHE A 50 -5.157 -3.261 4.165 1.00 0.00 C ATOM 763 CZ PHE A 50 -5.811 -2.835 5.304 1.00 0.00 C ATOM 764 HA PHE A 50 -8.809 -3.539 1.762 1.00 0.00 H ATOM 765 HB2 PHE A 50 -8.256 -6.183 3.004 1.00 0.00 H ATOM 766 HB3 PHE A 50 -7.112 -5.676 1.739 1.00 0.00 H ATOM 767 HD2 PHE A 50 -5.294 -4.399 2.355 1.00 0.00 H ATOM 768 HE2 PHE A 50 -4.124 -2.964 3.985 1.00 0.00 H ATOM 769 HZ PHE A 50 -5.295 -2.201 6.025 1.00 0.00 H ATOM 770 HE1 PHE A 50 -7.639 -2.877 6.427 1.00 0.00 H ATOM 771 HD1 PHE A 50 -8.806 -4.313 4.797 1.00 0.00 H ATOM 772 H PHE A 50 -10.248 -5.281 3.353 1.00 0.00 H ATOM 773 N TYR A 51 -8.018 -4.554 -0.500 1.00 0.00 N ATOM 774 CA TYR A 51 -7.912 -4.888 -1.915 1.00 0.00 C ATOM 775 C TYR A 51 -6.458 -4.837 -2.367 1.00 0.00 C ATOM 776 O TYR A 51 -5.716 -3.925 -2.001 1.00 0.00 O ATOM 777 CB TYR A 51 -8.751 -3.931 -2.773 1.00 0.00 C ATOM 778 CG TYR A 51 -9.825 -3.181 -2.013 1.00 0.00 C ATOM 779 CD1 TYR A 51 -9.492 -2.211 -1.076 1.00 0.00 C ATOM 780 CD2 TYR A 51 -11.171 -3.441 -2.238 1.00 0.00 C ATOM 781 CE1 TYR A 51 -10.470 -1.521 -0.384 1.00 0.00 C ATOM 782 CE2 TYR A 51 -12.155 -2.754 -1.553 1.00 0.00 C ATOM 783 CZ TYR A 51 -11.799 -1.797 -0.627 1.00 0.00 C ATOM 784 OH TYR A 51 -12.775 -1.111 0.060 1.00 0.00 O ATOM 785 HA TYR A 51 -8.295 -5.900 -2.046 1.00 0.00 H ATOM 786 HB3 TYR A 51 -9.233 -4.512 -3.559 1.00 0.00 H ATOM 787 HB2 TYR A 51 -8.079 -3.200 -3.223 1.00 0.00 H ATOM 788 HD2 TYR A 51 -11.456 -4.200 -2.967 1.00 0.00 H ATOM 789 HE2 TYR A 51 -13.207 -2.968 -1.744 1.00 0.00 H ATOM 790 HE1 TYR A 51 -10.192 -0.764 0.349 1.00 0.00 H ATOM 791 HD1 TYR A 51 -8.442 -1.990 -0.883 1.00 0.00 H ATOM 792 HH TYR A 51 -12.350 -0.467 0.680 1.00 0.00 H ATOM 793 H TYR A 51 -7.318 -3.911 -0.078 1.00 0.00 H ATOM 794 N ASN A 52 -6.056 -5.818 -3.165 1.00 0.00 N ATOM 795 CA ASN A 52 -4.690 -5.883 -3.671 1.00 0.00 C ATOM 796 C ASN A 52 -4.333 -4.610 -4.432 1.00 0.00 C ATOM 797 O ASN A 52 -5.131 -4.103 -5.220 1.00 0.00 O ATOM 798 CB ASN A 52 -4.515 -7.101 -4.579 1.00 0.00 C ATOM 799 CG ASN A 52 -3.058 -7.402 -4.867 1.00 0.00 C ATOM 800 OD1 ASN A 52 -2.161 -6.847 -4.233 1.00 0.00 O ATOM 801 ND2 ASN A 52 -2.814 -8.284 -5.829 1.00 0.00 N ATOM 802 HA ASN A 52 -4.017 -5.977 -2.819 1.00 0.00 H ATOM 803 HB2 ASN A 52 -4.962 -7.968 -4.093 1.00 0.00 H ATOM 804 HB3 ASN A 52 -5.027 -6.911 -5.523 1.00 0.00 H ATOM 805 HD22 ASN A 52 -3.604 -8.729 -6.339 1.00 0.00 H ATOM 806 HD21 ASN A 52 -1.833 -8.530 -6.072 1.00 0.00 H ATOM 807 H ASN A 52 -6.733 -6.560 -3.437 1.00 0.00 H ATOM 808 N SER A 53 -3.129 -4.099 -4.193 1.00 0.00 N ATOM 809 CA SER A 53 -2.667 -2.884 -4.857 1.00 0.00 C ATOM 810 C SER A 53 -2.762 -3.021 -6.373 1.00 0.00 C ATOM 811 O SER A 53 -2.980 -2.038 -7.082 1.00 0.00 O ATOM 812 CB SER A 53 -1.225 -2.573 -4.450 1.00 0.00 C ATOM 813 OG SER A 53 -0.303 -3.330 -5.214 1.00 0.00 O ATOM 814 HA SER A 53 -3.311 -2.062 -4.545 1.00 0.00 H ATOM 815 HB2 SER A 53 -1.094 -2.812 -3.395 1.00 0.00 H ATOM 816 HB3 SER A 53 -1.032 -1.512 -4.608 1.00 0.00 H ATOM 817 HG SER A 53 0.619 -3.109 -4.930 1.00 0.00 H ATOM 818 H SER A 53 -2.501 -4.577 -3.516 1.00 0.00 H ATOM 819 N LYS A 54 -2.603 -4.245 -6.863 1.00 0.00 N ATOM 820 CA LYS A 54 -2.675 -4.511 -8.295 1.00 0.00 C ATOM 821 C LYS A 54 -4.120 -4.458 -8.792 1.00 0.00 C ATOM 822 O LYS A 54 -4.371 -4.505 -9.996 1.00 0.00 O ATOM 823 CB LYS A 54 -2.062 -5.877 -8.612 1.00 0.00 C ATOM 824 CG LYS A 54 -1.154 -5.867 -9.833 1.00 0.00 C ATOM 825 CD LYS A 54 0.144 -6.619 -9.575 1.00 0.00 C ATOM 826 CE LYS A 54 1.346 -5.686 -9.598 1.00 0.00 C ATOM 827 NZ LYS A 54 2.330 -6.021 -8.533 1.00 0.00 N ATOM 828 HA LYS A 54 -2.107 -3.737 -8.811 1.00 0.00 H ATOM 829 HB2 LYS A 54 -1.478 -6.202 -7.751 1.00 0.00 H ATOM 830 HB3 LYS A 54 -2.871 -6.586 -8.789 1.00 0.00 H ATOM 831 HG2 LYS A 54 -1.676 -6.338 -10.666 1.00 0.00 H ATOM 832 HG3 LYS A 54 -0.919 -4.834 -10.091 1.00 0.00 H ATOM 833 HD2 LYS A 54 0.087 -7.099 -8.598 1.00 0.00 H ATOM 834 HD3 LYS A 54 0.272 -7.380 -10.345 1.00 0.00 H ATOM 835 HE2 LYS A 54 1.001 -4.663 -9.450 1.00 0.00 H ATOM 836 HE3 LYS A 54 1.836 -5.766 -10.568 1.00 0.00 H ATOM 837 HZ1 LYS A 54 1.873 -5.941 -7.602 1.00 0.00 H ATOM 838 HZ2 LYS A 54 2.670 -6.994 -8.671 1.00 0.00 H ATOM 839 HZ3 LYS A 54 3.133 -5.362 -8.584 1.00 0.00 H ATOM 840 H LYS A 54 -2.423 -5.033 -6.209 1.00 0.00 H ATOM 841 N ARG A 55 -5.068 -4.360 -7.861 1.00 0.00 N ATOM 842 CA ARG A 55 -6.483 -4.302 -8.215 1.00 0.00 C ATOM 843 C ARG A 55 -7.056 -2.901 -7.997 1.00 0.00 C ATOM 844 O ARG A 55 -8.248 -2.674 -8.196 1.00 0.00 O ATOM 845 CB ARG A 55 -7.275 -5.324 -7.396 1.00 0.00 C ATOM 846 CG ARG A 55 -7.571 -6.610 -8.149 1.00 0.00 C ATOM 847 CD ARG A 55 -8.658 -7.420 -7.460 1.00 0.00 C ATOM 848 NE ARG A 55 -9.528 -8.096 -8.419 1.00 0.00 N ATOM 849 CZ ARG A 55 -10.405 -7.465 -9.199 1.00 0.00 C ATOM 850 NH1 ARG A 55 -10.529 -6.145 -9.135 1.00 0.00 N ATOM 851 NH2 ARG A 55 -11.157 -8.155 -10.044 1.00 0.00 N ATOM 852 HA ARG A 55 -6.572 -4.542 -9.274 1.00 0.00 H ATOM 853 HB2 ARG A 55 -6.700 -5.571 -6.504 1.00 0.00 H ATOM 854 HB3 ARG A 55 -8.222 -4.871 -7.102 1.00 0.00 H ATOM 855 HG2 ARG A 55 -7.899 -6.362 -9.159 1.00 0.00 H ATOM 856 HG3 ARG A 55 -6.661 -7.208 -8.200 1.00 0.00 H ATOM 857 HD2 ARG A 55 -9.262 -6.750 -6.848 1.00 0.00 H ATOM 858 HD3 ARG A 55 -8.188 -8.169 -6.822 1.00 0.00 H ATOM 859 HE ARG A 55 -9.459 -9.131 -8.498 1.00 0.00 H ATOM 860 HH12 ARG A 55 -11.215 -5.657 -9.746 1.00 0.00 H ATOM 861 HH11 ARG A 55 -9.940 -5.599 -8.474 1.00 0.00 H ATOM 862 HH22 ARG A 55 -11.841 -7.662 -10.653 1.00 0.00 H ATOM 863 HH21 ARG A 55 -11.063 -9.189 -10.099 1.00 0.00 H ATOM 864 H ARG A 55 -4.793 -4.324 -6.859 1.00 0.00 H ATOM 865 N ILE A 56 -6.203 -1.964 -7.589 1.00 0.00 N ATOM 866 CA ILE A 56 -6.634 -0.593 -7.349 1.00 0.00 C ATOM 867 C ILE A 56 -6.089 0.346 -8.420 1.00 0.00 C ATOM 868 O ILE A 56 -5.045 0.084 -9.018 1.00 0.00 O ATOM 869 CB ILE A 56 -6.181 -0.105 -5.960 1.00 0.00 C ATOM 870 CG1 ILE A 56 -6.779 -0.996 -4.870 1.00 0.00 C ATOM 871 CG2 ILE A 56 -6.580 1.351 -5.744 1.00 0.00 C ATOM 872 CD1 ILE A 56 -6.490 -0.515 -3.466 1.00 0.00 C ATOM 873 HA ILE A 56 -7.723 -0.583 -7.389 1.00 0.00 H ATOM 874 HB ILE A 56 -5.094 -0.169 -5.905 1.00 0.00 H ATOM 875 HG12 ILE A 56 -7.860 -1.030 -5.007 1.00 0.00 H ATOM 876 HG13 ILE A 56 -6.369 -2.000 -4.982 1.00 0.00 H ATOM 877 HD11 ILE A 56 -5.412 -0.486 -3.308 1.00 0.00 H ATOM 878 HD12 ILE A 56 -6.905 0.484 -3.333 1.00 0.00 H ATOM 879 HD13 ILE A 56 -6.946 -1.197 -2.749 1.00 0.00 H ATOM 880 HG21 ILE A 56 -6.110 1.972 -6.507 1.00 0.00 H ATOM 881 HG22 ILE A 56 -7.664 1.444 -5.815 1.00 0.00 H ATOM 882 HG23 ILE A 56 -6.250 1.674 -4.757 1.00 0.00 H ATOM 883 H ILE A 56 -5.205 -2.216 -7.438 1.00 0.00 H ATOM 884 N ASP A 57 -6.803 1.442 -8.657 1.00 0.00 N ATOM 885 CA ASP A 57 -6.393 2.421 -9.656 1.00 0.00 C ATOM 886 C ASP A 57 -6.130 3.780 -9.013 1.00 0.00 C ATOM 887 O ASP A 57 -7.018 4.630 -8.950 1.00 0.00 O ATOM 888 CB ASP A 57 -7.470 2.556 -10.733 1.00 0.00 C ATOM 889 CG ASP A 57 -6.930 3.141 -12.023 1.00 0.00 C ATOM 890 OD1 ASP A 57 -5.879 3.815 -11.975 1.00 0.00 O ATOM 891 OD2 ASP A 57 -7.557 2.925 -13.081 1.00 0.00 O ATOM 892 HA ASP A 57 -5.468 2.072 -10.114 1.00 0.00 H ATOM 893 HB2 ASP A 57 -7.882 1.569 -10.942 1.00 0.00 H ATOM 894 HB3 ASP A 57 -8.261 3.206 -10.358 1.00 0.00 H ATOM 895 H ASP A 57 -7.676 1.605 -8.116 1.00 0.00 H ATOM 896 N PHE A 58 -4.905 3.979 -8.538 1.00 0.00 N ATOM 897 CA PHE A 58 -4.527 5.236 -7.902 1.00 0.00 C ATOM 898 C PHE A 58 -4.681 6.407 -8.867 1.00 0.00 C ATOM 899 O PHE A 58 -4.841 7.554 -8.447 1.00 0.00 O ATOM 900 CB PHE A 58 -3.083 5.166 -7.398 1.00 0.00 C ATOM 901 CG PHE A 58 -2.835 4.047 -6.425 1.00 0.00 C ATOM 902 CD1 PHE A 58 -2.503 2.780 -6.877 1.00 0.00 C ATOM 903 CD2 PHE A 58 -2.928 4.266 -5.060 1.00 0.00 C ATOM 904 CE1 PHE A 58 -2.269 1.751 -5.985 1.00 0.00 C ATOM 905 CE2 PHE A 58 -2.694 3.241 -4.162 1.00 0.00 C ATOM 906 CZ PHE A 58 -2.364 1.981 -4.626 1.00 0.00 C ATOM 907 HA PHE A 58 -5.195 5.396 -7.055 1.00 0.00 H ATOM 908 HB2 PHE A 58 -2.425 5.028 -8.256 1.00 0.00 H ATOM 909 HB3 PHE A 58 -2.844 6.109 -6.906 1.00 0.00 H ATOM 910 HD2 PHE A 58 -3.189 5.258 -4.690 1.00 0.00 H ATOM 911 HE2 PHE A 58 -2.770 3.426 -3.090 1.00 0.00 H ATOM 912 HZ PHE A 58 -2.179 1.171 -3.921 1.00 0.00 H ATOM 913 HE1 PHE A 58 -2.010 0.758 -6.353 1.00 0.00 H ATOM 914 HD1 PHE A 58 -2.426 2.593 -7.948 1.00 0.00 H ATOM 915 H PHE A 58 -4.199 3.220 -8.622 1.00 0.00 H ATOM 916 N ASP A 59 -4.627 6.112 -10.160 1.00 0.00 N ATOM 917 CA ASP A 59 -4.757 7.140 -11.189 1.00 0.00 C ATOM 918 C ASP A 59 -6.126 7.815 -11.128 1.00 0.00 C ATOM 919 O ASP A 59 -6.296 8.934 -11.613 1.00 0.00 O ATOM 920 CB ASP A 59 -4.539 6.532 -12.575 1.00 0.00 C ATOM 921 CG ASP A 59 -4.236 7.582 -13.626 1.00 0.00 C ATOM 922 OD1 ASP A 59 -3.550 8.572 -13.296 1.00 0.00 O ATOM 923 OD2 ASP A 59 -4.684 7.413 -14.779 1.00 0.00 O ATOM 924 HA ASP A 59 -3.995 7.897 -11.003 1.00 0.00 H ATOM 925 HB2 ASP A 59 -3.702 5.835 -12.524 1.00 0.00 H ATOM 926 HB3 ASP A 59 -5.441 5.994 -12.867 1.00 0.00 H ATOM 927 H ASP A 59 -4.488 5.122 -10.448 1.00 0.00 H ATOM 928 N LEU A 60 -7.099 7.131 -10.533 1.00 0.00 N ATOM 929 CA LEU A 60 -8.446 7.667 -10.416 1.00 0.00 C ATOM 930 C LEU A 60 -8.662 8.312 -9.052 1.00 0.00 C ATOM 931 O LEU A 60 -9.780 8.340 -8.537 1.00 0.00 O ATOM 932 CB LEU A 60 -9.481 6.564 -10.641 1.00 0.00 C ATOM 933 CG LEU A 60 -9.237 5.689 -11.872 1.00 0.00 C ATOM 934 CD1 LEU A 60 -10.259 4.565 -11.939 1.00 0.00 C ATOM 935 CD2 LEU A 60 -9.284 6.531 -13.139 1.00 0.00 C ATOM 936 HA LEU A 60 -8.570 8.432 -11.182 1.00 0.00 H ATOM 937 HB2 LEU A 60 -9.484 5.919 -9.763 1.00 0.00 H ATOM 938 HB3 LEU A 60 -10.459 7.034 -10.748 1.00 0.00 H ATOM 939 HG LEU A 60 -8.245 5.245 -11.789 1.00 0.00 H ATOM 940 HD21 LEU A 60 -10.264 7.001 -13.225 1.00 0.00 H ATOM 941 HD22 LEU A 60 -8.513 7.300 -13.091 1.00 0.00 H ATOM 942 HD23 LEU A 60 -9.108 5.892 -14.005 1.00 0.00 H ATOM 943 HD11 LEU A 60 -10.178 3.948 -11.044 1.00 0.00 H ATOM 944 HD12 LEU A 60 -11.261 4.990 -11.999 1.00 0.00 H ATOM 945 HD13 LEU A 60 -10.068 3.954 -12.821 1.00 0.00 H ATOM 946 H LEU A 60 -6.892 6.190 -10.142 1.00 0.00 H ATOM 947 N TYR A 61 -7.586 8.830 -8.472 1.00 0.00 N ATOM 948 CA TYR A 61 -7.656 9.473 -7.167 1.00 0.00 C ATOM 949 C TYR A 61 -6.727 10.682 -7.103 1.00 0.00 C ATOM 950 O TYR A 61 -7.117 11.752 -6.637 1.00 0.00 O ATOM 951 CB TYR A 61 -7.292 8.474 -6.070 1.00 0.00 C ATOM 952 CG TYR A 61 -8.320 7.381 -5.886 1.00 0.00 C ATOM 953 CD1 TYR A 61 -9.652 7.689 -5.641 1.00 0.00 C ATOM 954 CD2 TYR A 61 -7.960 6.041 -5.962 1.00 0.00 C ATOM 955 CE1 TYR A 61 -10.596 6.693 -5.475 1.00 0.00 C ATOM 956 CE2 TYR A 61 -8.898 5.040 -5.798 1.00 0.00 C ATOM 957 CZ TYR A 61 -10.214 5.371 -5.555 1.00 0.00 C ATOM 958 OH TYR A 61 -11.151 4.377 -5.391 1.00 0.00 O ATOM 959 HA TYR A 61 -8.678 9.819 -7.012 1.00 0.00 H ATOM 960 HB3 TYR A 61 -7.191 9.015 -5.129 1.00 0.00 H ATOM 961 HB2 TYR A 61 -6.339 8.012 -6.326 1.00 0.00 H ATOM 962 HD2 TYR A 61 -6.920 5.775 -6.154 1.00 0.00 H ATOM 963 HE2 TYR A 61 -8.599 3.994 -5.860 1.00 0.00 H ATOM 964 HE1 TYR A 61 -11.637 6.952 -5.282 1.00 0.00 H ATOM 965 HD1 TYR A 61 -9.958 8.733 -5.579 1.00 0.00 H ATOM 966 HH TYR A 61 -12.038 4.785 -5.226 1.00 0.00 H ATOM 967 H TYR A 61 -6.670 8.775 -8.962 1.00 0.00 H ATOM 968 N THR A 62 -5.498 10.504 -7.576 1.00 0.00 N ATOM 969 CA THR A 62 -4.515 11.582 -7.572 1.00 0.00 C ATOM 970 C THR A 62 -4.850 12.628 -8.631 1.00 0.00 C ATOM 971 O THR A 62 -5.129 12.234 -9.783 1.00 0.00 O ATOM 972 CB THR A 62 -3.113 11.022 -7.818 1.00 0.00 C ATOM 973 OG1 THR A 62 -3.015 10.469 -9.118 1.00 0.00 O ATOM 974 CG2 THR A 62 -2.717 9.945 -6.830 1.00 0.00 C ATOM 975 HA THR A 62 -4.541 12.061 -6.593 1.00 0.00 H ATOM 976 OXT THR A 62 -4.832 13.832 -8.298 1.00 0.00 O ATOM 977 HB THR A 62 -2.438 11.869 -7.697 1.00 0.00 H ATOM 978 HG1 THR A 62 -3.201 11.172 -9.789 1.00 0.00 H ATOM 979 HG23 THR A 62 -2.783 10.341 -5.817 1.00 0.00 H ATOM 980 HG21 THR A 62 -3.390 9.094 -6.933 1.00 0.00 H ATOM 981 HG22 THR A 62 -1.694 9.627 -7.032 1.00 0.00 H ATOM 982 H THR A 62 -5.231 9.574 -7.958 1.00 0.00 H TER 983 THR A 62 HETATM 984 N SER A 1 12.408 13.011 -5.783 1.00 0.24 N HETATM 985 CA SER A 1 12.342 11.889 -6.756 1.00 0.09 C HETATM 986 C SER A 1 12.501 10.542 -6.058 1.00 0.23 C HETATM 987 O SER A 1 11.575 9.731 -6.034 1.00 -0.39 O HETATM 988 N SER A 1 13.681 10.310 -5.490 1.00 -0.26 N HETATM 989 CA SER A 1 13.959 9.062 -4.790 1.00 0.14 C HETATM 990 C SER A 1 13.035 8.896 -3.588 1.00 0.21 C HETATM 991 O SER A 1 12.227 9.776 -3.289 1.00 -0.39 O HETATM 992 N SER A 1 13.160 7.766 -2.900 1.00 -0.26 N HETATM 993 H15 SER A 1 13.836 7.089 -3.191 1.00 0.19 H HETATM 994 CA SER A 1 12.334 7.491 -1.731 1.00 0.13 C HETATM 995 H16 SER A 1 12.257 8.415 -1.139 1.00 0.08 H HETATM 996 C SER A 1 12.966 6.411 -0.853 1.00 0.21 C HETATM 997 O SER A 1 13.747 5.587 -1.327 1.00 -0.39 O HETATM 998 N SER A 1 12.626 6.409 0.444 1.00 -0.25 N HETATM 999 CA SER A 1 13.149 5.433 1.401 1.00 0.13 C HETATM 1000 H28 SER A 1 14.233 5.302 1.269 1.00 0.08 H HETATM 1001 C SER A 1 12.461 4.076 1.283 1.00 0.21 C HETATM 1002 O SER A 1 11.427 3.947 0.629 1.00 -0.39 O HETATM 1003 N SER A 1 13.033 3.046 1.923 1.00 -0.25 N HETATM 1004 CA SER A 1 12.478 1.692 1.897 1.00 0.13 C HETATM 1005 H35 SER A 1 12.339 1.353 0.860 1.00 0.08 H HETATM 1006 C SER A 1 11.145 1.605 2.639 1.00 0.21 C HETATM 1007 O SER A 1 11.020 2.099 3.759 1.00 -0.39 O HETATM 1008 N SER A 1 10.128 0.969 2.029 1.00 -0.25 N HETATM 1009 CA SER A 1 8.811 0.822 2.654 1.00 0.13 C HETATM 1010 H42 SER A 1 8.399 1.805 2.925 1.00 0.08 H HETATM 1011 C SER A 1 8.868 -0.059 3.897 1.00 0.21 C HETATM 1012 O SER A 1 9.764 -0.893 4.034 1.00 -0.39 O HETATM 1013 N SER A 1 7.913 0.110 4.825 1.00 -0.25 N HETATM 1014 CA SER A 1 7.869 -0.680 6.057 1.00 0.13 C HETATM 1015 H49 SER A 1 8.785 -0.522 6.645 1.00 0.08 H HETATM 1016 C SER A 1 7.705 -2.167 5.780 1.00 0.20 C HETATM 1017 O SER A 1 7.633 -2.592 4.627 1.00 -0.39 O HETATM 1018 N SER A 1 7.645 -2.949 6.847 1.00 -0.27 N HETATM 1019 H56 SER A 1 7.709 -2.546 7.760 1.00 0.19 H HETATM 1020 CA SER A 1 7.488 -4.381 6.706 1.00 0.12 C HETATM 1021 H57 SER A 1 6.726 -4.579 5.938 1.00 0.08 H HETATM 1022 C SER A 1 8.776 -5.067 6.301 1.00 0.20 C HETATM 1023 O SER A 1 9.471 -5.633 7.143 1.00 -0.39 O HETATM 1024 N SER A 1 9.092 -5.009 5.008 1.00 -0.26 N HETATM 1025 H59 SER A 1 8.475 -4.531 4.383 1.00 0.19 H HETATM 1026 CA SER A 1 10.309 -5.619 4.469 1.00 0.14 C HETATM 1027 H60 SER A 1 10.176 -5.744 3.384 1.00 0.08 H HETATM 1028 C SER A 1 10.569 -6.996 5.073 1.00 0.21 C HETATM 1029 O SER A 1 9.684 -7.597 5.681 1.00 -0.39 O HETATM 1030 N SER A 1 11.796 -7.482 4.911 1.00 -0.26 N HETATM 1031 H66 SER A 1 12.471 -6.944 4.406 1.00 0.19 H HETATM 1032 CA SER A 1 12.182 -8.778 5.450 1.00 0.13 C HETATM 1033 H67 SER A 1 12.139 -8.723 6.548 1.00 0.08 H HETATM 1034 C SER A 1 13.608 -9.135 5.039 1.00 0.20 C HETATM 1035 O SER A 1 13.866 -9.472 3.884 1.00 -0.39 O HETATM 1036 N SER A 1 14.528 -9.056 5.993 1.00 -0.27 N HETATM 1037 H79 SER A 1 14.254 -8.775 6.913 1.00 0.19 H HETATM 1038 CA SER A 1 15.928 -9.369 5.733 1.00 0.10 C HETATM 1039 H80 SER A 1 15.983 -9.928 4.787 1.00 0.07 H HETATM 1040 C SER A 1 16.514 -10.234 6.844 1.00 0.06 C HETATM 1041 O SER A 1 16.616 -11.463 6.644 1.00 -0.57 O HETATM 1042 OXT SER A 1 16.866 -9.675 7.904 1.00 -0.57 O HETATM 1043 CB SER A 1 16.773 -8.090 5.594 1.00 -0.01 C HETATM 1044 H81 SER A 1 17.834 -8.378 5.567 1.00 0.03 H HETATM 1045 CG1 SER A 1 16.443 -7.369 4.297 1.00 -0.06 C HETATM 1046 H82 SER A 1 17.056 -6.459 4.217 1.00 0.02 H HETATM 1047 H83 SER A 1 15.378 -7.095 4.291 1.00 0.02 H HETATM 1048 H84 SER A 1 16.656 -8.031 3.445 1.00 0.02 H HETATM 1049 CG2 SER A 1 16.557 -7.176 6.791 1.00 -0.06 C HETATM 1050 H85 SER A 1 16.802 -7.719 7.716 1.00 0.02 H HETATM 1051 H86 SER A 1 15.505 -6.855 6.822 1.00 0.02 H HETATM 1052 H87 SER A 1 17.208 -6.294 6.701 1.00 0.02 H HETATM 1053 CB SER A 1 11.216 -9.868 4.980 1.00 -0.01 C HETATM 1054 H68 SER A 1 10.271 -9.756 5.531 1.00 0.03 H HETATM 1055 H69 SER A 1 11.660 -10.848 5.209 1.00 0.03 H HETATM 1056 CG SER A 1 10.913 -9.814 3.491 1.00 -0.02 C HETATM 1057 H70 SER A 1 11.618 -10.469 2.959 1.00 0.03 H HETATM 1058 H71 SER A 1 11.036 -8.779 3.139 1.00 0.03 H HETATM 1059 CD SER A 1 9.494 -10.271 3.193 1.00 0.06 C HETATM 1060 H72 SER A 1 9.193 -9.878 2.211 1.00 0.07 H HETATM 1061 H73 SER A 1 8.823 -9.873 3.968 1.00 0.07 H HETATM 1062 NE SER A 1 9.380 -11.729 3.173 1.00 -0.27 N HETATM 1063 H74 SER A 1 10.162 -12.281 3.553 1.00 0.26 H HETATM 1064 CZ SER A 1 8.327 -12.384 2.693 1.00 0.29 C HETATM 1065 NH1 SER A 1 7.294 -11.718 2.191 1.00 -0.28 N HETATM 1066 H75 SER A 1 6.481 -12.231 1.821 1.00 0.26 H HETATM 1067 H76 SER A 1 7.305 -10.688 2.172 1.00 0.26 H HETATM 1068 NH2 SER A 1 8.305 -13.710 2.714 1.00 -0.28 N HETATM 1069 H77 SER A 1 9.103 -14.232 3.102 1.00 0.26 H HETATM 1070 H78 SER A 1 7.489 -14.217 2.342 1.00 0.26 H HETATM 1071 CB SER A 1 11.510 -4.692 4.703 1.00 0.01 C HETATM 1072 H61 SER A 1 11.217 -3.675 4.405 1.00 0.04 H HETATM 1073 CG SER A 1 12.011 -4.634 6.116 1.00 -0.00 C HETATM 1074 ND1 SER A 1 12.527 -3.485 6.647 1.00 -0.33 N HETATM 1075 CE1 SER A 1 12.911 -3.702 7.893 1.00 0.09 C HETATM 1076 H64 SER A 1 13.359 -2.967 8.560 1.00 0.12 H HETATM 1077 NE2 SER A 1 12.659 -4.961 8.190 1.00 -0.28 N HETATM 1078 CD2 SER A 1 12.096 -5.571 7.097 1.00 0.03 C HETATM 1079 H63 SER A 1 11.777 -6.610 7.029 1.00 0.07 H HETATM 1080 H65 SER A 1 12.853 -5.413 9.095 1.00 0.24 H HETATM 1081 H62 SER A 1 12.336 -5.038 4.064 1.00 0.04 H HETATM 1082 H58 SER A 1 7.154 -4.796 7.668 1.00 0.08 H HETATM 1083 CB SER A 1 6.646 -0.143 6.805 1.00 -0.01 C HETATM 1084 H50 SER A 1 6.956 0.550 7.601 1.00 0.03 H HETATM 1085 CG SER A 1 5.835 0.571 5.778 1.00 -0.03 C HETATM 1086 H52 SER A 1 5.295 1.413 6.237 1.00 0.03 H HETATM 1087 CD SER A 1 6.806 1.076 4.747 1.00 0.04 C HETATM 1088 H54 SER A 1 6.353 1.076 3.745 1.00 0.05 H HETATM 1089 H55 SER A 1 7.150 2.091 4.994 1.00 0.05 H HETATM 1090 H53 SER A 1 5.114 -0.119 5.316 1.00 0.03 H HETATM 1091 H51 SER A 1 6.069 -0.971 7.244 1.00 0.03 H HETATM 1092 CB SER A 1 7.964 0.158 1.563 1.00 -0.01 C HETATM 1093 H43 SER A 1 7.390 0.913 1.005 1.00 0.03 H HETATM 1094 CG SER A 1 8.948 -0.516 0.672 1.00 -0.03 C HETATM 1095 H45 SER A 1 8.552 -0.585 -0.352 1.00 0.03 H HETATM 1096 CD SER A 1 10.182 0.341 0.699 1.00 0.04 C HETATM 1097 H47 SER A 1 11.089 -0.271 0.589 1.00 0.05 H HETATM 1098 H48 SER A 1 10.152 1.100 -0.097 1.00 0.05 H HETATM 1099 H46 SER A 1 9.175 -1.525 1.046 1.00 0.03 H HETATM 1100 H44 SER A 1 7.273 -0.577 2.003 1.00 0.03 H HETATM 1101 CB SER A 1 13.537 0.839 2.614 1.00 -0.01 C HETATM 1102 H36 SER A 1 13.761 -0.065 2.029 1.00 0.03 H HETATM 1103 CG SER A 1 14.751 1.703 2.721 1.00 -0.03 C HETATM 1104 H38 SER A 1 15.417 1.532 1.862 1.00 0.03 H HETATM 1105 CD SER A 1 14.261 3.121 2.724 1.00 0.04 C HETATM 1106 H40 SER A 1 14.046 3.463 3.747 1.00 0.05 H HETATM 1107 H41 SER A 1 14.996 3.795 2.259 1.00 0.05 H HETATM 1108 H39 SER A 1 15.292 1.485 3.654 1.00 0.03 H HETATM 1109 H37 SER A 1 13.183 0.550 3.615 1.00 0.03 H HETATM 1110 CB SER A 1 12.833 6.071 2.750 1.00 -0.01 C HETATM 1111 H29 SER A 1 13.660 6.719 3.077 1.00 0.03 H HETATM 1112 CG SER A 1 11.601 6.873 2.502 1.00 -0.03 C HETATM 1113 H31 SER A 1 11.555 7.725 3.196 1.00 0.03 H HETATM 1114 CD SER A 1 11.698 7.362 1.079 1.00 0.04 C HETATM 1115 H33 SER A 1 10.714 7.338 0.588 1.00 0.05 H HETATM 1116 H34 SER A 1 12.101 8.385 1.042 1.00 0.05 H HETATM 1117 H32 SER A 1 10.706 6.247 2.630 1.00 0.03 H HETATM 1118 H30 SER A 1 12.648 5.299 3.512 1.00 0.03 H HETATM 1119 CB SER A 1 10.921 7.074 -2.162 1.00 -0.01 C HETATM 1120 H17 SER A 1 10.671 7.612 -3.088 1.00 0.03 H HETATM 1121 CG SER A 1 10.756 5.583 -2.419 1.00 -0.02 C HETATM 1122 H19 SER A 1 9.692 5.367 -2.594 1.00 0.03 H HETATM 1123 CD SER A 1 11.557 5.128 -3.630 1.00 0.06 C HETATM 1124 H21 SER A 1 11.957 6.014 -4.144 1.00 0.07 H HETATM 1125 NE SER A 1 12.669 4.257 -3.257 1.00 -0.27 N HETATM 1126 H23 SER A 1 12.979 4.261 -2.275 1.00 0.26 H HETATM 1127 CZ SER A 1 13.305 3.459 -4.112 1.00 0.29 C HETATM 1128 NH1 SER A 1 12.943 3.418 -5.388 1.00 -0.28 N HETATM 1129 H24 SER A 1 13.439 2.798 -6.044 1.00 0.26 H HETATM 1130 H25 SER A 1 12.166 4.006 -5.722 1.00 0.26 H HETATM 1131 NH2 SER A 1 14.308 2.702 -3.689 1.00 -0.28 N HETATM 1132 H26 SER A 1 14.593 2.730 -2.700 1.00 0.26 H HETATM 1133 H27 SER A 1 14.802 2.086 -4.350 1.00 0.26 H HETATM 1134 H22 SER A 1 10.890 4.580 -4.311 1.00 0.07 H HETATM 1135 H20 SER A 1 11.102 5.028 -1.534 1.00 0.03 H HETATM 1136 H18 SER A 1 10.219 7.366 -1.367 1.00 0.03 H HETATM 1137 CB SER A 1 15.419 9.021 -4.337 1.00 0.01 C HETATM 1138 CG SER A 1 15.790 10.138 -3.412 1.00 -0.00 C HETATM 1139 ND1 SER A 1 16.918 10.913 -3.580 1.00 -0.33 N HETATM 1140 CE1 SER A 1 16.980 11.813 -2.615 1.00 0.09 C HETATM 1141 H13 SER A 1 17.761 12.561 -2.491 1.00 0.12 H HETATM 1142 NE2 SER A 1 15.934 11.651 -1.827 1.00 -0.28 N HETATM 1143 CD2 SER A 1 15.174 10.611 -2.302 1.00 0.03 C HETATM 1144 H12 SER A 1 14.248 10.236 -1.867 1.00 0.07 H HETATM 1145 H14 SER A 1 15.722 12.214 -0.991 1.00 0.24 H HETATM 1146 H10 SER A 1 16.061 9.079 -5.228 1.00 0.04 H HETATM 1147 H11 SER A 1 15.596 8.067 -3.819 1.00 0.04 H HETATM 1148 H9 SER A 1 13.783 8.227 -5.484 1.00 0.08 H HETATM 1149 H8 SER A 1 14.395 11.008 -5.544 1.00 0.19 H HETATM 1150 CB SER A 1 13.450 12.078 -7.794 1.00 0.10 C HETATM 1151 OG SER A 1 13.734 13.452 -7.992 1.00 -0.39 O HETATM 1152 H7 SER A 1 14.424 13.542 -8.639 1.00 0.21 H HETATM 1153 H5 SER A 1 13.127 11.637 -8.748 1.00 0.06 H HETATM 1154 H6 SER A 1 14.361 11.570 -7.444 1.00 0.06 H HETATM 1155 H4 SER A 1 11.365 11.911 -7.261 1.00 0.11 H HETATM 1156 H1 SER A 1 12.300 13.886 -6.271 1.00 0.20 H HETATM 1157 H2 SER A 1 13.300 12.996 -5.313 1.00 0.20 H HETATM 1158 H3 SER A 1 11.669 12.912 -5.105 1.00 0.20 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 984 985 1156 1157 1158 CONECT 985 984 986 1150 1155 CONECT 986 985 987 988 CONECT 987 986 CONECT 988 986 989 1149 CONECT 989 988 990 1137 1148 CONECT 990 989 991 992 CONECT 991 990 CONECT 992 990 993 994 CONECT 993 992 CONECT 994 992 995 996 1119 CONECT 995 994 CONECT 996 994 997 998 CONECT 997 996 CONECT 998 996 999 1114 CONECT 999 998 1000 1001 1110 CONECT 1000 999 CONECT 1001 999 1002 1003 CONECT 1002 1001 CONECT 1003 1001 1004 1105 CONECT 1004 1003 1005 1006 1101 CONECT 1005 1004 CONECT 1006 1004 1007 1008 CONECT 1007 1006 CONECT 1008 1006 1009 1096 CONECT 1009 1008 1010 1011 1092 CONECT 1010 1009 CONECT 1011 1009 1012 1013 CONECT 1012 1011 CONECT 1013 1011 1014 1087 CONECT 1014 1013 1015 1016 1083 CONECT 1015 1014 CONECT 1016 1014 1017 1018 CONECT 1017 1016 CONECT 1018 1016 1019 1020 CONECT 1019 1018 CONECT 1020 1018 1021 1022 1082 CONECT 1021 1020 CONECT 1022 1020 1023 1024 CONECT 1023 1022 CONECT 1024 1022 1025 1026 CONECT 1025 1024 CONECT 1026 1024 1027 1028 1071 CONECT 1027 1026 CONECT 1028 1026 1029 1030 CONECT 1029 1028 CONECT 1030 1028 1031 1032 CONECT 1031 1030 CONECT 1032 1030 1033 1034 1053 CONECT 1033 1032 CONECT 1034 1032 1035 1036 CONECT 1035 1034 CONECT 1036 1034 1037 1038 CONECT 1037 1036 CONECT 1038 1036 1039 1040 1043 CONECT 1039 1038 CONECT 1040 1038 1041 1042 CONECT 1041 1040 CONECT 1042 1040 CONECT 1043 1038 1044 1045 1049 CONECT 1044 1043 CONECT 1045 1043 1046 1047 1048 CONECT 1046 1045 CONECT 1047 1045 CONECT 1048 1045 CONECT 1049 1043 1050 1051 1052 CONECT 1050 1049 CONECT 1051 1049 CONECT 1052 1049 CONECT 1053 1032 1054 1055 1056 CONECT 1054 1053 CONECT 1055 1053 CONECT 1056 1053 1057 1058 1059 CONECT 1057 1056 CONECT 1058 1056 CONECT 1059 1056 1060 1061 1062 CONECT 1060 1059 CONECT 1061 1059 CONECT 1062 1059 1063 1064 CONECT 1063 1062 CONECT 1064 1062 1065 1068 CONECT 1065 1064 1066 1067 CONECT 1066 1065 CONECT 1067 1065 CONECT 1068 1064 1069 1070 CONECT 1069 1068 CONECT 1070 1068 CONECT 1071 1026 1072 1073 1081 CONECT 1072 1071 CONECT 1073 1071 1074 1078 CONECT 1074 1073 1075 CONECT 1075 1074 1076 1077 CONECT 1076 1075 CONECT 1077 1075 1078 1080 CONECT 1078 1073 1077 1079 CONECT 1079 1078 CONECT 1080 1077 CONECT 1081 1071 CONECT 1082 1020 CONECT 1083 1014 1084 1085 1091 CONECT 1084 1083 CONECT 1085 1083 1086 1087 1090 CONECT 1086 1085 CONECT 1087 1013 1085 1088 1089 CONECT 1088 1087 CONECT 1089 1087 CONECT 1090 1085 CONECT 1091 1083 CONECT 1092 1009 1093 1094 1100 CONECT 1093 1092 CONECT 1094 1092 1095 1096 1099 CONECT 1095 1094 CONECT 1096 1008 1094 1097 1098 CONECT 1097 1096 CONECT 1098 1096 CONECT 1099 1094 CONECT 1100 1092 CONECT 1101 1004 1102 1103 1109 CONECT 1102 1101 CONECT 1103 1101 1104 1105 1108 CONECT 1104 1103 CONECT 1105 1003 1103 1106 1107 CONECT 1106 1105 CONECT 1107 1105 CONECT 1108 1103 CONECT 1109 1101 CONECT 1110 999 1111 1112 1118 CONECT 1111 1110 CONECT 1112 1110 1113 1114 1117 CONECT 1113 1112 CONECT 1114 998 1112 1115 1116 CONECT 1115 1114 CONECT 1116 1114 CONECT 1117 1112 CONECT 1118 1110 CONECT 1119 994 1120 1121 1136 CONECT 1120 1119 CONECT 1121 1119 1122 1123 1135 CONECT 1122 1121 CONECT 1123 1121 1124 1125 1134 CONECT 1124 1123 CONECT 1125 1123 1126 1127 CONECT 1126 1125 CONECT 1127 1125 1128 1131 CONECT 1128 1127 1129 1130 CONECT 1129 1128 CONECT 1130 1128 CONECT 1131 1127 1132 1133 CONECT 1132 1131 CONECT 1133 1131 CONECT 1134 1123 CONECT 1135 1121 CONECT 1136 1119 CONECT 1137 989 1138 1146 1147 CONECT 1138 1137 1139 1143 CONECT 1139 1138 1140 CONECT 1140 1139 1141 1142 CONECT 1141 1140 CONECT 1142 1140 1143 1145 CONECT 1143 1138 1142 1144 CONECT 1144 1143 CONECT 1145 1142 CONECT 1146 1137 CONECT 1147 1137 CONECT 1148 989 CONECT 1149 988 CONECT 1150 985 1151 1153 1154 CONECT 1151 1150 1152 CONECT 1152 1151 CONECT 1153 1150 CONECT 1154 1150 CONECT 1155 985 CONECT 1156 984 CONECT 1157 984 CONECT 1158 984 MASTER 0 0 0 0 0 0 0 0 1157 1 179 5 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 1l2z
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1avp
RCSB PDB
PDBbind
11-mer
1bbz
RCSB PDB
PDBbind
11-mer
1c5f
RCSB PDB
PDBbind
11-mer
1cwb
RCSB PDB
PDBbind
11-mer
1cwc
RCSB PDB
PDBbind
11-mer
1cyn
RCSB PDB
PDBbind
11-mer
1d4t
RCSB PDB
PDBbind
11-mer
1d4w
RCSB PDB
PDBbind
11-mer
1d8e
RCSB PDB
PDBbind
11-mer
1ddm
RCSB PDB
PDBbind
11-mer
1ff1
RCSB PDB
PDBbind
11-mer
1h25
RCSB PDB
PDBbind
11-mer
1h26
RCSB PDB
PDBbind
11-mer
1h27
RCSB PDB
PDBbind
11-mer
1h28
RCSB PDB
PDBbind
11-mer
1h3h
RCSB PDB
PDBbind
11-mer
1h6e
RCSB PDB
PDBbind
11-mer
1iq1
RCSB PDB
PDBbind
11-mer
1irs
RCSB PDB
PDBbind
11-mer
1jm4
RCSB PDB
PDBbind
11-mer
1lcj
RCSB PDB
PDBbind
11-mer
1mik
RCSB PDB
PDBbind
11-mer
1om2
RCSB PDB
PDBbind
11-mer
1ox9
RCSB PDB
PDBbind
11-mer
1qng
RCSB PDB
PDBbind
11-mer
1qnh
RCSB PDB
PDBbind
11-mer
1s9v
RCSB PDB
PDBbind
11-mer
1sps
RCSB PDB
PDBbind
11-mer
1ths
RCSB PDB
PDBbind
11-mer
1uj0
RCSB PDB
PDBbind
11-mer
1ukh
RCSB PDB
PDBbind
11-mer
1xn2
RCSB PDB
PDBbind
11-mer
1zh7
RCSB PDB
PDBbind
11-mer
1zub
RCSB PDB
PDBbind
11-mer
2aof
RCSB PDB
PDBbind
11-mer
2aoi
RCSB PDB
PDBbind
11-mer
2bj4
RCSB PDB
PDBbind
11-mer
2bz8
RCSB PDB
PDBbind
11-mer
2cia
RCSB PDB
PDBbind
11-mer
2cv3
RCSB PDB
PDBbind
11-mer
2eh8
RCSB PDB
PDBbind
11-mer
2ez5
RCSB PDB
PDBbind
11-mer
2h2g
RCSB PDB
PDBbind
11-mer
2h2h
RCSB PDB
PDBbind
11-mer
2h9m
RCSB PDB
PDBbind
11-mer
2h9n
RCSB PDB
PDBbind
11-mer
2h9p
RCSB PDB
PDBbind
11-mer
2hdx
RCSB PDB
PDBbind
11-mer
2hmh
RCSB PDB
PDBbind
11-mer
2jdl
RCSB PDB
PDBbind
11-mer
2jkr
RCSB PDB
PDBbind
11-mer
2jkt
RCSB PDB
PDBbind
11-mer
2kpl
RCSB PDB
PDBbind
11-mer
2ks9
RCSB PDB
PDBbind
11-mer
2ksa
RCSB PDB
PDBbind
11-mer
2ksb
RCSB PDB
PDBbind
11-mer
2l3r
RCSB PDB
PDBbind
11-mer
2m0o
RCSB PDB
PDBbind
11-mer
2m3m
RCSB PDB
PDBbind
11-mer
2m3o
RCSB PDB
PDBbind
11-mer
2o9k
RCSB PDB
PDBbind
11-mer
2or9
RCSB PDB
PDBbind
11-mer
2qhr
RCSB PDB
PDBbind
11-mer
2r02
RCSB PDB
PDBbind
11-mer
2r05
RCSB PDB
PDBbind
11-mer
2w9r
RCSB PDB
PDBbind
11-mer
2wfj
RCSB PDB
PDBbind
11-mer
2x2c
RCSB PDB
PDBbind
11-mer
2z6w
RCSB PDB
PDBbind
11-mer
3asl
RCSB PDB
PDBbind
11-mer
3ax5
RCSB PDB
PDBbind
11-mer
3dpo
RCSB PDB
PDBbind
11-mer
3e8u
RCSB PDB
PDBbind
11-mer
3eov
RCSB PDB
PDBbind
11-mer
3eyf
RCSB PDB
PDBbind
11-mer
3gxz
RCSB PDB
PDBbind
11-mer
3i90
RCSB PDB
PDBbind
11-mer
3iiw
RCSB PDB
PDBbind
11-mer
3iiy
RCSB PDB
PDBbind
11-mer
3ij0
RCSB PDB
PDBbind
11-mer
3ij1
RCSB PDB
PDBbind
11-mer
3lgl
RCSB PDB
PDBbind
11-mer
3ll8
RCSB PDB
PDBbind
11-mer
3m53
RCSB PDB
PDBbind
11-mer
3m54
RCSB PDB
PDBbind
11-mer
3m55
RCSB PDB
PDBbind
11-mer
3m56
RCSB PDB
PDBbind
11-mer
3m57
RCSB PDB
PDBbind
11-mer
3m58
RCSB PDB
PDBbind
11-mer
3m59
RCSB PDB
PDBbind
11-mer
3m5a
RCSB PDB
PDBbind
11-mer
3me9
RCSB PDB
PDBbind
11-mer
3mea
RCSB PDB
PDBbind
11-mer
3met
RCSB PDB
PDBbind
11-mer
3oap
RCSB PDB
PDBbind
11-mer
3odi
RCSB PDB
PDBbind
11-mer
3odl
RCSB PDB
PDBbind
11-mer
3p4f
RCSB PDB
PDBbind
11-mer
3p9h
RCSB PDB
PDBbind
11-mer
3pqz
RCSB PDB
PDBbind
11-mer
3qzv
RCSB PDB
PDBbind
11-mer
3rbq
RCSB PDB
PDBbind
11-mer
3rl7
RCSB PDB
PDBbind
11-mer
3rl8
RCSB PDB
PDBbind
11-mer
3rwd
RCSB PDB
PDBbind
11-mer
3tg5
RCSB PDB
PDBbind
11-mer
3u0t
RCSB PDB
PDBbind
11-mer
3uvk
RCSB PDB
PDBbind
11-mer
3uvl
RCSB PDB
PDBbind
11-mer
3uvn
RCSB PDB
PDBbind
11-mer
3uvo
RCSB PDB
PDBbind
11-mer
3uvx
RCSB PDB
PDBbind
11-mer
3uw9
RCSB PDB
PDBbind
11-mer
3v2x
RCSB PDB
PDBbind
11-mer
3va4
RCSB PDB
PDBbind
11-mer
3zke
RCSB PDB
PDBbind
11-mer
3zkf
RCSB PDB
PDBbind
11-mer
4aa2
RCSB PDB
PDBbind
11-mer
4b8o
RCSB PDB
PDBbind
11-mer
4bd3
RCSB PDB
PDBbind
11-mer
4ds1
RCSB PDB
PDBbind
11-mer
4e9c
RCSB PDB
PDBbind
11-mer
4fgy
RCSB PDB
PDBbind
11-mer
4g69
RCSB PDB
PDBbind
11-mer
4ht6
RCSB PDB
PDBbind
11-mer
4htp
RCSB PDB
PDBbind
11-mer
4hyb
RCSB PDB
PDBbind
11-mer
4j7i
RCSB PDB
PDBbind
11-mer
4j8g
RCSB PDB
PDBbind
11-mer
4jjm
RCSB PDB
PDBbind
11-mer
4ln2
RCSB PDB
PDBbind
11-mer
4n7g
RCSB PDB
PDBbind
11-mer
4n7y
RCSB PDB
PDBbind
11-mer
4o3t
RCSB PDB
PDBbind
11-mer
4o62
RCSB PDB
PDBbind
11-mer
4pl6
RCSB PDB
PDBbind
11-mer
4pli
RCSB PDB
PDBbind
11-mer
4pr5
RCSB PDB
PDBbind
11-mer
4pra
RCSB PDB
PDBbind
11-mer
4prb
RCSB PDB
PDBbind
11-mer
4prd
RCSB PDB
PDBbind
11-mer
4pre
RCSB PDB
PDBbind
11-mer
4prh
RCSB PDB
PDBbind
11-mer
4pri
RCSB PDB
PDBbind
11-mer
4prn
RCSB PDB
PDBbind
11-mer
4prp
RCSB PDB
PDBbind
11-mer
4pxf
RCSB PDB
PDBbind
11-mer
4qc1
RCSB PDB
PDBbind
11-mer
4qyo
RCSB PDB
PDBbind
11-mer
4tk1
RCSB PDB
PDBbind
11-mer
4tk2
RCSB PDB
PDBbind
11-mer
4tk3
RCSB PDB
PDBbind
11-mer
4tk4
RCSB PDB
PDBbind
11-mer
4tmp
RCSB PDB
PDBbind
11-mer
4u68
RCSB PDB
PDBbind
11-mer
4u91
RCSB PDB
PDBbind
11-mer
4w5a
RCSB PDB
PDBbind
11-mer
4wph
RCSB PDB
PDBbind
11-mer
4x6s
RCSB PDB
PDBbind
11-mer
4xc2
RCSB PDB
PDBbind
11-mer
4yje
RCSB PDB
PDBbind
11-mer
4yk6
RCSB PDB
PDBbind
11-mer
4yv9
RCSB PDB
PDBbind
11-mer
4yy6
RCSB PDB
PDBbind
11-mer
4yyi
RCSB PDB
PDBbind
11-mer
4yym
RCSB PDB
PDBbind
11-mer
4yyn
RCSB PDB
PDBbind
11-mer
5a0e
RCSB PDB
PDBbind
11-mer
5agu
RCSB PDB
PDBbind
11-mer
5agv
RCSB PDB
PDBbind
11-mer
5ah2
RCSB PDB
PDBbind
11-mer
5awt
RCSB PDB
PDBbind
11-mer
5awu
RCSB PDB
PDBbind
11-mer
5b6c
RCSB PDB
PDBbind
11-mer
5c6v
RCSB PDB
PDBbind
11-mer
5c7e
RCSB PDB
PDBbind
11-mer
5c7f
RCSB PDB
PDBbind
11-mer
5csz
RCSB PDB
PDBbind
11-mer
5dah
RCSB PDB
PDBbind
11-mer
5ewz
RCSB PDB
PDBbind
11-mer
5ez0
RCSB PDB
PDBbind
11-mer
5hpm
RCSB PDB
PDBbind
11-mer
5ick
RCSB PDB
PDBbind
11-mer
5id0
RCSB PDB
PDBbind
11-mer
5igq
RCSB PDB
PDBbind
11-mer
5jin
RCSB PDB
PDBbind
11-mer
5jiy
RCSB PDB
PDBbind
11-mer
5jm4
RCSB PDB
PDBbind
11-mer
5kez
RCSB PDB
PDBbind
11-mer
5l3f
RCSB PDB
PDBbind
11-mer
5l3g
RCSB PDB
PDBbind
11-mer
5lgq
RCSB PDB
PDBbind
11-mer
5mlw
RCSB PDB
PDBbind
11-mer
5nne
RCSB PDB
PDBbind
11-mer
5svx
RCSB PDB
PDBbind
11-mer
5svy
RCSB PDB
PDBbind
11-mer
5tdr
RCSB PDB
PDBbind
11-mer
5tdw
RCSB PDB
PDBbind
11-mer
5tq1
RCSB PDB
PDBbind
11-mer
5tqs
RCSB PDB
PDBbind
11-mer
5vlk
RCSB PDB
PDBbind
11-mer
5xhz
RCSB PDB
PDBbind
11-mer
5ygd
RCSB PDB
PDBbind
11-mer
6au5
RCSB PDB
PDBbind
11-mer
6axj
RCSB PDB
PDBbind
11-mer
6axp
RCSB PDB
PDBbind
11-mer
6ayn
RCSB PDB
PDBbind
11-mer
6azk
RCSB PDB
PDBbind
11-mer
6azl
RCSB PDB
PDBbind
11-mer
6ct7
RCSB PDB
PDBbind
11-mer
6g0q
RCSB PDB
PDBbind
11-mer
6qzr
RCSB PDB
PDBbind
11-mer
6qtw
RCSB PDB
PDBbind
11-mer
6qs1
RCSB PDB
PDBbind
11-mer
6om2
RCSB PDB
PDBbind
11-mer
6i5n
RCSB PDB
PDBbind
11-mer
6i5j
RCSB PDB
PDBbind
11-mer
6i4x
RCSB PDB
PDBbind
11-mer
6hks
RCSB PDB
PDBbind
11-mer
6gy5
RCSB PDB
PDBbind
11-mer
6g8q
RCSB PDB
PDBbind
11-mer
6g8p
RCSB PDB
PDBbind
11-mer
6g8l
RCSB PDB
PDBbind
11-mer
6g8k
RCSB PDB
PDBbind
11-mer
6g8j
RCSB PDB
PDBbind
11-mer
6g8i
RCSB PDB
PDBbind
11-mer
6g6x
RCSB PDB
PDBbind
11-mer
Entry Information
PDB ID
1l2z
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
cd2 antigen (cytoplasmic tail)-binding protein
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=203uM
Release Year
2002
Protein/NA Sequence
Check fasta file
Primary Reference
Embo J. v21 pp. 5985-95, 2002
Ligand Properties
Formula
C
5
4
H
8
8
N
2
1
O
1
3
Molecular Weight
1239.410
Exact Mass
1238.690
No. of atoms
176
No. of bonds
181
Polar Surface Area
530.39
LOGP Value
-2.58 (
Computed with XLOGP3
)
-6.07 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 10
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 41
No. of Nitrogen and Oxygen Atoms: 34
No. of Rings: 6
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CCC[NH+]=C(N)N)Cc1c[nH]cn1)CCC[NH+]=C(N)N)Cc1c[nH]cn1)[NH3+]
InChI String
InChI=1S/C54H85N21O13/c1-29(2)42(52(87)88)71-44(79)33(9-3-15-62-53(56)57)68-45(80)35(21-30-23-60-27-65-30)67-41(77)25-64-47(82)37-11-5-17-72(37)49(84)39-13-7-19-74(39)51(86)40-14-8-20-75(40)50(85)38-12-6-18-73(38)48(83)34(10-4-16-63-54(58)59)69-46(81)36(22-31-24-61-28-66-31)70-43(78)32(55)26-76/h23-24,27-29,32-40,42,76H,3-22,25-26,55H2,1-2H3,(H,60,65)(H,61,66)(H,64,82)(H,67,77)(H,68,80)(H,69,81)(H,70,78)(H,71,79)(H,87,88)(H4,56,57,62)(H4,58,59,63)/p+3/t32-,33-,34-,35-,36-,37-,38-,39-,40-,42-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O95400
P06729
Entrez Gene ID
NCBI Entrez Gene ID:
10421
914
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com