Browse entries in the PDBbind-CN Database
HEADER 2MPM_COMPLEX COMPND 2MPM_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 74 GLY PRO ALA SER VAL PRO THR THR CYS CYS PHE ASN LEU SEQRES 2 A 74 ALA ASN ARG LYS ILE PRO LEU GLN ARG LEU GLU SER TYR SEQRES 3 A 74 ARG ARG ILE THR SER GLY LYS CYS PRO GLN LYS ALA VAL SEQRES 4 A 74 ILE PHE LYS THR LYS LEU ALA LYS ASP ILE CYS ALA ASP SEQRES 5 A 74 PRO LYS LYS LYS TRP VAL GLN ASP SER MET LYS TYR LEU SEQRES 6 A 74 ASP GLN LYS SER PRO THR PRO LYS PRO HET VAL A 75 247 SSBOND 1 CYS A 9 CYS A 34 SSBOND 2 CYS A 10 CYS A 50 ATOM 1 N GLY A 1 4.149 -15.122 -11.465 1.00 0.00 N ATOM 2 CA GLY A 1 3.867 -13.675 -11.682 1.00 0.00 C ATOM 3 C GLY A 1 3.605 -12.998 -10.340 1.00 0.00 C ATOM 4 O GLY A 1 3.760 -13.612 -9.284 1.00 0.00 O ATOM 5 HN3 GLY A 1 3.330 -15.569 -11.006 1.00 0.00 H ATOM 6 HN2 GLY A 1 4.986 -15.223 -10.857 1.00 0.00 H ATOM 7 HN1 GLY A 1 4.327 -15.580 -12.381 1.00 0.00 H ATOM 8 N PRO A 2 3.213 -11.752 -10.365 1.00 0.00 N ATOM 9 CA PRO A 2 2.922 -10.971 -9.127 1.00 0.00 C ATOM 10 C PRO A 2 2.068 -11.761 -8.134 1.00 0.00 C ATOM 11 O PRO A 2 1.419 -12.740 -8.501 1.00 0.00 O ATOM 12 CB PRO A 2 2.174 -9.740 -9.653 1.00 0.00 C ATOM 13 CG PRO A 2 2.692 -9.544 -11.042 1.00 0.00 C ATOM 14 CD PRO A 2 3.002 -10.946 -11.581 1.00 0.00 C ATOM 15 N ALA A 3 2.077 -11.326 -6.878 1.00 0.00 N ATOM 16 CA ALA A 3 1.303 -11.999 -5.842 1.00 0.00 C ATOM 17 C ALA A 3 1.137 -11.095 -4.625 1.00 0.00 C ATOM 18 O ALA A 3 1.928 -10.177 -4.409 1.00 0.00 O ATOM 19 CB ALA A 3 2.001 -13.295 -5.425 1.00 0.00 C ATOM 20 H ALA A 3 2.646 -10.491 -6.630 1.00 0.00 H ATOM 21 N SER A 4 0.104 -11.360 -3.833 1.00 0.00 N ATOM 22 CA SER A 4 -0.156 -10.562 -2.640 1.00 0.00 C ATOM 23 C SER A 4 -1.276 -11.183 -1.811 1.00 0.00 C ATOM 24 O SER A 4 -1.904 -10.510 -0.995 1.00 0.00 O ATOM 25 CB SER A 4 -0.543 -9.138 -3.038 1.00 0.00 C ATOM 26 OG SER A 4 -0.966 -8.426 -1.883 1.00 0.00 O ATOM 27 HG SER A 4 -1.748 -8.883 -1.483 1.00 0.00 H ATOM 28 H SER A 4 -0.530 -12.150 -4.068 1.00 0.00 H ATOM 29 N VAL A 5 -1.521 -12.472 -2.028 1.00 0.00 N ATOM 30 CA VAL A 5 -2.568 -13.173 -1.294 1.00 0.00 C ATOM 31 C VAL A 5 -2.143 -13.470 0.151 1.00 0.00 C ATOM 32 O VAL A 5 -2.980 -13.451 1.054 1.00 0.00 O ATOM 33 CB VAL A 5 -2.930 -14.482 -2.009 1.00 0.00 C ATOM 34 CG1 VAL A 5 -4.319 -14.950 -1.565 1.00 0.00 C ATOM 35 CG2 VAL A 5 -2.932 -14.249 -3.522 1.00 0.00 C ATOM 36 H VAL A 5 -0.957 -12.988 -2.733 1.00 0.00 H ATOM 37 N PRO A 6 -0.881 -13.747 0.395 1.00 0.00 N ATOM 38 CA PRO A 6 -0.388 -14.053 1.774 1.00 0.00 C ATOM 39 C PRO A 6 -0.737 -12.943 2.766 1.00 0.00 C ATOM 40 O PRO A 6 -1.120 -11.842 2.372 1.00 0.00 O ATOM 41 CB PRO A 6 1.135 -14.194 1.598 1.00 0.00 C ATOM 42 CG PRO A 6 1.324 -14.536 0.157 1.00 0.00 C ATOM 43 CD PRO A 6 0.215 -13.802 -0.591 1.00 0.00 C ATOM 44 N THR A 7 -0.599 -13.243 4.054 1.00 0.00 N ATOM 45 CA THR A 7 -0.901 -12.264 5.093 1.00 0.00 C ATOM 46 C THR A 7 -0.182 -10.948 4.813 1.00 0.00 C ATOM 47 O THR A 7 0.967 -10.759 5.213 1.00 0.00 O ATOM 48 CB THR A 7 -0.472 -12.802 6.459 1.00 0.00 C ATOM 49 OG1 THR A 7 0.919 -13.090 6.437 1.00 0.00 O ATOM 50 CG2 THR A 7 -1.255 -14.077 6.776 1.00 0.00 C ATOM 51 HG1 THR A 7 1.423 -12.262 6.234 1.00 0.00 H ATOM 52 H THR A 7 -0.270 -14.192 4.326 1.00 0.00 H ATOM 53 N THR A 8 -0.866 -10.040 4.125 1.00 0.00 N ATOM 54 CA THR A 8 -0.283 -8.744 3.797 1.00 0.00 C ATOM 55 C THR A 8 -1.361 -7.774 3.327 1.00 0.00 C ATOM 56 O THR A 8 -1.644 -7.675 2.134 1.00 0.00 O ATOM 57 CB THR A 8 0.772 -8.908 2.699 1.00 0.00 C ATOM 58 OG1 THR A 8 1.706 -9.905 3.088 1.00 0.00 O ATOM 59 CG2 THR A 8 1.498 -7.580 2.484 1.00 0.00 C ATOM 60 HG1 THR A 8 1.233 -10.764 3.224 1.00 0.00 H ATOM 61 H THR A 8 -1.835 -10.257 3.815 1.00 0.00 H ATOM 62 N CYS A 9 -1.960 -7.059 4.275 1.00 0.00 N ATOM 63 CA CYS A 9 -3.008 -6.099 3.946 1.00 0.00 C ATOM 64 C CYS A 9 -3.393 -5.284 5.177 1.00 0.00 C ATOM 65 O CYS A 9 -3.526 -5.825 6.274 1.00 0.00 O ATOM 66 CB CYS A 9 -4.241 -6.833 3.414 1.00 0.00 C ATOM 67 SG CYS A 9 -5.436 -5.628 2.786 1.00 0.00 S ATOM 68 H CYS A 9 -1.677 -7.186 5.267 1.00 0.00 H ATOM 69 N CYS A 10 -3.574 -3.981 4.985 1.00 0.00 N ATOM 70 CA CYS A 10 -3.946 -3.102 6.089 1.00 0.00 C ATOM 71 C CYS A 10 -5.410 -3.326 6.469 1.00 0.00 C ATOM 72 O CYS A 10 -6.232 -3.673 5.621 1.00 0.00 O ATOM 73 CB CYS A 10 -3.721 -1.628 5.690 1.00 0.00 C ATOM 74 SG CYS A 10 -2.466 -1.537 4.389 1.00 0.00 S ATOM 75 H CYS A 10 -3.449 -3.582 4.033 1.00 0.00 H ATOM 76 N PHE A 11 -5.731 -3.116 7.741 1.00 0.00 N ATOM 77 CA PHE A 11 -7.103 -3.291 8.203 1.00 0.00 C ATOM 78 C PHE A 11 -8.063 -2.573 7.260 1.00 0.00 C ATOM 79 O PHE A 11 -9.249 -2.894 7.198 1.00 0.00 O ATOM 80 CB PHE A 11 -7.256 -2.730 9.618 1.00 0.00 C ATOM 81 CG PHE A 11 -6.373 -3.506 10.566 1.00 0.00 C ATOM 82 CD1 PHE A 11 -6.864 -4.652 11.201 1.00 0.00 C ATOM 83 CD2 PHE A 11 -5.062 -3.079 10.809 1.00 0.00 C ATOM 84 CE1 PHE A 11 -6.045 -5.372 12.079 1.00 0.00 C ATOM 85 CE2 PHE A 11 -4.243 -3.797 11.688 1.00 0.00 C ATOM 86 CZ PHE A 11 -4.735 -4.943 12.323 1.00 0.00 C ATOM 87 H PHE A 11 -4.995 -2.823 8.415 1.00 0.00 H ATOM 88 N ASN A 12 -7.527 -1.603 6.524 1.00 0.00 N ATOM 89 CA ASN A 12 -8.322 -0.834 5.573 1.00 0.00 C ATOM 90 C ASN A 12 -7.462 0.256 4.936 1.00 0.00 C ATOM 91 O ASN A 12 -6.757 0.008 3.957 1.00 0.00 O ATOM 92 CB ASN A 12 -9.528 -0.206 6.282 1.00 0.00 C ATOM 93 CG ASN A 12 -9.112 0.323 7.650 1.00 0.00 C ATOM 94 OD1 ASN A 12 -7.930 0.571 7.888 1.00 0.00 O ATOM 95 ND2 ASN A 12 -10.019 0.511 8.569 1.00 0.00 N ATOM 96 HD22 ASN A 12 -11.017 0.301 8.365 1.00 0.00 H ATOM 97 HD21 ASN A 12 -9.744 0.871 9.505 1.00 0.00 H ATOM 98 H ASN A 12 -6.515 -1.387 6.629 1.00 0.00 H ATOM 99 N LEU A 13 -7.516 1.462 5.504 1.00 0.00 N ATOM 100 CA LEU A 13 -6.731 2.594 4.994 1.00 0.00 C ATOM 101 C LEU A 13 -5.739 3.065 6.053 1.00 0.00 C ATOM 102 O LEU A 13 -5.853 2.706 7.226 1.00 0.00 O ATOM 103 CB LEU A 13 -7.659 3.755 4.615 1.00 0.00 C ATOM 104 CG LEU A 13 -8.857 3.229 3.821 1.00 0.00 C ATOM 105 CD1 LEU A 13 -9.805 4.386 3.500 1.00 0.00 C ATOM 106 CD2 LEU A 13 -8.370 2.592 2.514 1.00 0.00 C ATOM 107 H LEU A 13 -8.131 1.605 6.331 1.00 0.00 H ATOM 108 N ALA A 14 -4.766 3.869 5.635 1.00 0.00 N ATOM 109 CA ALA A 14 -3.760 4.378 6.562 1.00 0.00 C ATOM 110 C ALA A 14 -4.348 5.477 7.442 1.00 0.00 C ATOM 111 O ALA A 14 -5.416 5.307 8.031 1.00 0.00 O ATOM 112 CB ALA A 14 -2.560 4.924 5.782 1.00 0.00 C ATOM 113 H ALA A 14 -4.721 4.139 4.632 1.00 0.00 H ATOM 114 N ASN A 15 -3.645 6.605 7.532 1.00 0.00 N ATOM 115 CA ASN A 15 -4.111 7.724 8.348 1.00 0.00 C ATOM 116 C ASN A 15 -3.531 9.042 7.840 1.00 0.00 C ATOM 117 O ASN A 15 -3.989 9.583 6.834 1.00 0.00 O ATOM 118 CB ASN A 15 -3.702 7.511 9.806 1.00 0.00 C ATOM 119 CG ASN A 15 -4.461 6.325 10.393 1.00 0.00 C ATOM 120 OD1 ASN A 15 -3.870 5.280 10.662 1.00 0.00 O ATOM 121 ND2 ASN A 15 -5.744 6.427 10.608 1.00 0.00 N ATOM 122 HD22 ASN A 15 -6.241 7.312 10.380 1.00 0.00 H ATOM 123 HD21 ASN A 15 -6.270 5.624 11.008 1.00 0.00 H ATOM 124 H ASN A 15 -2.748 6.691 7.012 1.00 0.00 H ATOM 125 N ARG A 16 -2.527 9.555 8.544 1.00 0.00 N ATOM 126 CA ARG A 16 -1.900 10.813 8.154 1.00 0.00 C ATOM 127 C ARG A 16 -1.471 10.766 6.687 1.00 0.00 C ATOM 128 O ARG A 16 -2.228 11.171 5.805 1.00 0.00 O ATOM 129 CB ARG A 16 -0.700 11.101 9.061 1.00 0.00 C ATOM 130 CG ARG A 16 -1.110 10.872 10.521 1.00 0.00 C ATOM 131 CD ARG A 16 -0.028 11.400 11.469 1.00 0.00 C ATOM 132 NE ARG A 16 1.075 10.450 11.559 1.00 0.00 N ATOM 133 CZ ARG A 16 0.925 9.278 12.168 1.00 0.00 C ATOM 134 NH1 ARG A 16 -0.223 8.961 12.701 1.00 0.00 N ATOM 135 NH2 ARG A 16 1.927 8.446 12.236 1.00 0.00 N ATOM 136 HE ARG A 16 1.995 10.694 11.139 1.00 0.00 H ATOM 137 HH12 ARG A 16 -0.340 8.044 13.177 1.00 0.00 H ATOM 138 HH11 ARG A 16 -1.021 9.625 12.650 1.00 0.00 H ATOM 139 HH22 ARG A 16 1.810 7.529 12.712 1.00 0.00 H ATOM 140 HH21 ARG A 16 2.843 8.700 11.814 1.00 0.00 H ATOM 141 H ARG A 16 -2.183 9.051 9.386 1.00 0.00 H ATOM 142 N LYS A 17 -0.267 10.261 6.422 1.00 0.00 N ATOM 143 CA LYS A 17 0.217 10.167 5.049 1.00 0.00 C ATOM 144 C LYS A 17 1.514 9.369 4.977 1.00 0.00 C ATOM 145 O LYS A 17 1.823 8.583 5.873 1.00 0.00 O ATOM 146 CB LYS A 17 0.428 11.565 4.453 1.00 0.00 C ATOM 147 CG LYS A 17 1.614 12.265 5.130 1.00 0.00 C ATOM 148 CD LYS A 17 1.712 13.713 4.619 1.00 0.00 C ATOM 149 CE LYS A 17 3.133 14.245 4.832 1.00 0.00 C ATOM 150 NZ LYS A 17 4.101 13.384 4.095 1.00 0.00 N ATOM 151 HZ1 LYS A 17 4.038 12.409 4.452 1.00 0.00 H ATOM 152 HZ2 LYS A 17 3.873 13.398 3.080 1.00 0.00 H ATOM 153 HZ3 LYS A 17 5.065 13.746 4.240 1.00 0.00 H ATOM 154 H LYS A 17 0.335 9.930 7.203 1.00 0.00 H ATOM 155 N ILE A 18 2.268 9.573 3.896 1.00 0.00 N ATOM 156 CA ILE A 18 3.535 8.867 3.693 1.00 0.00 C ATOM 157 C ILE A 18 4.568 9.832 3.079 1.00 0.00 C ATOM 158 O ILE A 18 4.238 10.559 2.142 1.00 0.00 O ATOM 159 CB ILE A 18 3.280 7.665 2.746 1.00 0.00 C ATOM 160 CG1 ILE A 18 2.728 6.463 3.550 1.00 0.00 C ATOM 161 CG2 ILE A 18 4.553 7.253 1.982 1.00 0.00 C ATOM 162 CD1 ILE A 18 3.863 5.654 4.201 1.00 0.00 C ATOM 163 H ILE A 18 1.947 10.253 3.177 1.00 0.00 H ATOM 164 N PRO A 19 5.800 9.867 3.560 1.00 0.00 N ATOM 165 CA PRO A 19 6.839 10.785 2.990 1.00 0.00 C ATOM 166 C PRO A 19 7.113 10.477 1.514 1.00 0.00 C ATOM 167 O PRO A 19 7.172 9.316 1.112 1.00 0.00 O ATOM 168 CB PRO A 19 8.078 10.534 3.872 1.00 0.00 C ATOM 169 CG PRO A 19 7.856 9.186 4.472 1.00 0.00 C ATOM 170 CD PRO A 19 6.354 9.067 4.675 1.00 0.00 C ATOM 171 N LEU A 20 7.256 11.531 0.713 1.00 0.00 N ATOM 172 CA LEU A 20 7.497 11.372 -0.721 1.00 0.00 C ATOM 173 C LEU A 20 8.910 10.849 -1.011 1.00 0.00 C ATOM 174 O LEU A 20 9.148 10.250 -2.059 1.00 0.00 O ATOM 175 CB LEU A 20 7.271 12.721 -1.437 1.00 0.00 C ATOM 176 CG LEU A 20 5.789 12.876 -1.804 1.00 0.00 C ATOM 177 CD1 LEU A 20 4.936 12.824 -0.537 1.00 0.00 C ATOM 178 CD2 LEU A 20 5.568 14.215 -2.512 1.00 0.00 C ATOM 179 H LEU A 20 7.195 12.488 1.116 1.00 0.00 H ATOM 180 N GLN A 21 9.846 11.090 -0.099 1.00 0.00 N ATOM 181 CA GLN A 21 11.226 10.645 -0.303 1.00 0.00 C ATOM 182 C GLN A 21 11.329 9.117 -0.344 1.00 0.00 C ATOM 183 O GLN A 21 12.053 8.561 -1.170 1.00 0.00 O ATOM 184 CB GLN A 21 12.129 11.196 0.810 1.00 0.00 C ATOM 185 CG GLN A 21 11.419 11.079 2.158 1.00 0.00 C ATOM 186 CD GLN A 21 12.403 11.361 3.289 1.00 0.00 C ATOM 187 OE1 GLN A 21 12.821 12.502 3.478 1.00 0.00 O ATOM 188 NE2 GLN A 21 12.797 10.382 4.057 1.00 0.00 N ATOM 189 HE22 GLN A 21 12.442 9.418 3.894 1.00 0.00 H ATOM 190 HE21 GLN A 21 13.466 10.566 4.831 1.00 0.00 H ATOM 191 H GLN A 21 9.595 11.601 0.771 1.00 0.00 H ATOM 192 N ARG A 22 10.620 8.445 0.556 1.00 0.00 N ATOM 193 CA ARG A 22 10.660 6.983 0.619 1.00 0.00 C ATOM 194 C ARG A 22 9.727 6.357 -0.420 1.00 0.00 C ATOM 195 O ARG A 22 10.111 5.432 -1.135 1.00 0.00 O ATOM 196 CB ARG A 22 10.261 6.529 2.028 1.00 0.00 C ATOM 197 CG ARG A 22 11.392 6.867 3.033 1.00 0.00 C ATOM 198 CD ARG A 22 10.802 7.309 4.381 1.00 0.00 C ATOM 199 NE ARG A 22 11.762 7.070 5.453 1.00 0.00 N ATOM 200 CZ ARG A 22 11.525 7.482 6.694 1.00 0.00 C ATOM 201 NH1 ARG A 22 10.419 8.117 6.971 1.00 0.00 N ATOM 202 NH2 ARG A 22 12.398 7.254 7.636 1.00 0.00 N ATOM 203 HE ARG A 22 12.648 6.568 5.242 1.00 0.00 H ATOM 204 HH12 ARG A 22 10.234 8.439 7.942 1.00 0.00 H ATOM 205 HH11 ARG A 22 9.723 8.301 6.220 1.00 0.00 H ATOM 206 HH22 ARG A 22 12.212 7.577 8.607 1.00 0.00 H ATOM 207 HH21 ARG A 22 13.280 6.749 7.416 1.00 0.00 H ATOM 208 H ARG A 22 10.025 8.968 1.229 1.00 0.00 H ATOM 209 N LEU A 23 8.505 6.872 -0.495 1.00 0.00 N ATOM 210 CA LEU A 23 7.511 6.371 -1.448 1.00 0.00 C ATOM 211 C LEU A 23 8.172 6.047 -2.793 1.00 0.00 C ATOM 212 O LEU A 23 8.931 6.851 -3.335 1.00 0.00 O ATOM 213 CB LEU A 23 6.402 7.443 -1.579 1.00 0.00 C ATOM 214 CG LEU A 23 5.650 7.407 -2.932 1.00 0.00 C ATOM 215 CD1 LEU A 23 6.522 7.978 -4.081 1.00 0.00 C ATOM 216 CD2 LEU A 23 5.160 5.977 -3.260 1.00 0.00 C ATOM 217 H LEU A 23 8.246 7.653 0.141 1.00 0.00 H ATOM 218 N GLU A 24 7.888 4.852 -3.320 1.00 0.00 N ATOM 219 CA GLU A 24 8.459 4.412 -4.600 1.00 0.00 C ATOM 220 C GLU A 24 7.412 4.490 -5.714 1.00 0.00 C ATOM 221 O GLU A 24 7.598 5.200 -6.703 1.00 0.00 O ATOM 222 CB GLU A 24 8.963 2.972 -4.469 1.00 0.00 C ATOM 223 CG GLU A 24 9.402 2.449 -5.840 1.00 0.00 C ATOM 224 CD GLU A 24 10.231 1.180 -5.673 1.00 0.00 C ATOM 225 OE1 GLU A 24 9.827 0.329 -4.898 1.00 0.00 O ATOM 226 OE2 GLU A 24 11.259 1.079 -6.323 1.00 0.00 O ATOM 227 H GLU A 24 7.244 4.215 -2.809 1.00 0.00 H ATOM 228 N SER A 25 6.312 3.757 -5.545 1.00 0.00 N ATOM 229 CA SER A 25 5.240 3.750 -6.540 1.00 0.00 C ATOM 230 C SER A 25 3.915 3.339 -5.896 1.00 0.00 C ATOM 231 O SER A 25 3.879 2.963 -4.724 1.00 0.00 O ATOM 232 CB SER A 25 5.583 2.777 -7.668 1.00 0.00 C ATOM 233 OG SER A 25 4.738 3.034 -8.783 1.00 0.00 O ATOM 234 HG SER A 25 4.959 2.405 -9.515 1.00 0.00 H ATOM 235 H SER A 25 6.214 3.177 -4.687 1.00 0.00 H ATOM 236 N TYR A 26 2.824 3.414 -6.669 1.00 0.00 N ATOM 237 CA TYR A 26 1.494 3.046 -6.161 1.00 0.00 C ATOM 238 C TYR A 26 0.934 1.842 -6.924 1.00 0.00 C ATOM 239 O TYR A 26 1.384 1.529 -8.026 1.00 0.00 O ATOM 240 CB TYR A 26 0.531 4.236 -6.287 1.00 0.00 C ATOM 241 CG TYR A 26 0.164 4.461 -7.735 1.00 0.00 C ATOM 242 CD1 TYR A 26 1.020 5.191 -8.568 1.00 0.00 C ATOM 243 CD2 TYR A 26 -1.033 3.940 -8.242 1.00 0.00 C ATOM 244 CE1 TYR A 26 0.680 5.402 -9.908 1.00 0.00 C ATOM 245 CE2 TYR A 26 -1.372 4.150 -9.584 1.00 0.00 C ATOM 246 CZ TYR A 26 -0.516 4.881 -10.417 1.00 0.00 C ATOM 247 OH TYR A 26 -0.852 5.088 -11.740 1.00 0.00 O ATOM 248 HH TYR A 26 -0.142 5.619 -12.180 1.00 0.00 H ATOM 249 H TYR A 26 2.920 3.740 -7.652 1.00 0.00 H ATOM 250 N ARG A 27 -0.051 1.174 -6.324 1.00 0.00 N ATOM 251 CA ARG A 27 -0.672 0.006 -6.948 1.00 0.00 C ATOM 252 C ARG A 27 -2.084 -0.197 -6.403 1.00 0.00 C ATOM 253 O ARG A 27 -2.338 0.019 -5.220 1.00 0.00 O ATOM 254 CB ARG A 27 0.180 -1.245 -6.677 1.00 0.00 C ATOM 255 CG ARG A 27 -0.380 -2.470 -7.446 1.00 0.00 C ATOM 256 CD ARG A 27 -1.218 -3.358 -6.514 1.00 0.00 C ATOM 257 NE ARG A 27 -1.925 -4.373 -7.286 1.00 0.00 N ATOM 258 CZ ARG A 27 -2.438 -5.450 -6.700 1.00 0.00 C ATOM 259 NH1 ARG A 27 -2.314 -5.612 -5.410 1.00 0.00 N ATOM 260 NH2 ARG A 27 -3.065 -6.345 -7.413 1.00 0.00 N ATOM 261 HE ARG A 27 -2.030 -4.252 -8.314 1.00 0.00 H ATOM 262 HH12 ARG A 27 -2.715 -6.454 -4.951 1.00 0.00 H ATOM 263 HH11 ARG A 27 -1.814 -4.899 -4.842 1.00 0.00 H ATOM 264 HH22 ARG A 27 -3.466 -7.188 -6.954 1.00 0.00 H ATOM 265 HH21 ARG A 27 -3.163 -6.216 -8.440 1.00 0.00 H ATOM 266 H ARG A 27 -0.385 1.490 -5.391 1.00 0.00 H ATOM 267 N ARG A 28 -3.007 -0.600 -7.277 1.00 0.00 N ATOM 268 CA ARG A 28 -4.401 -0.814 -6.876 1.00 0.00 C ATOM 269 C ARG A 28 -4.642 -2.268 -6.464 1.00 0.00 C ATOM 270 O ARG A 28 -4.019 -3.187 -6.995 1.00 0.00 O ATOM 271 CB ARG A 28 -5.332 -0.425 -8.047 1.00 0.00 C ATOM 272 CG ARG A 28 -6.582 0.296 -7.523 1.00 0.00 C ATOM 273 CD ARG A 28 -7.641 0.357 -8.626 1.00 0.00 C ATOM 274 NE ARG A 28 -7.042 0.817 -9.874 1.00 0.00 N ATOM 275 CZ ARG A 28 -6.668 2.083 -10.031 1.00 0.00 C ATOM 276 NH1 ARG A 28 -6.833 2.937 -9.058 1.00 0.00 N ATOM 277 NH2 ARG A 28 -6.135 2.472 -11.157 1.00 0.00 N ATOM 278 HE ARG A 28 -6.905 0.143 -10.654 1.00 0.00 H ATOM 279 HH12 ARG A 28 -6.541 3.928 -9.180 1.00 0.00 H ATOM 280 HH11 ARG A 28 -7.257 2.627 -8.160 1.00 0.00 H ATOM 281 HH22 ARG A 28 -5.843 3.463 -11.279 1.00 0.00 H ATOM 282 HH21 ARG A 28 -6.003 1.791 -11.932 1.00 0.00 H ATOM 283 H ARG A 28 -2.732 -0.766 -8.266 1.00 0.00 H ATOM 284 N ILE A 29 -5.561 -2.462 -5.513 1.00 0.00 N ATOM 285 CA ILE A 29 -5.905 -3.805 -5.023 1.00 0.00 C ATOM 286 C ILE A 29 -7.309 -4.184 -5.503 1.00 0.00 C ATOM 287 O ILE A 29 -8.300 -3.909 -4.826 1.00 0.00 O ATOM 288 CB ILE A 29 -5.841 -3.856 -3.464 1.00 0.00 C ATOM 289 CG1 ILE A 29 -5.634 -2.436 -2.913 1.00 0.00 C ATOM 290 CG2 ILE A 29 -4.688 -4.762 -3.007 1.00 0.00 C ATOM 291 CD1 ILE A 29 -5.709 -2.423 -1.379 1.00 0.00 C ATOM 292 H ILE A 29 -6.048 -1.638 -5.107 1.00 0.00 H ATOM 293 N THR A 30 -7.384 -4.816 -6.670 1.00 0.00 N ATOM 294 CA THR A 30 -8.671 -5.231 -7.232 1.00 0.00 C ATOM 295 C THR A 30 -8.927 -6.706 -6.944 1.00 0.00 C ATOM 296 O THR A 30 -8.579 -7.208 -5.875 1.00 0.00 O ATOM 297 CB THR A 30 -8.676 -4.990 -8.743 1.00 0.00 C ATOM 298 OG1 THR A 30 -7.743 -5.865 -9.364 1.00 0.00 O ATOM 299 CG2 THR A 30 -8.289 -3.537 -9.032 1.00 0.00 C ATOM 300 HG1 THR A 30 -7.998 -6.803 -9.177 1.00 0.00 H ATOM 301 H THR A 30 -6.510 -5.020 -7.195 1.00 0.00 H ATOM 302 N SER A 31 -9.537 -7.396 -7.902 1.00 0.00 N ATOM 303 CA SER A 31 -9.836 -8.814 -7.737 1.00 0.00 C ATOM 304 C SER A 31 -10.799 -9.027 -6.572 1.00 0.00 C ATOM 305 O SER A 31 -11.966 -9.361 -6.774 1.00 0.00 O ATOM 306 CB SER A 31 -8.545 -9.595 -7.487 1.00 0.00 C ATOM 307 OG SER A 31 -7.529 -9.114 -8.356 1.00 0.00 O ATOM 308 HG SER A 31 -6.693 -9.619 -8.195 1.00 0.00 H ATOM 309 H SER A 31 -9.806 -6.917 -8.785 1.00 0.00 H ATOM 310 N GLY A 32 -10.303 -8.831 -5.355 1.00 0.00 N ATOM 311 CA GLY A 32 -11.131 -9.004 -4.167 1.00 0.00 C ATOM 312 C GLY A 32 -10.310 -8.828 -2.894 1.00 0.00 C ATOM 313 O GLY A 32 -10.859 -8.600 -1.817 1.00 0.00 O ATOM 314 H GLY A 32 -9.308 -8.549 -5.248 1.00 0.00 H ATOM 315 N LYS A 33 -8.991 -8.935 -3.026 1.00 0.00 N ATOM 316 CA LYS A 33 -8.104 -8.787 -1.877 1.00 0.00 C ATOM 317 C LYS A 33 -8.156 -7.359 -1.338 1.00 0.00 C ATOM 318 O LYS A 33 -8.307 -6.405 -2.101 1.00 0.00 O ATOM 319 CB LYS A 33 -6.669 -9.134 -2.277 1.00 0.00 C ATOM 320 CG LYS A 33 -6.321 -8.441 -3.596 1.00 0.00 C ATOM 321 CD LYS A 33 -4.824 -8.588 -3.870 1.00 0.00 C ATOM 322 CE LYS A 33 -4.504 -8.044 -5.264 1.00 0.00 C ATOM 323 NZ LYS A 33 -5.269 -8.814 -6.286 1.00 0.00 N ATOM 324 HZ1 LYS A 33 -5.001 -9.817 -6.235 1.00 0.00 H ATOM 325 HZ2 LYS A 33 -6.288 -8.717 -6.101 1.00 0.00 H ATOM 326 HZ3 LYS A 33 -5.051 -8.443 -7.233 1.00 0.00 H ATOM 327 H LYS A 33 -8.585 -9.127 -3.964 1.00 0.00 H ATOM 328 N CYS A 34 -8.032 -7.229 -0.018 1.00 0.00 N ATOM 329 CA CYS A 34 -8.066 -5.920 0.633 1.00 0.00 C ATOM 330 C CYS A 34 -9.377 -5.191 0.306 1.00 0.00 C ATOM 331 O CYS A 34 -9.949 -5.395 -0.765 1.00 0.00 O ATOM 332 CB CYS A 34 -6.869 -5.080 0.176 1.00 0.00 C ATOM 333 SG CYS A 34 -5.337 -5.835 0.779 1.00 0.00 S ATOM 334 H CYS A 34 -7.908 -8.081 0.565 1.00 0.00 H ATOM 335 N PRO A 35 -9.874 -4.358 1.195 1.00 0.00 N ATOM 336 CA PRO A 35 -11.152 -3.613 0.966 1.00 0.00 C ATOM 337 C PRO A 35 -10.997 -2.440 0.003 1.00 0.00 C ATOM 338 O PRO A 35 -10.028 -1.683 0.068 1.00 0.00 O ATOM 339 CB PRO A 35 -11.527 -3.133 2.372 1.00 0.00 C ATOM 340 CG PRO A 35 -10.216 -2.927 3.052 1.00 0.00 C ATOM 341 CD PRO A 35 -9.294 -4.028 2.517 1.00 0.00 C ATOM 342 N GLN A 36 -11.985 -2.292 -0.874 1.00 0.00 N ATOM 343 CA GLN A 36 -11.998 -1.204 -1.843 1.00 0.00 C ATOM 344 C GLN A 36 -10.801 -1.262 -2.786 1.00 0.00 C ATOM 345 O GLN A 36 -9.713 -1.698 -2.408 1.00 0.00 O ATOM 346 CB GLN A 36 -11.972 0.141 -1.116 1.00 0.00 C ATOM 347 CG GLN A 36 -12.976 0.144 0.035 1.00 0.00 C ATOM 348 CD GLN A 36 -14.389 -0.051 -0.501 1.00 0.00 C ATOM 349 OE1 GLN A 36 -14.838 0.705 -1.364 1.00 0.00 O ATOM 350 NE2 GLN A 36 -15.122 -1.028 -0.040 1.00 0.00 N ATOM 351 HE22 GLN A 36 -14.741 -1.665 0.688 1.00 0.00 H ATOM 352 HE21 GLN A 36 -16.087 -1.169 -0.401 1.00 0.00 H ATOM 353 H GLN A 36 -12.771 -2.973 -0.868 1.00 0.00 H ATOM 354 N LYS A 37 -11.007 -0.771 -4.006 1.00 0.00 N ATOM 355 CA LYS A 37 -9.937 -0.716 -4.993 1.00 0.00 C ATOM 356 C LYS A 37 -9.075 0.501 -4.688 1.00 0.00 C ATOM 357 O LYS A 37 -9.074 1.482 -5.431 1.00 0.00 O ATOM 358 CB LYS A 37 -10.526 -0.599 -6.402 1.00 0.00 C ATOM 359 CG LYS A 37 -11.375 -1.838 -6.710 1.00 0.00 C ATOM 360 CD LYS A 37 -12.300 -1.549 -7.897 1.00 0.00 C ATOM 361 CE LYS A 37 -11.478 -1.042 -9.084 1.00 0.00 C ATOM 362 NZ LYS A 37 -11.119 0.389 -8.867 1.00 0.00 N ATOM 363 HZ1 LYS A 37 -11.988 0.954 -8.780 1.00 0.00 H ATOM 364 HZ2 LYS A 37 -10.559 0.476 -7.995 1.00 0.00 H ATOM 365 HZ3 LYS A 37 -10.561 0.731 -9.675 1.00 0.00 H ATOM 366 H LYS A 37 -11.952 -0.419 -4.260 1.00 0.00 H ATOM 367 N ALA A 38 -8.377 0.437 -3.560 1.00 0.00 N ATOM 368 CA ALA A 38 -7.540 1.544 -3.106 1.00 0.00 C ATOM 369 C ALA A 38 -6.101 1.395 -3.602 1.00 0.00 C ATOM 370 O ALA A 38 -5.630 0.291 -3.857 1.00 0.00 O ATOM 371 CB ALA A 38 -7.568 1.577 -1.571 1.00 0.00 C ATOM 372 H ALA A 38 -8.428 -0.427 -2.983 1.00 0.00 H ATOM 373 N VAL A 39 -5.403 2.523 -3.736 1.00 0.00 N ATOM 374 CA VAL A 39 -4.019 2.497 -4.198 1.00 0.00 C ATOM 375 C VAL A 39 -3.090 2.136 -3.044 1.00 0.00 C ATOM 376 O VAL A 39 -3.403 2.395 -1.883 1.00 0.00 O ATOM 377 CB VAL A 39 -3.633 3.855 -4.791 1.00 0.00 C ATOM 378 CG1 VAL A 39 -4.690 4.280 -5.817 1.00 0.00 C ATOM 379 CG2 VAL A 39 -3.549 4.903 -3.680 1.00 0.00 C ATOM 380 H VAL A 39 -5.851 3.434 -3.508 1.00 0.00 H ATOM 381 N ILE A 40 -1.956 1.510 -3.368 1.00 0.00 N ATOM 382 CA ILE A 40 -0.994 1.085 -2.346 1.00 0.00 C ATOM 383 C ILE A 40 0.378 1.710 -2.576 1.00 0.00 C ATOM 384 O ILE A 40 1.135 1.255 -3.430 1.00 0.00 O ATOM 385 CB ILE A 40 -0.862 -0.445 -2.385 1.00 0.00 C ATOM 386 CG1 ILE A 40 -2.176 -1.074 -1.916 1.00 0.00 C ATOM 387 CG2 ILE A 40 0.284 -0.906 -1.473 1.00 0.00 C ATOM 388 CD1 ILE A 40 -2.143 -2.580 -2.175 1.00 0.00 C ATOM 389 H ILE A 40 -1.750 1.319 -4.369 1.00 0.00 H ATOM 390 N PHE A 41 0.711 2.728 -1.785 1.00 0.00 N ATOM 391 CA PHE A 41 2.016 3.367 -1.907 1.00 0.00 C ATOM 392 C PHE A 41 3.065 2.512 -1.207 1.00 0.00 C ATOM 393 O PHE A 41 2.979 2.276 -0.002 1.00 0.00 O ATOM 394 CB PHE A 41 1.997 4.761 -1.279 1.00 0.00 C ATOM 395 CG PHE A 41 0.898 5.585 -1.906 1.00 0.00 C ATOM 396 CD1 PHE A 41 1.009 6.009 -3.237 1.00 0.00 C ATOM 397 CD2 PHE A 41 -0.225 5.937 -1.153 1.00 0.00 C ATOM 398 CE1 PHE A 41 -0.006 6.783 -3.813 1.00 0.00 C ATOM 399 CE2 PHE A 41 -1.235 6.710 -1.725 1.00 0.00 C ATOM 400 CZ PHE A 41 -1.128 7.134 -3.055 1.00 0.00 C ATOM 401 H PHE A 41 0.034 3.071 -1.074 1.00 0.00 H ATOM 402 N LYS A 42 4.051 2.047 -1.967 1.00 0.00 N ATOM 403 CA LYS A 42 5.114 1.211 -1.409 1.00 0.00 C ATOM 404 C LYS A 42 6.375 2.036 -1.185 1.00 0.00 C ATOM 405 O LYS A 42 6.667 2.962 -1.941 1.00 0.00 O ATOM 406 CB LYS A 42 5.413 0.048 -2.359 1.00 0.00 C ATOM 407 CG LYS A 42 5.439 0.559 -3.800 1.00 0.00 C ATOM 408 CD LYS A 42 6.086 -0.495 -4.703 1.00 0.00 C ATOM 409 CE LYS A 42 5.341 -1.822 -4.555 1.00 0.00 C ATOM 410 NZ LYS A 42 3.872 -1.568 -4.532 1.00 0.00 N ATOM 411 HZ1 LYS A 42 3.641 -0.949 -3.729 1.00 0.00 H ATOM 412 HZ2 LYS A 42 3.587 -1.107 -5.420 1.00 0.00 H ATOM 413 HZ3 LYS A 42 3.367 -2.471 -4.431 1.00 0.00 H ATOM 414 H LYS A 42 4.067 2.282 -2.980 1.00 0.00 H ATOM 415 N THR A 43 7.117 1.693 -0.136 1.00 0.00 N ATOM 416 CA THR A 43 8.351 2.405 0.195 1.00 0.00 C ATOM 417 C THR A 43 9.372 1.430 0.776 1.00 0.00 C ATOM 418 O THR A 43 9.094 0.241 0.928 1.00 0.00 O ATOM 419 CB THR A 43 8.070 3.544 1.209 1.00 0.00 C ATOM 420 OG1 THR A 43 8.951 3.425 2.318 1.00 0.00 O ATOM 421 CG2 THR A 43 6.621 3.470 1.711 1.00 0.00 C ATOM 422 HG1 THR A 43 8.768 4.154 2.963 1.00 0.00 H ATOM 423 H THR A 43 6.813 0.899 0.463 1.00 0.00 H ATOM 424 N LYS A 44 10.553 1.945 1.102 1.00 0.00 N ATOM 425 CA LYS A 44 11.609 1.115 1.667 1.00 0.00 C ATOM 426 C LYS A 44 11.345 0.865 3.152 1.00 0.00 C ATOM 427 O LYS A 44 12.191 0.319 3.860 1.00 0.00 O ATOM 428 CB LYS A 44 12.969 1.807 1.480 1.00 0.00 C ATOM 429 CG LYS A 44 14.099 0.769 1.506 1.00 0.00 C ATOM 430 CD LYS A 44 15.442 1.480 1.691 1.00 0.00 C ATOM 431 CE LYS A 44 15.614 2.538 0.600 1.00 0.00 C ATOM 432 NZ LYS A 44 15.148 1.988 -0.704 1.00 0.00 N ATOM 433 HZ1 LYS A 44 15.710 1.147 -0.945 1.00 0.00 H ATOM 434 HZ2 LYS A 44 14.144 1.726 -0.630 1.00 0.00 H ATOM 435 HZ3 LYS A 44 15.266 2.709 -1.445 1.00 0.00 H ATOM 436 H LYS A 44 10.727 2.959 0.951 1.00 0.00 H ATOM 437 N LEU A 45 10.165 1.267 3.617 1.00 0.00 N ATOM 438 CA LEU A 45 9.810 1.079 5.019 1.00 0.00 C ATOM 439 C LEU A 45 10.026 -0.385 5.417 1.00 0.00 C ATOM 440 O LEU A 45 11.101 -0.753 5.888 1.00 0.00 O ATOM 441 CB LEU A 45 8.331 1.503 5.252 1.00 0.00 C ATOM 442 CG LEU A 45 8.227 2.878 5.955 1.00 0.00 C ATOM 443 CD1 LEU A 45 8.961 2.863 7.315 1.00 0.00 C ATOM 444 CD2 LEU A 45 8.801 3.979 5.046 1.00 0.00 C ATOM 445 H LEU A 45 9.487 1.721 2.972 1.00 0.00 H ATOM 446 N ALA A 46 8.999 -1.209 5.225 1.00 0.00 N ATOM 447 CA ALA A 46 9.091 -2.624 5.572 1.00 0.00 C ATOM 448 C ALA A 46 7.774 -3.337 5.273 1.00 0.00 C ATOM 449 O ALA A 46 7.670 -4.554 5.427 1.00 0.00 O ATOM 450 CB ALA A 46 9.427 -2.774 7.060 1.00 0.00 C ATOM 451 H ALA A 46 8.115 -0.838 4.821 1.00 0.00 H ATOM 452 N LYS A 47 6.766 -2.573 4.859 1.00 0.00 N ATOM 453 CA LYS A 47 5.457 -3.148 4.558 1.00 0.00 C ATOM 454 C LYS A 47 4.681 -2.253 3.587 1.00 0.00 C ATOM 455 O LYS A 47 5.107 -1.142 3.271 1.00 0.00 O ATOM 456 CB LYS A 47 4.652 -3.351 5.866 1.00 0.00 C ATOM 457 CG LYS A 47 5.118 -2.364 6.951 1.00 0.00 C ATOM 458 CD LYS A 47 4.890 -0.919 6.493 1.00 0.00 C ATOM 459 CE LYS A 47 5.410 0.040 7.565 1.00 0.00 C ATOM 460 NZ LYS A 47 6.811 -0.325 7.921 1.00 0.00 N ATOM 461 HZ1 LYS A 47 6.832 -1.299 8.286 1.00 0.00 H ATOM 462 HZ2 LYS A 47 7.411 -0.258 7.074 1.00 0.00 H ATOM 463 HZ3 LYS A 47 7.163 0.328 8.650 1.00 0.00 H ATOM 464 H LYS A 47 6.913 -1.549 4.748 1.00 0.00 H ATOM 465 N ASP A 48 3.541 -2.756 3.117 1.00 0.00 N ATOM 466 CA ASP A 48 2.702 -2.010 2.180 1.00 0.00 C ATOM 467 C ASP A 48 1.738 -1.093 2.931 1.00 0.00 C ATOM 468 O ASP A 48 1.333 -1.390 4.055 1.00 0.00 O ATOM 469 CB ASP A 48 1.905 -2.985 1.311 1.00 0.00 C ATOM 470 CG ASP A 48 1.261 -4.056 2.185 1.00 0.00 C ATOM 471 OD1 ASP A 48 1.994 -4.780 2.838 1.00 0.00 O ATOM 472 OD2 ASP A 48 0.043 -4.135 2.189 1.00 0.00 O ATOM 473 H ASP A 48 3.240 -3.703 3.424 1.00 0.00 H ATOM 474 N ILE A 49 1.377 0.024 2.299 1.00 0.00 N ATOM 475 CA ILE A 49 0.459 0.998 2.901 1.00 0.00 C ATOM 476 C ILE A 49 -0.819 1.102 2.069 1.00 0.00 C ATOM 477 O ILE A 49 -0.759 1.204 0.850 1.00 0.00 O ATOM 478 CB ILE A 49 1.138 2.373 2.962 1.00 0.00 C ATOM 479 CG1 ILE A 49 2.599 2.226 3.425 1.00 0.00 C ATOM 480 CG2 ILE A 49 0.374 3.289 3.922 1.00 0.00 C ATOM 481 CD1 ILE A 49 2.671 1.626 4.838 1.00 0.00 C ATOM 482 H ILE A 49 1.758 0.211 1.350 1.00 0.00 H ATOM 483 N CYS A 50 -1.973 1.083 2.734 1.00 0.00 N ATOM 484 CA CYS A 50 -3.263 1.176 2.038 1.00 0.00 C ATOM 485 C CYS A 50 -3.818 2.597 2.130 1.00 0.00 C ATOM 486 O CYS A 50 -3.652 3.269 3.148 1.00 0.00 O ATOM 487 CB CYS A 50 -4.256 0.200 2.669 1.00 0.00 C ATOM 488 SG CYS A 50 -3.539 -1.464 2.678 1.00 0.00 S ATOM 489 H CYS A 50 -1.960 1.000 3.771 1.00 0.00 H ATOM 490 N ALA A 51 -4.470 3.053 1.061 1.00 0.00 N ATOM 491 CA ALA A 51 -5.032 4.403 1.045 1.00 0.00 C ATOM 492 C ALA A 51 -6.048 4.560 -0.095 1.00 0.00 C ATOM 493 O ALA A 51 -5.763 4.229 -1.243 1.00 0.00 O ATOM 494 CB ALA A 51 -3.895 5.425 0.898 1.00 0.00 C ATOM 495 H ALA A 51 -4.581 2.441 0.227 1.00 0.00 H ATOM 496 N ASP A 52 -7.236 5.058 0.244 1.00 0.00 N ATOM 497 CA ASP A 52 -8.306 5.244 -0.741 1.00 0.00 C ATOM 498 C ASP A 52 -8.126 6.558 -1.528 1.00 0.00 C ATOM 499 O ASP A 52 -7.773 7.580 -0.939 1.00 0.00 O ATOM 500 CB ASP A 52 -9.648 5.273 0.000 1.00 0.00 C ATOM 501 CG ASP A 52 -10.800 4.992 -0.957 1.00 0.00 C ATOM 502 OD1 ASP A 52 -10.851 3.894 -1.486 1.00 0.00 O ATOM 503 OD2 ASP A 52 -11.616 5.878 -1.147 1.00 0.00 O ATOM 504 H ASP A 52 -7.409 5.322 1.235 1.00 0.00 H ATOM 505 N PRO A 53 -8.369 6.574 -2.834 1.00 0.00 N ATOM 506 CA PRO A 53 -8.230 7.820 -3.658 1.00 0.00 C ATOM 507 C PRO A 53 -9.244 8.895 -3.262 1.00 0.00 C ATOM 508 O PRO A 53 -10.108 9.277 -4.051 1.00 0.00 O ATOM 509 CB PRO A 53 -8.437 7.336 -5.106 1.00 0.00 C ATOM 510 CG PRO A 53 -9.233 6.080 -4.982 1.00 0.00 C ATOM 511 CD PRO A 53 -8.787 5.428 -3.673 1.00 0.00 C ATOM 512 N LYS A 54 -9.114 9.388 -2.032 1.00 0.00 N ATOM 513 CA LYS A 54 -9.999 10.434 -1.517 1.00 0.00 C ATOM 514 C LYS A 54 -9.177 11.455 -0.739 1.00 0.00 C ATOM 515 O LYS A 54 -9.202 12.650 -1.035 1.00 0.00 O ATOM 516 CB LYS A 54 -11.063 9.832 -0.589 1.00 0.00 C ATOM 517 CG LYS A 54 -11.908 8.790 -1.338 1.00 0.00 C ATOM 518 CD LYS A 54 -12.828 9.477 -2.357 1.00 0.00 C ATOM 519 CE LYS A 54 -13.946 8.515 -2.768 1.00 0.00 C ATOM 520 NZ LYS A 54 -14.878 9.206 -3.703 1.00 0.00 N ATOM 521 HZ1 LYS A 54 -15.290 10.035 -3.230 1.00 0.00 H ATOM 522 HZ2 LYS A 54 -14.355 9.512 -4.548 1.00 0.00 H ATOM 523 HZ3 LYS A 54 -15.637 8.551 -3.981 1.00 0.00 H ATOM 524 H LYS A 54 -8.360 9.018 -1.418 1.00 0.00 H ATOM 525 N LYS A 55 -8.439 10.967 0.253 1.00 0.00 N ATOM 526 CA LYS A 55 -7.597 11.836 1.071 1.00 0.00 C ATOM 527 C LYS A 55 -6.621 12.592 0.162 1.00 0.00 C ATOM 528 O LYS A 55 -6.249 12.104 -0.902 1.00 0.00 O ATOM 529 CB LYS A 55 -6.844 11.007 2.149 1.00 0.00 C ATOM 530 CG LYS A 55 -7.291 9.537 2.078 1.00 0.00 C ATOM 531 CD LYS A 55 -6.583 8.704 3.160 1.00 0.00 C ATOM 532 CE LYS A 55 -7.342 8.802 4.487 1.00 0.00 C ATOM 533 NZ LYS A 55 -8.747 8.342 4.295 1.00 0.00 N ATOM 534 HZ1 LYS A 55 -9.213 8.942 3.585 1.00 0.00 H ATOM 535 HZ2 LYS A 55 -8.746 7.354 3.969 1.00 0.00 H ATOM 536 HZ3 LYS A 55 -9.259 8.410 5.198 1.00 0.00 H ATOM 537 H LYS A 55 -8.462 9.946 0.451 1.00 0.00 H ATOM 538 N LYS A 56 -6.250 13.799 0.572 1.00 0.00 N ATOM 539 CA LYS A 56 -5.361 14.641 -0.229 1.00 0.00 C ATOM 540 C LYS A 56 -4.008 13.989 -0.531 1.00 0.00 C ATOM 541 O LYS A 56 -3.622 13.879 -1.694 1.00 0.00 O ATOM 542 CB LYS A 56 -5.129 15.971 0.493 1.00 0.00 C ATOM 543 CG LYS A 56 -4.544 16.995 -0.485 1.00 0.00 C ATOM 544 CD LYS A 56 -3.970 18.180 0.295 1.00 0.00 C ATOM 545 CE LYS A 56 -5.097 18.908 1.031 1.00 0.00 C ATOM 546 NZ LYS A 56 -4.621 20.253 1.462 1.00 0.00 N ATOM 547 HZ1 LYS A 56 -3.805 20.143 2.098 1.00 0.00 H ATOM 548 HZ2 LYS A 56 -4.339 20.804 0.626 1.00 0.00 H ATOM 549 HZ3 LYS A 56 -5.388 20.747 1.962 1.00 0.00 H ATOM 550 H LYS A 56 -6.600 14.155 1.485 1.00 0.00 H ATOM 551 N TRP A 57 -3.269 13.597 0.504 1.00 0.00 N ATOM 552 CA TRP A 57 -1.945 13.011 0.286 1.00 0.00 C ATOM 553 C TRP A 57 -2.003 11.801 -0.641 1.00 0.00 C ATOM 554 O TRP A 57 -0.998 11.434 -1.249 1.00 0.00 O ATOM 555 CB TRP A 57 -1.296 12.621 1.621 1.00 0.00 C ATOM 556 CG TRP A 57 -1.913 11.371 2.166 1.00 0.00 C ATOM 557 CD1 TRP A 57 -3.015 11.330 2.948 1.00 0.00 C ATOM 558 CD2 TRP A 57 -1.479 9.988 1.995 1.00 0.00 C ATOM 559 NE1 TRP A 57 -3.285 10.013 3.270 1.00 0.00 N ATOM 560 CE2 TRP A 57 -2.369 9.148 2.704 1.00 0.00 C ATOM 561 CE3 TRP A 57 -0.410 9.386 1.301 1.00 0.00 C ATOM 562 CZ2 TRP A 57 -2.207 7.762 2.726 1.00 0.00 C ATOM 563 CZ3 TRP A 57 -0.246 7.992 1.321 1.00 0.00 C ATOM 564 CH2 TRP A 57 -1.142 7.181 2.032 1.00 0.00 C ATOM 565 HE1 TRP A 57 -4.081 9.710 3.866 1.00 0.00 H ATOM 566 H TRP A 57 -3.633 13.707 1.472 1.00 0.00 H ATOM 567 N VAL A 58 -3.172 11.183 -0.757 1.00 0.00 N ATOM 568 CA VAL A 58 -3.307 10.024 -1.629 1.00 0.00 C ATOM 569 C VAL A 58 -3.306 10.460 -3.088 1.00 0.00 C ATOM 570 O VAL A 58 -2.515 9.966 -3.886 1.00 0.00 O ATOM 571 CB VAL A 58 -4.600 9.263 -1.311 1.00 0.00 C ATOM 572 CG1 VAL A 58 -4.812 8.136 -2.328 1.00 0.00 C ATOM 573 CG2 VAL A 58 -4.504 8.660 0.093 1.00 0.00 C ATOM 574 H VAL A 58 -3.995 11.528 -0.223 1.00 0.00 H ATOM 575 N GLN A 59 -4.194 11.385 -3.435 1.00 0.00 N ATOM 576 CA GLN A 59 -4.271 11.864 -4.809 1.00 0.00 C ATOM 577 C GLN A 59 -3.021 12.668 -5.169 1.00 0.00 C ATOM 578 O GLN A 59 -2.571 12.657 -6.314 1.00 0.00 O ATOM 579 CB GLN A 59 -5.535 12.727 -5.007 1.00 0.00 C ATOM 580 CG GLN A 59 -6.656 12.254 -4.062 1.00 0.00 C ATOM 581 CD GLN A 59 -8.026 12.585 -4.652 1.00 0.00 C ATOM 582 OE1 GLN A 59 -8.501 11.888 -5.549 1.00 0.00 O ATOM 583 NE2 GLN A 59 -8.692 13.612 -4.199 1.00 0.00 N ATOM 584 HE22 GLN A 59 -8.289 14.200 -3.441 1.00 0.00 H ATOM 585 HE21 GLN A 59 -9.625 13.843 -4.596 1.00 0.00 H ATOM 586 H GLN A 59 -4.841 11.771 -2.718 1.00 0.00 H ATOM 587 N ASP A 60 -2.476 13.371 -4.182 1.00 0.00 N ATOM 588 CA ASP A 60 -1.286 14.190 -4.399 1.00 0.00 C ATOM 589 C ASP A 60 -0.029 13.329 -4.529 1.00 0.00 C ATOM 590 O ASP A 60 0.912 13.695 -5.232 1.00 0.00 O ATOM 591 CB ASP A 60 -1.113 15.168 -3.231 1.00 0.00 C ATOM 592 CG ASP A 60 -0.175 16.303 -3.629 1.00 0.00 C ATOM 593 OD1 ASP A 60 -0.550 17.078 -4.494 1.00 0.00 O ATOM 594 OD2 ASP A 60 0.902 16.382 -3.063 1.00 0.00 O ATOM 595 H ASP A 60 -2.905 13.337 -3.235 1.00 0.00 H ATOM 596 N SER A 61 -0.012 12.194 -3.837 1.00 0.00 N ATOM 597 CA SER A 61 1.148 11.307 -3.875 1.00 0.00 C ATOM 598 C SER A 61 1.366 10.733 -5.276 1.00 0.00 C ATOM 599 O SER A 61 2.471 10.805 -5.814 1.00 0.00 O ATOM 600 CB SER A 61 0.959 10.163 -2.876 1.00 0.00 C ATOM 601 OG SER A 61 -0.351 9.635 -3.010 1.00 0.00 O ATOM 602 HG SER A 61 -1.013 10.348 -2.827 1.00 0.00 H ATOM 603 H SER A 61 -0.837 11.934 -3.260 1.00 0.00 H ATOM 604 N MET A 62 0.318 10.159 -5.860 1.00 0.00 N ATOM 605 CA MET A 62 0.435 9.577 -7.196 1.00 0.00 C ATOM 606 C MET A 62 0.600 10.670 -8.247 1.00 0.00 C ATOM 607 O MET A 62 1.285 10.477 -9.251 1.00 0.00 O ATOM 608 CB MET A 62 -0.798 8.728 -7.520 1.00 0.00 C ATOM 609 CG MET A 62 -2.064 9.523 -7.212 1.00 0.00 C ATOM 610 SD MET A 62 -3.501 8.674 -7.916 1.00 0.00 S ATOM 611 CE MET A 62 -4.041 7.832 -6.407 1.00 0.00 C ATOM 612 H MET A 62 -0.594 10.124 -5.361 1.00 0.00 H ATOM 613 N LYS A 63 -0.024 11.820 -8.008 1.00 0.00 N ATOM 614 CA LYS A 63 0.075 12.934 -8.943 1.00 0.00 C ATOM 615 C LYS A 63 1.526 13.383 -9.048 1.00 0.00 C ATOM 616 O LYS A 63 1.980 13.836 -10.100 1.00 0.00 O ATOM 617 CB LYS A 63 -0.805 14.096 -8.462 1.00 0.00 C ATOM 618 CG LYS A 63 -0.605 15.332 -9.355 1.00 0.00 C ATOM 619 CD LYS A 63 -0.855 14.968 -10.827 1.00 0.00 C ATOM 620 CE LYS A 63 -1.169 16.235 -11.628 1.00 0.00 C ATOM 621 NZ LYS A 63 -2.391 16.883 -11.073 1.00 0.00 N ATOM 622 HZ1 LYS A 63 -3.192 16.223 -11.139 1.00 0.00 H ATOM 623 HZ2 LYS A 63 -2.227 17.133 -10.077 1.00 0.00 H ATOM 624 HZ3 LYS A 63 -2.603 17.743 -11.617 1.00 0.00 H ATOM 625 H LYS A 63 -0.590 11.926 -7.142 1.00 0.00 H ATOM 626 N TYR A 64 2.249 13.242 -7.944 1.00 0.00 N ATOM 627 CA TYR A 64 3.653 13.621 -7.900 1.00 0.00 C ATOM 628 C TYR A 64 4.486 12.582 -8.659 1.00 0.00 C ATOM 629 O TYR A 64 5.501 12.912 -9.272 1.00 0.00 O ATOM 630 CB TYR A 64 4.089 13.750 -6.415 1.00 0.00 C ATOM 631 CG TYR A 64 5.444 13.110 -6.162 1.00 0.00 C ATOM 632 CD1 TYR A 64 6.563 13.532 -6.890 1.00 0.00 C ATOM 633 CD2 TYR A 64 5.577 12.098 -5.199 1.00 0.00 C ATOM 634 CE1 TYR A 64 7.813 12.946 -6.657 1.00 0.00 C ATOM 635 CE2 TYR A 64 6.826 11.514 -4.967 1.00 0.00 C ATOM 636 CZ TYR A 64 7.944 11.937 -5.694 1.00 0.00 C ATOM 637 OH TYR A 64 9.176 11.360 -5.465 1.00 0.00 O ATOM 638 HH TYR A 64 9.849 11.775 -6.061 1.00 0.00 H ATOM 639 H TYR A 64 1.801 12.851 -7.090 1.00 0.00 H ATOM 640 N LEU A 65 4.040 11.331 -8.615 1.00 0.00 N ATOM 641 CA LEU A 65 4.742 10.253 -9.304 1.00 0.00 C ATOM 642 C LEU A 65 4.502 10.347 -10.808 1.00 0.00 C ATOM 643 O LEU A 65 5.256 9.786 -11.603 1.00 0.00 O ATOM 644 CB LEU A 65 4.257 8.891 -8.775 1.00 0.00 C ATOM 645 CG LEU A 65 4.967 8.558 -7.442 1.00 0.00 C ATOM 646 CD1 LEU A 65 4.079 7.638 -6.587 1.00 0.00 C ATOM 647 CD2 LEU A 65 6.314 7.863 -7.727 1.00 0.00 C ATOM 648 H LEU A 65 3.175 11.116 -8.080 1.00 0.00 H ATOM 649 N ASP A 66 3.449 11.058 -11.183 1.00 0.00 N ATOM 650 CA ASP A 66 3.111 11.224 -12.590 1.00 0.00 C ATOM 651 C ASP A 66 4.190 12.027 -13.312 1.00 0.00 C ATOM 652 O ASP A 66 4.504 11.761 -14.471 1.00 0.00 O ATOM 653 CB ASP A 66 1.763 11.938 -12.709 1.00 0.00 C ATOM 654 CG ASP A 66 1.154 11.696 -14.087 1.00 0.00 C ATOM 655 OD1 ASP A 66 0.764 10.571 -14.352 1.00 0.00 O ATOM 656 OD2 ASP A 66 1.087 12.641 -14.857 1.00 0.00 O ATOM 657 H ASP A 66 2.852 11.506 -10.459 1.00 0.00 H ATOM 658 N GLN A 67 4.753 13.011 -12.618 1.00 0.00 N ATOM 659 CA GLN A 67 5.794 13.847 -13.204 1.00 0.00 C ATOM 660 C GLN A 67 6.993 12.998 -13.617 1.00 0.00 C ATOM 661 O GLN A 67 7.434 13.047 -14.765 1.00 0.00 O ATOM 662 CB GLN A 67 6.241 14.908 -12.196 1.00 0.00 C ATOM 663 CG GLN A 67 5.013 15.630 -11.636 1.00 0.00 C ATOM 664 CD GLN A 67 5.449 16.722 -10.666 1.00 0.00 C ATOM 665 OE1 GLN A 67 5.838 17.810 -11.089 1.00 0.00 O ATOM 666 NE2 GLN A 67 5.406 16.496 -9.381 1.00 0.00 N ATOM 667 HE22 GLN A 67 5.077 15.576 -9.026 1.00 0.00 H ATOM 668 HE21 GLN A 67 5.701 17.236 -8.713 1.00 0.00 H ATOM 669 H GLN A 67 4.446 13.188 -11.640 1.00 0.00 H ATOM 670 N LYS A 68 7.514 12.219 -12.674 1.00 0.00 N ATOM 671 CA LYS A 68 8.662 11.360 -12.953 1.00 0.00 C ATOM 672 C LYS A 68 8.217 10.085 -13.663 1.00 0.00 C ATOM 673 O LYS A 68 7.038 9.914 -13.969 1.00 0.00 O ATOM 674 CB LYS A 68 9.388 11.005 -11.651 1.00 0.00 C ATOM 675 CG LYS A 68 8.406 10.358 -10.664 1.00 0.00 C ATOM 676 CD LYS A 68 9.067 10.200 -9.286 1.00 0.00 C ATOM 677 CE LYS A 68 9.992 8.979 -9.282 1.00 0.00 C ATOM 678 NZ LYS A 68 10.507 8.753 -7.901 1.00 0.00 N ATOM 679 HZ1 LYS A 68 11.036 9.592 -7.588 1.00 0.00 H ATOM 680 HZ2 LYS A 68 9.707 8.586 -7.257 1.00 0.00 H ATOM 681 HZ3 LYS A 68 11.135 7.924 -7.898 1.00 0.00 H ATOM 682 H LYS A 68 7.097 12.221 -11.721 1.00 0.00 H ATOM 683 N SER A 69 9.175 9.196 -13.933 1.00 0.00 N ATOM 684 CA SER A 69 8.886 7.932 -14.619 1.00 0.00 C ATOM 685 C SER A 69 9.219 6.741 -13.719 1.00 0.00 C ATOM 686 O SER A 69 10.313 6.183 -13.804 1.00 0.00 O ATOM 687 CB SER A 69 9.725 7.843 -15.896 1.00 0.00 C ATOM 688 OG SER A 69 9.350 8.894 -16.777 1.00 0.00 O ATOM 689 HG SER A 69 9.891 8.839 -17.604 1.00 0.00 H ATOM 690 H SER A 69 10.153 9.405 -13.649 1.00 0.00 H ATOM 691 N PRO A 70 8.308 6.341 -12.866 1.00 0.00 N ATOM 692 CA PRO A 70 8.526 5.188 -11.940 1.00 0.00 C ATOM 693 C PRO A 70 8.993 3.934 -12.680 1.00 0.00 C ATOM 694 O PRO A 70 9.311 2.919 -12.061 1.00 0.00 O ATOM 695 CB PRO A 70 7.148 4.977 -11.291 1.00 0.00 C ATOM 696 CG PRO A 70 6.470 6.306 -11.387 1.00 0.00 C ATOM 697 CD PRO A 70 6.973 6.938 -12.686 1.00 0.00 C ATOM 698 N THR A 71 9.028 4.014 -14.006 1.00 0.00 N ATOM 699 CA THR A 71 9.452 2.882 -14.821 1.00 0.00 C ATOM 700 C THR A 71 8.556 1.672 -14.568 1.00 0.00 C ATOM 701 O THR A 71 9.028 0.614 -14.152 1.00 0.00 O ATOM 702 CB THR A 71 10.905 2.518 -14.497 1.00 0.00 C ATOM 703 OG1 THR A 71 10.942 1.737 -13.311 1.00 0.00 O ATOM 704 CG2 THR A 71 11.725 3.795 -14.296 1.00 0.00 C ATOM 705 HG1 THR A 71 11.880 1.502 -13.101 1.00 0.00 H ATOM 706 H THR A 71 8.748 4.901 -14.471 1.00 0.00 H ATOM 707 N PRO A 72 7.279 1.811 -14.811 1.00 0.00 N ATOM 708 CA PRO A 72 6.293 0.710 -14.607 1.00 0.00 C ATOM 709 C PRO A 72 6.388 -0.352 -15.704 1.00 0.00 C ATOM 710 O PRO A 72 7.238 -0.268 -16.590 1.00 0.00 O ATOM 711 CB PRO A 72 4.942 1.436 -14.645 1.00 0.00 C ATOM 712 CG PRO A 72 5.173 2.617 -15.531 1.00 0.00 C ATOM 713 CD PRO A 72 6.630 3.039 -15.309 1.00 0.00 C ATOM 714 N LYS A 73 5.509 -1.347 -15.635 1.00 0.00 N ATOM 715 CA LYS A 73 5.502 -2.417 -16.626 1.00 0.00 C ATOM 716 C LYS A 73 5.060 -1.872 -17.989 1.00 0.00 C ATOM 717 O LYS A 73 4.309 -0.899 -18.051 1.00 0.00 O ATOM 718 CB LYS A 73 4.547 -3.530 -16.175 1.00 0.00 C ATOM 719 CG LYS A 73 3.284 -2.906 -15.574 1.00 0.00 C ATOM 720 CD LYS A 73 2.184 -3.967 -15.476 1.00 0.00 C ATOM 721 CE LYS A 73 2.612 -5.063 -14.496 1.00 0.00 C ATOM 722 NZ LYS A 73 1.424 -5.874 -14.110 1.00 0.00 N ATOM 723 HZ1 LYS A 73 0.718 -5.259 -13.657 1.00 0.00 H ATOM 724 HZ2 LYS A 73 1.012 -6.309 -14.960 1.00 0.00 H ATOM 725 HZ3 LYS A 73 1.715 -6.618 -13.444 1.00 0.00 H ATOM 726 H LYS A 73 4.814 -1.363 -14.861 1.00 0.00 H ATOM 727 N PRO A 74 5.501 -2.469 -19.074 1.00 0.00 N ATOM 728 CA PRO A 74 5.124 -2.016 -20.443 1.00 0.00 C ATOM 729 C PRO A 74 3.679 -1.524 -20.514 1.00 0.00 C ATOM 730 O PRO A 74 2.890 -1.941 -19.683 1.00 0.00 O ATOM 731 CB PRO A 74 5.326 -3.275 -21.285 1.00 0.00 C ATOM 732 CG PRO A 74 6.462 -3.997 -20.626 1.00 0.00 C ATOM 733 CD PRO A 74 6.404 -3.637 -19.130 1.00 0.00 C ATOM 734 OXT PRO A 74 3.384 -0.738 -21.400 1.00 0.00 O TER 735 PRO A 74 HETATM 736 N VAL A 1 -13.497 8.900 13.069 1.00 0.24 N HETATM 737 CA VAL A 1 -12.802 8.945 14.388 1.00 0.07 C HETATM 738 C VAL A 1 -11.336 9.305 14.175 1.00 0.23 C HETATM 739 O VAL A 1 -10.800 9.144 13.079 1.00 -0.39 O HETATM 740 N VAL A 1 -10.692 9.793 15.231 1.00 -0.26 N HETATM 741 CA VAL A 1 -9.286 10.171 15.148 1.00 0.13 C HETATM 742 C VAL A 1 -9.092 11.265 14.097 1.00 0.20 C HETATM 743 O VAL A 1 -9.797 12.274 14.106 1.00 -0.39 O HETATM 744 N VAL A 1 -8.136 11.061 13.196 1.00 -0.26 N HETATM 745 CA VAL A 1 -7.865 12.039 12.149 1.00 0.16 C HETATM 746 C VAL A 1 -7.072 11.401 11.013 1.00 0.21 C HETATM 747 O VAL A 1 -5.842 11.447 11.001 1.00 -0.39 O HETATM 748 N VAL A 1 -7.784 10.809 10.060 1.00 -0.26 N HETATM 749 CA VAL A 1 -7.135 10.166 8.923 1.00 0.14 C HETATM 750 C VAL A 1 -6.597 11.216 7.954 1.00 0.21 C HETATM 751 O VAL A 1 -7.076 11.335 6.826 1.00 -0.39 O HETATM 752 N VAL A 1 -5.601 11.975 8.400 1.00 -0.27 N HETATM 753 CA VAL A 1 -5.007 13.010 7.562 1.00 0.12 C HETATM 754 C VAL A 1 -4.259 14.038 8.406 1.00 0.20 C HETATM 755 O VAL A 1 -4.863 14.769 9.190 1.00 -0.39 O HETATM 756 N VAL A 1 -2.941 14.087 8.238 1.00 -0.26 N HETATM 757 CA VAL A 1 -2.118 15.031 8.988 1.00 0.16 C HETATM 758 C VAL A 1 -0.714 15.106 8.395 1.00 0.21 C HETATM 759 O VAL A 1 -0.301 14.227 7.640 1.00 -0.39 O HETATM 760 N VAL A 1 0.014 16.164 8.740 1.00 -0.26 N HETATM 761 CA VAL A 1 1.371 16.345 8.234 1.00 0.16 C HETATM 762 C VAL A 1 2.311 15.301 8.828 1.00 0.21 C HETATM 763 O VAL A 1 2.033 14.729 9.883 1.00 -0.39 O HETATM 764 N VAL A 1 3.424 15.057 8.144 1.00 -0.26 N HETATM 765 CA VAL A 1 4.401 14.079 8.610 1.00 0.15 C HETATM 766 C VAL A 1 3.736 12.728 8.850 1.00 0.21 C HETATM 767 O VAL A 1 2.510 12.629 8.899 1.00 -0.39 O HETATM 768 N VAL A 1 4.552 11.689 9.004 1.00 -0.26 N HETATM 769 CA VAL A 1 4.029 10.346 9.241 1.00 0.14 C HETATM 770 CB VAL A 1 3.555 9.730 7.922 1.00 0.02 C HETATM 771 CG VAL A 1 3.144 8.289 8.146 1.00 -0.05 C HETATM 772 CD1 VAL A 1 3.811 7.257 7.472 1.00 -0.07 C HETATM 773 CE1 VAL A 1 3.433 5.924 7.683 1.00 -0.04 C HETATM 774 CZ VAL A 1 2.390 5.623 8.565 1.00 0.11 C HETATM 775 CE2 VAL A 1 1.723 6.653 9.237 1.00 -0.04 C HETATM 776 CD2 VAL A 1 2.099 7.985 9.029 1.00 -0.07 C HETATM 777 H VAL A 1 1.582 8.782 9.551 1.00 0.05 H HETATM 778 H VAL A 1 0.914 6.419 9.920 1.00 0.05 H HETATM 779 OH VAL A 1 2.020 4.313 8.772 1.00 -0.20 O HETATM 780 S VAL A 1 0.615 3.838 8.373 1.00 -0.05 S HETATM 781 O1 VAL A 1 0.488 3.855 6.888 1.00 -0.46 O HETATM 782 O2 VAL A 1 0.397 2.452 8.875 1.00 -0.46 O HETATM 783 O3 VAL A 1 -0.404 4.748 8.969 1.00 -0.46 O HETATM 784 H VAL A 1 3.949 5.126 7.162 1.00 0.05 H HETATM 785 H VAL A 1 4.619 7.490 6.788 1.00 0.05 H HETATM 786 H VAL A 1 4.373 9.766 7.187 1.00 0.05 H HETATM 787 H VAL A 1 2.695 10.300 7.541 1.00 0.05 H HETATM 788 C VAL A 1 5.097 9.462 9.887 1.00 0.21 C HETATM 789 O VAL A 1 4.835 8.313 10.241 1.00 -0.39 O HETATM 790 N VAL A 1 6.296 10.019 10.054 1.00 -0.26 N HETATM 791 CA VAL A 1 7.402 9.292 10.679 1.00 0.14 C HETATM 792 CB VAL A 1 8.226 8.537 9.618 1.00 0.02 C HETATM 793 CG VAL A 1 7.532 7.244 9.230 1.00 -0.05 C HETATM 794 CD1 VAL A 1 7.091 7.048 7.913 1.00 -0.07 C HETATM 795 CE1 VAL A 1 6.460 5.850 7.556 1.00 -0.04 C HETATM 796 CZ VAL A 1 6.265 4.849 8.513 1.00 0.11 C HETATM 797 CE2 VAL A 1 6.706 5.041 9.827 1.00 -0.04 C HETATM 798 CD2 VAL A 1 7.340 6.238 10.186 1.00 -0.07 C HETATM 799 H VAL A 1 7.682 6.386 11.204 1.00 0.05 H HETATM 800 H VAL A 1 6.557 4.263 10.568 1.00 0.05 H HETATM 801 OH VAL A 1 5.645 3.671 8.162 1.00 -0.20 O HETATM 802 S VAL A 1 4.600 3.044 9.096 1.00 -0.05 S HETATM 803 O1 VAL A 1 4.039 4.096 9.990 1.00 -0.46 O HETATM 804 O2 VAL A 1 3.504 2.443 8.285 1.00 -0.46 O HETATM 805 O3 VAL A 1 5.245 1.984 9.921 1.00 -0.46 O HETATM 806 H VAL A 1 6.122 5.698 6.537 1.00 0.05 H HETATM 807 H VAL A 1 7.239 7.824 7.171 1.00 0.05 H HETATM 808 H VAL A 1 9.220 8.306 10.028 1.00 0.05 H HETATM 809 H VAL A 1 8.336 9.171 8.726 1.00 0.05 H HETATM 810 C VAL A 1 8.301 10.275 11.428 1.00 0.21 C HETATM 811 O VAL A 1 9.528 10.199 11.350 1.00 -0.39 O HETATM 812 N VAL A 1 7.678 11.200 12.152 1.00 -0.26 N HETATM 813 CA VAL A 1 8.424 12.198 12.910 1.00 0.14 C HETATM 814 C VAL A 1 9.576 11.549 13.669 1.00 0.21 C HETATM 815 O VAL A 1 10.600 12.183 13.924 1.00 -0.39 O HETATM 816 N VAL A 1 9.403 10.282 14.028 1.00 -0.26 N HETATM 817 CA VAL A 1 10.437 9.558 14.758 1.00 0.14 C HETATM 818 C VAL A 1 11.608 9.225 13.838 1.00 0.21 C HETATM 819 O VAL A 1 12.756 9.168 14.277 1.00 -0.39 O HETATM 820 N VAL A 1 11.305 9.009 12.562 1.00 -0.26 N HETATM 821 CA VAL A 1 12.334 8.682 11.580 1.00 0.13 C HETATM 822 C VAL A 1 13.020 7.368 11.938 1.00 0.20 C HETATM 823 O VAL A 1 12.845 6.360 11.252 1.00 -0.39 O HETATM 824 N VAL A 1 13.799 7.381 13.017 1.00 -0.27 N HETATM 825 CA VAL A 1 14.502 6.179 13.456 1.00 0.12 C HETATM 826 C VAL A 1 13.574 4.968 13.425 1.00 0.20 C HETATM 827 O VAL A 1 14.025 3.824 13.480 1.00 -0.39 O HETATM 828 N VAL A 1 12.274 5.233 13.331 1.00 -0.26 N HETATM 829 CA VAL A 1 11.274 4.170 13.286 1.00 0.13 C HETATM 830 C VAL A 1 11.756 3.027 12.393 1.00 0.20 C HETATM 831 O VAL A 1 11.621 1.854 12.742 1.00 -0.39 O HETATM 832 N VAL A 1 12.333 3.380 11.245 1.00 -0.27 N HETATM 833 CA VAL A 1 12.847 2.380 10.305 1.00 0.09 C HETATM 834 C VAL A 1 13.514 1.225 11.056 1.00 0.06 C HETATM 835 O VAL A 1 14.593 1.434 11.587 1.00 -0.57 O HETATM 836 OXT VAL A 1 12.934 0.151 11.087 1.00 -0.57 O HETATM 837 CB VAL A 1 13.859 3.043 9.351 1.00 -0.02 C HETATM 838 CG VAL A 1 13.943 2.288 8.007 1.00 -0.04 C HETATM 839 CD1 VAL A 1 14.161 0.791 8.253 1.00 -0.06 C HETATM 840 H VAL A 1 14.219 0.266 7.288 1.00 0.02 H HETATM 841 H VAL A 1 13.321 0.390 8.839 1.00 0.02 H HETATM 842 H VAL A 1 15.099 0.643 8.808 1.00 0.02 H HETATM 843 CD2 VAL A 1 12.658 2.498 7.180 1.00 -0.06 C HETATM 844 H VAL A 1 12.506 3.573 7.006 1.00 0.02 H HETATM 845 H VAL A 1 11.797 2.090 7.730 1.00 0.02 H HETATM 846 H VAL A 1 12.755 1.980 6.214 1.00 0.02 H HETATM 847 H VAL A 1 14.797 2.682 7.437 1.00 0.03 H HETATM 848 H VAL A 1 14.852 3.042 9.825 1.00 0.03 H HETATM 849 H VAL A 1 13.545 4.080 9.160 1.00 0.03 H HETATM 850 H VAL A 1 12.008 1.981 9.716 1.00 0.07 H HETATM 851 H VAL A 1 12.417 4.351 11.019 1.00 0.19 H HETATM 852 CB VAL A 1 9.951 4.758 12.761 1.00 -0.01 C HETATM 853 CG VAL A 1 8.854 3.679 12.598 1.00 -0.04 C HETATM 854 CD1 VAL A 1 9.105 2.792 11.355 1.00 -0.06 C HETATM 855 H VAL A 1 8.306 2.040 11.274 1.00 0.02 H HETATM 856 H VAL A 1 10.076 2.286 11.456 1.00 0.02 H HETATM 857 H VAL A 1 9.111 3.420 10.452 1.00 0.02 H HETATM 858 CD2 VAL A 1 8.777 2.813 13.865 1.00 -0.06 C HETATM 859 H VAL A 1 8.598 3.457 14.739 1.00 0.02 H HETATM 860 H VAL A 1 9.725 2.271 13.997 1.00 0.02 H HETATM 861 H VAL A 1 7.952 2.092 13.767 1.00 0.02 H HETATM 862 H VAL A 1 7.888 4.189 12.465 1.00 0.03 H HETATM 863 H VAL A 1 10.135 5.226 11.783 1.00 0.03 H HETATM 864 H VAL A 1 9.596 5.519 13.471 1.00 0.03 H HETATM 865 H VAL A 1 11.115 3.781 14.303 1.00 0.08 H HETATM 866 H VAL A 1 11.973 6.186 13.290 1.00 0.19 H HETATM 867 H VAL A 1 14.866 6.329 14.483 1.00 0.08 H HETATM 868 H VAL A 1 15.356 5.996 12.787 1.00 0.08 H HETATM 869 H VAL A 1 13.905 8.229 13.536 1.00 0.19 H HETATM 870 CB VAL A 1 13.373 9.804 11.511 1.00 -0.01 C HETATM 871 CG1 VAL A 1 14.216 9.646 10.244 1.00 -0.06 C HETATM 872 H VAL A 1 14.962 10.453 10.197 1.00 0.02 H HETATM 873 H VAL A 1 13.563 9.698 9.360 1.00 0.02 H HETATM 874 H VAL A 1 14.729 8.673 10.264 1.00 0.02 H HETATM 875 CG2 VAL A 1 12.658 11.157 11.481 1.00 -0.06 C HETATM 876 H VAL A 1 12.052 11.271 12.392 1.00 0.02 H HETATM 877 H VAL A 1 12.005 11.207 10.597 1.00 0.02 H HETATM 878 H VAL A 1 13.403 11.965 11.433 1.00 0.02 H HETATM 879 H VAL A 1 14.026 9.754 12.395 1.00 0.03 H HETATM 880 H VAL A 1 11.859 8.576 10.594 1.00 0.08 H HETATM 881 H VAL A 1 10.351 9.072 12.268 1.00 0.19 H HETATM 882 CB VAL A 1 9.859 8.265 15.339 1.00 0.04 C HETATM 883 CG VAL A 1 8.895 8.591 16.474 1.00 0.04 C HETATM 884 OD1 VAL A 1 9.288 9.323 17.368 1.00 -0.57 O HETATM 885 OD2 VAL A 1 7.777 8.103 16.434 1.00 -0.57 O HETATM 886 H VAL A 1 10.678 7.640 15.725 1.00 0.05 H HETATM 887 H VAL A 1 9.322 7.719 14.550 1.00 0.05 H HETATM 888 H VAL A 1 10.799 10.191 15.582 1.00 0.08 H HETATM 889 H VAL A 1 8.549 9.817 13.794 1.00 0.19 H HETATM 890 CB VAL A 1 7.495 12.906 13.898 1.00 0.04 C HETATM 891 CG VAL A 1 6.945 11.902 14.906 1.00 0.04 C HETATM 892 OD1 VAL A 1 6.402 10.897 14.476 1.00 -0.57 O HETATM 893 OD2 VAL A 1 7.075 12.154 16.093 1.00 -0.57 O HETATM 894 H VAL A 1 6.660 13.365 13.348 1.00 0.05 H HETATM 895 H VAL A 1 8.057 13.687 14.431 1.00 0.05 H HETATM 896 H VAL A 1 8.834 12.940 12.209 1.00 0.08 H HETATM 897 H VAL A 1 6.678 11.212 12.177 1.00 0.19 H HETATM 898 H VAL A 1 6.991 8.564 11.394 1.00 0.08 H HETATM 899 H VAL A 1 6.444 10.958 9.744 1.00 0.19 H HETATM 900 H VAL A 1 3.171 10.417 9.926 1.00 0.08 H HETATM 901 H VAL A 1 5.541 11.830 8.957 1.00 0.19 H HETATM 902 CB VAL A 1 5.051 14.568 9.905 1.00 0.08 C HETATM 903 OG VAL A 1 5.776 13.499 10.498 1.00 -0.39 O HETATM 904 H VAL A 1 6.181 13.800 11.303 1.00 0.21 H HETATM 905 H VAL A 1 4.271 14.914 10.600 1.00 0.06 H HETATM 906 H VAL A 1 5.737 15.398 9.681 1.00 0.06 H HETATM 907 H VAL A 1 5.179 13.961 7.841 1.00 0.08 H HETATM 908 H VAL A 1 3.595 15.554 7.293 1.00 0.19 H HETATM 909 CB VAL A 1 1.875 17.747 8.585 1.00 0.09 C HETATM 910 OG1 VAL A 1 1.852 17.917 9.994 1.00 -0.39 O HETATM 911 H VAL A 1 2.165 18.787 10.212 1.00 0.21 H HETATM 912 CG2 VAL A 1 0.976 18.795 7.927 1.00 -0.03 C HETATM 913 H VAL A 1 1.340 19.802 8.181 1.00 0.03 H HETATM 914 H VAL A 1 -0.055 18.675 8.292 1.00 0.03 H HETATM 915 H VAL A 1 0.996 18.662 6.835 1.00 0.03 H HETATM 916 H VAL A 1 2.905 17.868 8.219 1.00 0.06 H HETATM 917 H VAL A 1 1.359 16.232 7.140 1.00 0.08 H HETATM 918 H VAL A 1 -0.375 16.848 9.357 1.00 0.19 H HETATM 919 CB VAL A 1 -2.033 14.600 10.455 1.00 0.09 C HETATM 920 OG1 VAL A 1 -3.344 14.451 10.980 1.00 -0.39 O HETATM 921 H VAL A 1 -3.810 13.790 10.481 1.00 0.21 H HETATM 922 CG2 VAL A 1 -1.274 15.656 11.263 1.00 -0.03 C HETATM 923 H VAL A 1 -1.216 15.341 12.315 1.00 0.03 H HETATM 924 H VAL A 1 -1.803 16.618 11.197 1.00 0.03 H HETATM 925 H VAL A 1 -0.258 15.768 10.857 1.00 0.03 H HETATM 926 H VAL A 1 -1.501 13.639 10.522 1.00 0.06 H HETATM 927 H VAL A 1 -2.581 16.027 8.934 1.00 0.08 H HETATM 928 H VAL A 1 -2.506 13.466 7.586 1.00 0.19 H HETATM 929 H VAL A 1 -5.804 13.518 7.000 1.00 0.08 H HETATM 930 H VAL A 1 -4.303 12.542 6.858 1.00 0.08 H HETATM 931 H VAL A 1 -5.253 11.834 9.327 1.00 0.19 H HETATM 932 CB VAL A 1 -8.133 9.252 8.197 1.00 0.02 C HETATM 933 CG VAL A 1 -8.318 7.965 8.978 1.00 -0.04 C HETATM 934 CD1 VAL A 1 -8.869 8.003 10.266 1.00 -0.06 C HETATM 935 CE1 VAL A 1 -9.041 6.817 10.991 1.00 -0.07 C HETATM 936 CZ VAL A 1 -8.664 5.592 10.428 1.00 -0.07 C HETATM 937 CE2 VAL A 1 -8.115 5.551 9.141 1.00 -0.07 C HETATM 938 CD2 VAL A 1 -7.941 6.735 8.415 1.00 -0.06 C HETATM 939 H VAL A 1 -7.515 6.702 7.419 1.00 0.06 H HETATM 940 H VAL A 1 -7.824 4.601 8.706 1.00 0.06 H HETATM 941 H VAL A 1 -8.797 4.674 10.989 1.00 0.06 H HETATM 942 H VAL A 1 -9.466 6.848 11.988 1.00 0.06 H HETATM 943 H VAL A 1 -9.162 8.951 10.702 1.00 0.06 H HETATM 944 H VAL A 1 -7.749 9.017 7.193 1.00 0.05 H HETATM 945 H VAL A 1 -9.101 9.767 8.108 1.00 0.05 H HETATM 946 H VAL A 1 -6.295 9.558 9.291 1.00 0.08 H HETATM 947 H VAL A 1 -8.782 10.804 10.123 1.00 0.19 H HETATM 948 CB VAL A 1 -7.078 13.218 12.726 1.00 0.09 C HETATM 949 OG1 VAL A 1 -7.759 13.728 13.864 1.00 -0.39 O HETATM 950 H VAL A 1 -7.834 13.044 14.520 1.00 0.21 H HETATM 951 CG2 VAL A 1 -6.952 14.316 11.669 1.00 -0.03 C HETATM 952 H VAL A 1 -6.386 15.162 12.085 1.00 0.03 H HETATM 953 H VAL A 1 -7.955 14.656 11.372 1.00 0.03 H HETATM 954 H VAL A 1 -6.424 13.919 10.789 1.00 0.03 H HETATM 955 H VAL A 1 -6.074 12.879 13.022 1.00 0.06 H HETATM 956 H VAL A 1 -8.822 12.408 11.752 1.00 0.08 H HETATM 957 H VAL A 1 -7.593 10.222 13.237 1.00 0.19 H HETATM 958 CB VAL A 1 -8.438 8.941 14.796 1.00 -0.00 C HETATM 959 CG VAL A 1 -6.975 9.186 15.184 1.00 0.00 C HETATM 960 CD VAL A 1 -6.800 9.029 16.692 1.00 0.04 C HETATM 961 OE1 VAL A 1 -6.935 7.915 17.170 1.00 -0.57 O HETATM 962 OE2 VAL A 1 -6.534 10.025 17.345 1.00 -0.57 O HETATM 963 H VAL A 1 -6.686 10.205 14.888 1.00 0.04 H HETATM 964 H VAL A 1 -6.334 8.458 14.665 1.00 0.04 H HETATM 965 H VAL A 1 -8.501 8.752 13.714 1.00 0.03 H HETATM 966 H VAL A 1 -8.819 8.067 15.344 1.00 0.03 H HETATM 967 H VAL A 1 -8.963 10.558 16.126 1.00 0.08 H HETATM 968 H VAL A 1 -11.180 9.903 16.097 1.00 0.19 H HETATM 969 CB VAL A 1 -12.912 7.579 15.066 1.00 0.01 C HETATM 970 CG1 VAL A 1 -14.386 7.195 15.207 1.00 -0.06 C HETATM 971 H VAL A 1 -14.464 6.212 15.695 1.00 0.02 H HETATM 972 H VAL A 1 -14.850 7.147 14.211 1.00 0.02 H HETATM 973 H VAL A 1 -14.905 7.949 15.817 1.00 0.02 H HETATM 974 CG2 VAL A 1 -12.193 6.530 14.217 1.00 -0.06 C HETATM 975 H VAL A 1 -11.133 6.805 14.115 1.00 0.02 H HETATM 976 H VAL A 1 -12.657 6.483 13.221 1.00 0.02 H HETATM 977 H VAL A 1 -12.271 5.547 14.704 1.00 0.02 H HETATM 978 H VAL A 1 -12.448 7.626 16.062 1.00 0.04 H HETATM 979 H VAL A 1 -13.275 9.707 15.025 1.00 0.11 H HETATM 980 H VAL A 1 -13.425 9.800 12.621 1.00 0.20 H HETATM 981 H VAL A 1 -14.469 8.671 13.209 1.00 0.20 H HETATM 982 H VAL A 1 -13.067 8.199 12.486 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 67 66 333 CONECT 74 73 488 CONECT 333 67 332 CONECT 488 74 487 CONECT 736 737 980 981 982 CONECT 737 736 738 969 979 CONECT 738 737 739 740 CONECT 739 738 CONECT 740 738 741 968 CONECT 741 740 742 958 967 CONECT 742 741 743 744 CONECT 743 742 CONECT 744 742 745 957 CONECT 745 744 746 948 956 CONECT 746 745 747 748 CONECT 747 746 CONECT 748 746 749 947 CONECT 749 748 750 932 946 CONECT 750 749 751 752 CONECT 751 750 CONECT 752 750 753 931 CONECT 753 752 754 929 930 CONECT 754 753 755 756 CONECT 755 754 CONECT 756 754 757 928 CONECT 757 756 758 919 927 CONECT 758 757 759 760 CONECT 759 758 CONECT 760 758 761 918 CONECT 761 760 762 909 917 CONECT 762 761 763 764 CONECT 763 762 CONECT 764 762 765 908 CONECT 765 764 766 902 907 CONECT 766 765 767 768 CONECT 767 766 CONECT 768 766 769 901 CONECT 769 768 770 788 900 CONECT 770 769 771 786 787 CONECT 771 770 772 776 CONECT 772 771 773 785 CONECT 773 772 774 784 CONECT 774 773 775 779 CONECT 775 774 776 778 CONECT 776 771 775 777 CONECT 777 776 CONECT 778 775 CONECT 779 774 780 CONECT 780 779 781 782 783 CONECT 781 780 CONECT 782 780 CONECT 783 780 CONECT 784 773 CONECT 785 772 CONECT 786 770 CONECT 787 770 CONECT 788 769 789 790 CONECT 789 788 CONECT 790 788 791 899 CONECT 791 790 792 810 898 CONECT 792 791 793 808 809 CONECT 793 792 794 798 CONECT 794 793 795 807 CONECT 795 794 796 806 CONECT 796 795 797 801 CONECT 797 796 798 800 CONECT 798 793 797 799 CONECT 799 798 CONECT 800 797 CONECT 801 796 802 CONECT 802 801 803 804 805 CONECT 803 802 CONECT 804 802 CONECT 805 802 CONECT 806 795 CONECT 807 794 CONECT 808 792 CONECT 809 792 CONECT 810 791 811 812 CONECT 811 810 CONECT 812 810 813 897 CONECT 813 812 814 890 896 CONECT 814 813 815 816 CONECT 815 814 CONECT 816 814 817 889 CONECT 817 816 818 882 888 CONECT 818 817 819 820 CONECT 819 818 CONECT 820 818 821 881 CONECT 821 820 822 870 880 CONECT 822 821 823 824 CONECT 823 822 CONECT 824 822 825 869 CONECT 825 824 826 867 868 CONECT 826 825 827 828 CONECT 827 826 CONECT 828 826 829 866 CONECT 829 828 830 852 865 CONECT 830 829 831 832 CONECT 831 830 CONECT 832 830 833 851 CONECT 833 832 834 837 850 CONECT 834 833 835 836 CONECT 835 834 CONECT 836 834 CONECT 837 833 838 848 849 CONECT 838 837 839 843 847 CONECT 839 838 840 841 842 CONECT 840 839 CONECT 841 839 CONECT 842 839 CONECT 843 838 844 845 846 CONECT 844 843 CONECT 845 843 CONECT 846 843 CONECT 847 838 CONECT 848 837 CONECT 849 837 CONECT 850 833 CONECT 851 832 CONECT 852 829 853 863 864 CONECT 853 852 854 858 862 CONECT 854 853 855 856 857 CONECT 855 854 CONECT 856 854 CONECT 857 854 CONECT 858 853 859 860 861 CONECT 859 858 CONECT 860 858 CONECT 861 858 CONECT 862 853 CONECT 863 852 CONECT 864 852 CONECT 865 829 CONECT 866 828 CONECT 867 825 CONECT 868 825 CONECT 869 824 CONECT 870 821 871 875 879 CONECT 871 870 872 873 874 CONECT 872 871 CONECT 873 871 CONECT 874 871 CONECT 875 870 876 877 878 CONECT 876 875 CONECT 877 875 CONECT 878 875 CONECT 879 870 CONECT 880 821 CONECT 881 820 CONECT 882 817 883 886 887 CONECT 883 882 884 885 CONECT 884 883 CONECT 885 883 CONECT 886 882 CONECT 887 882 CONECT 888 817 CONECT 889 816 CONECT 890 813 891 894 895 CONECT 891 890 892 893 CONECT 892 891 CONECT 893 891 CONECT 894 890 CONECT 895 890 CONECT 896 813 CONECT 897 812 CONECT 898 791 CONECT 899 790 CONECT 900 769 CONECT 901 768 CONECT 902 765 903 905 906 CONECT 903 902 904 CONECT 904 903 CONECT 905 902 CONECT 906 902 CONECT 907 765 CONECT 908 764 CONECT 909 761 910 912 916 CONECT 910 909 911 CONECT 911 910 CONECT 912 909 913 914 915 CONECT 913 912 CONECT 914 912 CONECT 915 912 CONECT 916 909 CONECT 917 761 CONECT 918 760 CONECT 919 757 920 922 926 CONECT 920 919 921 CONECT 921 920 CONECT 922 919 923 924 925 CONECT 923 922 CONECT 924 922 CONECT 925 922 CONECT 926 919 CONECT 927 757 CONECT 928 756 CONECT 929 753 CONECT 930 753 CONECT 931 752 CONECT 932 749 933 944 945 CONECT 933 932 934 938 CONECT 934 933 935 943 CONECT 935 934 936 942 CONECT 936 935 937 941 CONECT 937 936 938 940 CONECT 938 933 937 939 CONECT 939 938 CONECT 940 937 CONECT 941 936 CONECT 942 935 CONECT 943 934 CONECT 944 932 CONECT 945 932 CONECT 946 749 CONECT 947 748 CONECT 948 745 949 951 955 CONECT 949 948 950 CONECT 950 949 CONECT 951 948 952 953 954 CONECT 952 951 CONECT 953 951 CONECT 954 951 CONECT 955 948 CONECT 956 745 CONECT 957 744 CONECT 958 741 959 965 966 CONECT 959 958 960 963 964 CONECT 960 959 961 962 CONECT 961 960 CONECT 962 960 CONECT 963 959 CONECT 964 959 CONECT 965 958 CONECT 966 958 CONECT 967 741 CONECT 968 740 CONECT 969 737 970 974 978 CONECT 970 969 971 972 973 CONECT 971 970 CONECT 972 970 CONECT 973 970 CONECT 974 969 975 976 977 CONECT 975 974 CONECT 976 974 CONECT 977 974 CONECT 978 969 CONECT 979 737 CONECT 980 736 CONECT 981 736 CONECT 982 736 MASTER 0 0 0 0 0 0 0 0 981 1 255 6 END
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16-mer
3g5y
RCSB PDB
PDBbind
16-mer
3g7l
RCSB PDB
PDBbind
16-mer
3k48
RCSB PDB
PDBbind
16-mer
3nfl
RCSB PDB
PDBbind
16-mer
3oe0
RCSB PDB
PDBbind
16-mer
3tdu
RCSB PDB
PDBbind
16-mer
3twr
RCSB PDB
PDBbind
16-mer
3tws
RCSB PDB
PDBbind
16-mer
3twu
RCSB PDB
PDBbind
16-mer
3twv
RCSB PDB
PDBbind
16-mer
3tww
RCSB PDB
PDBbind
16-mer
3twx
RCSB PDB
PDBbind
16-mer
3v3b
RCSB PDB
PDBbind
16-mer
3zqi
RCSB PDB
PDBbind
16-mer
4a2a
RCSB PDB
PDBbind
16-mer
4a7j
RCSB PDB
PDBbind
16-mer
4edu
RCSB PDB
PDBbind
16-mer
4hs6
RCSB PDB
PDBbind
16-mer
4hs8
RCSB PDB
PDBbind
16-mer
4is6
RCSB PDB
PDBbind
16-mer
4j8r
RCSB PDB
PDBbind
16-mer
4l3o
RCSB PDB
PDBbind
16-mer
4nuf
RCSB PDB
PDBbind
16-mer
4odk
RCSB PDB
PDBbind
16-mer
4odl
RCSB PDB
PDBbind
16-mer
4odm
RCSB PDB
PDBbind
16-mer
4odp
RCSB PDB
PDBbind
16-mer
4odq
RCSB PDB
PDBbind
16-mer
4pz5
RCSB PDB
PDBbind
16-mer
4qq4
RCSB PDB
PDBbind
16-mer
4tzm
RCSB PDB
PDBbind
16-mer
4tzn
RCSB PDB
PDBbind
16-mer
4u2w
RCSB PDB
PDBbind
16-mer
4ud7
RCSB PDB
PDBbind
16-mer
4ue1
RCSB PDB
PDBbind
16-mer
4wci
RCSB PDB
PDBbind
16-mer
4wy7
RCSB PDB
PDBbind
16-mer
4yhp
RCSB PDB
PDBbind
16-mer
4zdu
RCSB PDB
PDBbind
16-mer
5eta
RCSB PDB
PDBbind
16-mer
5hhx
RCSB PDB
PDBbind
16-mer
5iay
RCSB PDB
PDBbind
16-mer
5icx
RCSB PDB
PDBbind
16-mer
5iy4
RCSB PDB
PDBbind
16-mer
5klr
RCSB PDB
PDBbind
16-mer
5klt
RCSB PDB
PDBbind
16-mer
5lvf
RCSB PDB
PDBbind
16-mer
5ly3
RCSB PDB
PDBbind
16-mer
5m9d
RCSB PDB
PDBbind
16-mer
5myk
RCSB PDB
PDBbind
16-mer
5myx
RCSB PDB
PDBbind
16-mer
5nin
RCSB PDB
PDBbind
16-mer
5njx
RCSB PDB
PDBbind
16-mer
5o4y
RCSB PDB
PDBbind
16-mer
5u2j
RCSB PDB
PDBbind
16-mer
5v1y
RCSB PDB
PDBbind
16-mer
5v6y
RCSB PDB
PDBbind
16-mer
5wa4
RCSB PDB
PDBbind
16-mer
5wbl
RCSB PDB
PDBbind
16-mer
5wqd
RCSB PDB
PDBbind
16-mer
5y7w
RCSB PDB
PDBbind
16-mer
6bhi
RCSB PDB
PDBbind
16-mer
6g84
RCSB PDB
PDBbind
16-mer
6g85
RCSB PDB
PDBbind
16-mer
6g86
RCSB PDB
PDBbind
16-mer
6h0b
RCSB PDB
PDBbind
16-mer
6qsz
RCSB PDB
PDBbind
16-mer
6pi7
RCSB PDB
PDBbind
16-mer
6me1
RCSB PDB
PDBbind
16-mer
6d08
RCSB PDB
PDBbind
16-mer
6d07
RCSB PDB
PDBbind
16-mer
5zml
RCSB PDB
PDBbind
16-mer
5w4e
RCSB PDB
PDBbind
16-mer
6tyz
RCSB PDB
PDBbind
16-mer
Entry Information
PDB ID
2mpm
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
CC chemokine (CCL11/ eotaxin-1)
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=1.3uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Structure Vol. 22: pp. 1571-1581
Ligand Properties
Formula
C
8
1
H
1
2
3
N
1
6
O
3
5
S
2
Molecular Weight
1945.060
Exact Mass
1943.780
No. of atoms
257
No. of bonds
259
Polar Surface Area
884.7
LOGP Value
0.06 (
Computed with XLOGP3
)
0.20 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 20
No. of Hydrogen Bond Acceptors: 33
No. of Rotatable Bonds: 71
No. of Nitrogen and Oxygen Atoms: 51
No. of Rings: 3
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CC(C)C)C(C)C)CC(=O)O)CC(=O)O)Cc1ccc(cc1)OS(O)(O)O)Cc1ccc(cc1)OS(O)(O)O)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)[NH3+])CCC(=O)O)Cc1ccccc1
InChI String
InChI=1S/C81H122N16O35S2/c1-37(2)27-50(70(112)92-56(81(123)124)28-38(3)4)85-58(102)34-84-77(119)64(40(7)8)95-74(116)55(33-62(108)109)90-73(115)54(32-61(106)107)89-72(114)52(30-45-17-21-47(22-18-45)131-133(125,126)127)87-71(113)53(31-46-19-23-48(24-20-46)132-134(128,129)130)88-75(117)57(36-98)93-79(121)67(43(11)101)97-80(122)65(41(9)99)94-59(103)35-83-68(110)51(29-44-15-13-12-14-16-44)91-78(120)66(42(10)100)96-69(111)49(25-26-60(104)105)86-76(118)63(82)39(5)6/h12-24,37-43,49-57,63-67,98-101,125-130H,25-36,82H2,1-11H3,(H,83,110)(H,84,119)(H,85,102)(H,86,118)(H,87,113)(H,88,117)(H,89,114)(H,90,115)(H,91,120)(H,92,112)(H,93,121)(H,94,103)(H,95,116)(H,96,111)(H,97,122)(H,104,105)(H,106,107)(H,108,109)(H,123,124)/p+1/t41-,42-,43-,49+,50+,51+,52+,53+,54+,55+,56+,57+,63+,64+,65+,66+,67+/m1/s1
Links to External Databases
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P51671
Entrez Gene ID
NCBI Entrez Gene ID:
6356
ASD
Information of known allosteric effects of PDB entries
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