Browse entries in the PDBbind-CN Database
HEADER 2M0O_COMPLEX COMPND 2M0O_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 79 SER ARG LEU SER ARG SER GLY ALA SER SER LEU TRP ASP SEQRES 2 A 79 PRO ALA SER PRO ALA PRO THR SER GLY PRO ARG PRO ARG SEQRES 3 A 79 LEU TRP GLU GLY GLN ASP VAL LEU ALA ARG TRP THR ASP SEQRES 4 A 79 GLY LEU LEU TYR LEU GLY THR ILE LYS LYS VAL ASP SER SEQRES 5 A 79 ALA ARG GLU VAL CYS LEU VAL GLN PHE GLU ASP ASP SER SEQRES 6 A 79 GLN PHE LEU VAL LEU TRP LYS ASP ILE SER PRO ALA ALA SEQRES 7 A 79 LEU HET ALA A 80 187 ATOM 1 N SER A 5 16.705 -28.698 15.832 1.00 0.00 N ATOM 2 CA SER A 5 16.385 -27.351 15.293 1.00 0.00 C ATOM 3 C SER A 5 16.990 -27.160 13.907 1.00 0.00 C ATOM 4 O SER A 5 18.038 -27.734 13.595 1.00 0.00 O ATOM 5 CB SER A 5 16.906 -26.267 16.238 1.00 0.00 C ATOM 6 OG SER A 5 15.843 -25.484 16.754 1.00 0.00 O ATOM 7 HA SER A 5 15.301 -27.268 15.212 1.00 0.00 H ATOM 8 HB2 SER A 5 17.593 -25.620 15.693 1.00 0.00 H ATOM 9 HB3 SER A 5 17.434 -26.740 17.066 1.00 0.00 H ATOM 10 HG SER A 5 16.208 -24.792 17.361 1.00 0.00 H ATOM 11 HN3 SER A 5 17.737 -28.807 15.900 1.00 0.00 H ATOM 12 HN2 SER A 5 16.320 -29.425 15.196 1.00 0.00 H ATOM 13 HN1 SER A 5 16.281 -28.802 16.776 1.00 0.00 H ATOM 14 N ARG A 6 16.318 -26.349 13.083 1.00 0.00 N ATOM 15 CA ARG A 6 16.774 -26.068 11.722 1.00 0.00 C ATOM 16 C ARG A 6 17.456 -24.705 11.649 1.00 0.00 C ATOM 17 O ARG A 6 16.962 -23.726 12.216 1.00 0.00 O ATOM 18 CB ARG A 6 15.598 -26.116 10.746 1.00 0.00 C ATOM 19 CG ARG A 6 15.579 -27.365 9.879 1.00 0.00 C ATOM 20 CD ARG A 6 14.439 -27.323 8.871 1.00 0.00 C ATOM 21 NE ARG A 6 13.635 -28.551 8.901 1.00 0.00 N ATOM 22 CZ ARG A 6 13.480 -29.391 7.867 1.00 0.00 C ATOM 23 NH1 ARG A 6 14.065 -29.159 6.693 1.00 0.00 N ATOM 24 NH2 ARG A 6 12.729 -30.474 8.013 1.00 0.00 N ATOM 25 HA ARG A 6 17.498 -26.833 11.443 1.00 0.00 H ATOM 26 HB2 ARG A 6 14.672 -26.080 11.319 1.00 0.00 H ATOM 27 HB3 ARG A 6 15.655 -25.244 10.094 1.00 0.00 H ATOM 28 HG2 ARG A 6 16.525 -27.439 9.342 1.00 0.00 H ATOM 29 HG3 ARG A 6 15.456 -28.239 10.518 1.00 0.00 H ATOM 30 HD2 ARG A 6 14.856 -27.199 7.872 1.00 0.00 H ATOM 31 HD3 ARG A 6 13.795 -26.474 9.102 1.00 0.00 H ATOM 32 HE ARG A 6 13.150 -28.787 9.790 1.00 0.00 H ATOM 33 HH12 ARG A 6 13.931 -29.824 5.905 1.00 0.00 H ATOM 34 HH11 ARG A 6 14.656 -28.313 6.565 1.00 0.00 H ATOM 35 HH22 ARG A 6 12.603 -31.131 7.217 1.00 0.00 H ATOM 36 HH21 ARG A 6 12.266 -30.667 8.924 1.00 0.00 H ATOM 37 H ARG A 6 15.442 -25.903 13.421 1.00 0.00 H ATOM 38 N LEU A 7 18.591 -24.659 10.946 1.00 0.00 N ATOM 39 CA LEU A 7 19.362 -23.422 10.783 1.00 0.00 C ATOM 40 C LEU A 7 19.076 -22.754 9.433 1.00 0.00 C ATOM 41 O LEU A 7 19.012 -21.525 9.347 1.00 0.00 O ATOM 42 CB LEU A 7 20.872 -23.691 10.937 1.00 0.00 C ATOM 43 CG LEU A 7 21.442 -24.868 10.127 1.00 0.00 C ATOM 44 CD1 LEU A 7 22.410 -24.368 9.066 1.00 0.00 C ATOM 45 CD2 LEU A 7 22.127 -25.864 11.049 1.00 0.00 C ATOM 46 HA LEU A 7 19.048 -22.737 11.571 1.00 0.00 H ATOM 47 HB2 LEU A 7 21.403 -22.789 10.631 1.00 0.00 H ATOM 48 HB3 LEU A 7 21.069 -23.887 11.991 1.00 0.00 H ATOM 49 HG LEU A 7 20.617 -25.373 9.626 1.00 0.00 H ATOM 50 HD21 LEU A 7 22.942 -25.368 11.577 1.00 0.00 H ATOM 51 HD22 LEU A 7 21.405 -26.246 11.770 1.00 0.00 H ATOM 52 HD23 LEU A 7 22.524 -26.690 10.459 1.00 0.00 H ATOM 53 HD11 LEU A 7 21.888 -23.692 8.389 1.00 0.00 H ATOM 54 HD12 LEU A 7 23.232 -23.838 9.547 1.00 0.00 H ATOM 55 HD13 LEU A 7 22.802 -25.216 8.505 1.00 0.00 H ATOM 56 H LEU A 7 18.940 -25.531 10.499 1.00 0.00 H ATOM 57 N SER A 8 18.907 -23.578 8.390 1.00 0.00 N ATOM 58 CA SER A 8 18.631 -23.084 7.038 1.00 0.00 C ATOM 59 C SER A 8 17.132 -23.047 6.757 1.00 0.00 C ATOM 60 O SER A 8 16.373 -23.872 7.277 1.00 0.00 O ATOM 61 CB SER A 8 19.335 -23.960 5.997 1.00 0.00 C ATOM 62 OG SER A 8 19.098 -25.336 6.237 1.00 0.00 O ATOM 63 HA SER A 8 19.016 -22.066 6.970 1.00 0.00 H ATOM 64 HB2 SER A 8 20.408 -23.771 6.041 1.00 0.00 H ATOM 65 HB3 SER A 8 18.962 -23.703 5.006 1.00 0.00 H ATOM 66 HG SER A 8 19.565 -25.875 5.550 1.00 0.00 H ATOM 67 H SER A 8 18.974 -24.604 8.545 1.00 0.00 H ATOM 68 N ARG A 9 16.720 -22.080 5.931 1.00 0.00 N ATOM 69 CA ARG A 9 15.312 -21.907 5.560 1.00 0.00 C ATOM 70 C ARG A 9 14.990 -22.588 4.222 1.00 0.00 C ATOM 71 O ARG A 9 13.840 -22.563 3.768 1.00 0.00 O ATOM 72 CB ARG A 9 14.974 -20.414 5.486 1.00 0.00 C ATOM 73 CG ARG A 9 14.679 -19.788 6.840 1.00 0.00 C ATOM 74 CD ARG A 9 14.993 -18.299 6.846 1.00 0.00 C ATOM 75 NE ARG A 9 14.488 -17.636 8.052 1.00 0.00 N ATOM 76 CZ ARG A 9 14.047 -16.370 8.100 1.00 0.00 C ATOM 77 NH1 ARG A 9 14.041 -15.600 7.013 1.00 0.00 N ATOM 78 NH2 ARG A 9 13.610 -15.871 9.249 1.00 0.00 N ATOM 79 HA ARG A 9 14.702 -22.382 6.328 1.00 0.00 H ATOM 80 HB2 ARG A 9 15.820 -19.891 5.041 1.00 0.00 H ATOM 81 HB3 ARG A 9 14.097 -20.290 4.851 1.00 0.00 H ATOM 82 HG2 ARG A 9 13.624 -19.929 7.073 1.00 0.00 H ATOM 83 HG3 ARG A 9 15.286 -20.281 7.599 1.00 0.00 H ATOM 84 HD2 ARG A 9 14.533 -17.838 5.972 1.00 0.00 H ATOM 85 HD3 ARG A 9 16.074 -18.167 6.798 1.00 0.00 H ATOM 86 HE ARG A 9 14.470 -18.187 8.934 1.00 0.00 H ATOM 87 HH12 ARG A 9 13.695 -14.621 7.071 1.00 0.00 H ATOM 88 HH11 ARG A 9 14.382 -15.978 6.106 1.00 0.00 H ATOM 89 HH22 ARG A 9 13.267 -14.890 9.293 1.00 0.00 H ATOM 90 HH21 ARG A 9 13.611 -16.461 10.106 1.00 0.00 H ATOM 91 H ARG A 9 17.425 -21.425 5.536 1.00 0.00 H ATOM 92 N SER A 10 16.017 -23.210 3.599 1.00 0.00 N ATOM 93 CA SER A 10 15.894 -23.914 2.300 1.00 0.00 C ATOM 94 C SER A 10 15.509 -22.957 1.167 1.00 0.00 C ATOM 95 O SER A 10 14.464 -22.301 1.224 1.00 0.00 O ATOM 96 CB SER A 10 14.888 -25.078 2.375 1.00 0.00 C ATOM 97 OG SER A 10 15.489 -26.297 1.974 1.00 0.00 O ATOM 98 HA SER A 10 16.878 -24.326 2.078 1.00 0.00 H ATOM 99 HB2 SER A 10 14.045 -24.863 1.718 1.00 0.00 H ATOM 100 HB3 SER A 10 14.532 -25.176 3.401 1.00 0.00 H ATOM 101 HG SER A 10 14.822 -27.027 2.031 1.00 0.00 H ATOM 102 H SER A 10 16.950 -23.193 4.059 1.00 0.00 H ATOM 103 N GLY A 11 16.369 -22.889 0.145 1.00 0.00 N ATOM 104 CA GLY A 11 16.129 -22.016 -0.995 1.00 0.00 C ATOM 105 C GLY A 11 16.907 -20.717 -0.899 1.00 0.00 C ATOM 106 O GLY A 11 16.479 -19.784 -0.214 1.00 0.00 O ATOM 107 HA3 GLY A 11 15.065 -21.785 -1.042 1.00 0.00 H ATOM 108 HA2 GLY A 11 16.427 -22.537 -1.905 1.00 0.00 H ATOM 109 H GLY A 11 17.229 -23.473 0.165 1.00 0.00 H ATOM 110 N ALA A 12 18.051 -20.665 -1.587 1.00 0.00 N ATOM 111 CA ALA A 12 18.909 -19.480 -1.586 1.00 0.00 C ATOM 112 C ALA A 12 18.721 -18.655 -2.854 1.00 0.00 C ATOM 113 O ALA A 12 18.751 -19.194 -3.964 1.00 0.00 O ATOM 114 CB ALA A 12 20.367 -19.887 -1.433 1.00 0.00 C ATOM 115 HA ALA A 12 18.621 -18.859 -0.738 1.00 0.00 H ATOM 116 HB1 ALA A 12 20.497 -20.423 -0.493 1.00 0.00 H ATOM 117 HB2 ALA A 12 20.651 -20.533 -2.263 1.00 0.00 H ATOM 118 HB3 ALA A 12 20.994 -18.995 -1.434 1.00 0.00 H ATOM 119 H ALA A 12 18.342 -21.495 -2.142 1.00 0.00 H ATOM 120 N SER A 13 18.526 -17.346 -2.671 1.00 0.00 N ATOM 121 CA SER A 13 18.334 -16.420 -3.787 1.00 0.00 C ATOM 122 C SER A 13 19.435 -15.359 -3.800 1.00 0.00 C ATOM 123 O SER A 13 19.607 -14.618 -2.827 1.00 0.00 O ATOM 124 CB SER A 13 16.958 -15.754 -3.698 1.00 0.00 C ATOM 125 OG SER A 13 15.922 -16.720 -3.738 1.00 0.00 O ATOM 126 HA SER A 13 18.388 -16.987 -4.716 1.00 0.00 H ATOM 127 HB2 SER A 13 16.839 -15.068 -4.537 1.00 0.00 H ATOM 128 HB3 SER A 13 16.891 -15.198 -2.763 1.00 0.00 H ATOM 129 HG SER A 13 15.045 -16.264 -3.679 1.00 0.00 H ATOM 130 H SER A 13 18.510 -16.972 -1.701 1.00 0.00 H ATOM 131 N SER A 14 20.182 -15.301 -4.924 1.00 0.00 N ATOM 132 CA SER A 14 21.299 -14.344 -5.124 1.00 0.00 C ATOM 133 C SER A 14 22.347 -14.441 -4.003 1.00 0.00 C ATOM 134 O SER A 14 22.149 -13.920 -2.898 1.00 0.00 O ATOM 135 CB SER A 14 20.783 -12.899 -5.258 1.00 0.00 C ATOM 136 OG SER A 14 19.842 -12.789 -6.312 1.00 0.00 O ATOM 137 HA SER A 14 21.787 -14.621 -6.058 1.00 0.00 H ATOM 138 HB2 SER A 14 21.625 -12.237 -5.462 1.00 0.00 H ATOM 139 HB3 SER A 14 20.307 -12.602 -4.323 1.00 0.00 H ATOM 140 HG SER A 14 19.528 -11.852 -6.376 1.00 0.00 H ATOM 141 H SER A 14 19.962 -15.965 -5.694 1.00 0.00 H ATOM 142 N LEU A 15 23.456 -15.128 -4.304 1.00 0.00 N ATOM 143 CA LEU A 15 24.549 -15.315 -3.342 1.00 0.00 C ATOM 144 C LEU A 15 25.921 -15.067 -3.994 1.00 0.00 C ATOM 145 O LEU A 15 26.952 -15.542 -3.501 1.00 0.00 O ATOM 146 CB LEU A 15 24.484 -16.733 -2.751 1.00 0.00 C ATOM 147 CG LEU A 15 24.821 -16.834 -1.261 1.00 0.00 C ATOM 148 CD1 LEU A 15 23.550 -16.828 -0.424 1.00 0.00 C ATOM 149 CD2 LEU A 15 25.635 -18.087 -0.985 1.00 0.00 C ATOM 150 HA LEU A 15 24.428 -14.585 -2.542 1.00 0.00 H ATOM 151 HB2 LEU A 15 23.472 -17.113 -2.895 1.00 0.00 H ATOM 152 HB3 LEU A 15 25.187 -17.360 -3.299 1.00 0.00 H ATOM 153 HG LEU A 15 25.419 -15.966 -0.983 1.00 0.00 H ATOM 154 HD21 LEU A 15 25.060 -18.965 -1.279 1.00 0.00 H ATOM 155 HD22 LEU A 15 26.562 -18.050 -1.557 1.00 0.00 H ATOM 156 HD23 LEU A 15 25.865 -18.142 0.079 1.00 0.00 H ATOM 157 HD11 LEU A 15 23.004 -15.902 -0.602 1.00 0.00 H ATOM 158 HD12 LEU A 15 22.928 -17.678 -0.705 1.00 0.00 H ATOM 159 HD13 LEU A 15 23.811 -16.901 0.632 1.00 0.00 H ATOM 160 H LEU A 15 23.546 -15.544 -5.253 1.00 0.00 H ATOM 161 N TRP A 16 25.923 -14.300 -5.091 1.00 0.00 N ATOM 162 CA TRP A 16 27.155 -13.982 -5.820 1.00 0.00 C ATOM 163 C TRP A 16 27.252 -12.483 -6.107 1.00 0.00 C ATOM 164 O TRP A 16 26.251 -11.842 -6.437 1.00 0.00 O ATOM 165 CB TRP A 16 27.246 -14.788 -7.133 1.00 0.00 C ATOM 166 CG TRP A 16 26.014 -14.717 -8.004 1.00 0.00 C ATOM 167 CD1 TRP A 16 24.984 -15.612 -8.035 1.00 0.00 C ATOM 168 CD2 TRP A 16 25.688 -13.698 -8.965 1.00 0.00 C ATOM 169 NE1 TRP A 16 24.041 -15.218 -8.952 1.00 0.00 N ATOM 170 CE2 TRP A 16 24.448 -14.047 -9.536 1.00 0.00 C ATOM 171 CE3 TRP A 16 26.322 -12.526 -9.398 1.00 0.00 C ATOM 172 CZ2 TRP A 16 23.833 -13.269 -10.512 1.00 0.00 C ATOM 173 CZ3 TRP A 16 25.709 -11.756 -10.369 1.00 0.00 C ATOM 174 CH2 TRP A 16 24.475 -12.129 -10.916 1.00 0.00 C ATOM 175 HA TRP A 16 27.996 -14.264 -5.186 1.00 0.00 H ATOM 176 HB2 TRP A 16 28.091 -14.408 -7.707 1.00 0.00 H ATOM 177 HB3 TRP A 16 27.423 -15.833 -6.879 1.00 0.00 H ATOM 178 HE1 TRP A 16 23.160 -15.726 -9.168 1.00 0.00 H ATOM 179 HD1 TRP A 16 24.919 -16.510 -7.420 1.00 0.00 H ATOM 180 HZ2 TRP A 16 22.873 -13.557 -10.940 1.00 0.00 H ATOM 181 HH2 TRP A 16 24.016 -11.499 -11.678 1.00 0.00 H ATOM 182 HZ3 TRP A 16 26.194 -10.843 -10.715 1.00 0.00 H ATOM 183 HE3 TRP A 16 27.282 -12.227 -8.977 1.00 0.00 H ATOM 184 H TRP A 16 25.021 -13.917 -5.438 1.00 0.00 H ATOM 185 N ASP A 17 28.467 -11.942 -5.976 1.00 0.00 N ATOM 186 CA ASP A 17 28.718 -10.522 -6.219 1.00 0.00 C ATOM 187 C ASP A 17 29.302 -10.303 -7.627 1.00 0.00 C ATOM 188 O ASP A 17 29.897 -11.229 -8.187 1.00 0.00 O ATOM 189 CB ASP A 17 29.677 -9.965 -5.165 1.00 0.00 C ATOM 190 CG ASP A 17 28.973 -9.618 -3.868 1.00 0.00 C ATOM 191 OD1 ASP A 17 28.260 -8.595 -3.835 1.00 0.00 O ATOM 192 OD2 ASP A 17 29.136 -10.372 -2.886 1.00 0.00 O ATOM 193 HA ASP A 17 27.768 -9.993 -6.152 1.00 0.00 H ATOM 194 HB2 ASP A 17 30.443 -10.712 -4.959 1.00 0.00 H ATOM 195 HB3 ASP A 17 30.147 -9.064 -5.560 1.00 0.00 H ATOM 196 H ASP A 17 29.260 -12.551 -5.692 1.00 0.00 H ATOM 197 N PRO A 18 29.150 -9.079 -8.234 1.00 0.00 N ATOM 198 CA PRO A 18 29.679 -8.790 -9.580 1.00 0.00 C ATOM 199 C PRO A 18 31.187 -8.527 -9.579 1.00 0.00 C ATOM 200 O PRO A 18 31.699 -7.825 -8.703 1.00 0.00 O ATOM 201 CB PRO A 18 28.925 -7.519 -10.016 1.00 0.00 C ATOM 202 CG PRO A 18 27.927 -7.239 -8.935 1.00 0.00 C ATOM 203 CD PRO A 18 28.456 -7.892 -7.693 1.00 0.00 C ATOM 204 HA PRO A 18 29.534 -9.639 -10.248 1.00 0.00 H ATOM 205 HD3 PRO A 18 29.148 -7.236 -7.165 1.00 0.00 H ATOM 206 HD2 PRO A 18 27.647 -8.179 -7.022 1.00 0.00 H ATOM 207 HG3 PRO A 18 26.957 -7.660 -9.199 1.00 0.00 H ATOM 208 HG2 PRO A 18 27.826 -6.164 -8.783 1.00 0.00 H ATOM 209 HB2 PRO A 18 29.618 -6.684 -10.118 1.00 0.00 H ATOM 210 HB3 PRO A 18 28.418 -7.687 -10.966 1.00 0.00 H ATOM 211 N ALA A 19 31.881 -9.099 -10.569 1.00 0.00 N ATOM 212 CA ALA A 19 33.331 -8.935 -10.704 1.00 0.00 C ATOM 213 C ALA A 19 33.682 -7.806 -11.677 1.00 0.00 C ATOM 214 O ALA A 19 34.797 -7.276 -11.642 1.00 0.00 O ATOM 215 CB ALA A 19 33.965 -10.240 -11.161 1.00 0.00 C ATOM 216 HA ALA A 19 33.729 -8.665 -9.726 1.00 0.00 H ATOM 217 HB1 ALA A 19 33.760 -11.019 -10.427 1.00 0.00 H ATOM 218 HB2 ALA A 19 33.546 -10.528 -12.125 1.00 0.00 H ATOM 219 HB3 ALA A 19 35.042 -10.105 -11.257 1.00 0.00 H ATOM 220 H ALA A 19 31.374 -9.680 -11.267 1.00 0.00 H ATOM 221 N SER A 20 32.721 -7.449 -12.539 1.00 0.00 N ATOM 222 CA SER A 20 32.904 -6.385 -13.527 1.00 0.00 C ATOM 223 C SER A 20 31.713 -5.408 -13.498 1.00 0.00 C ATOM 224 O SER A 20 30.643 -5.774 -13.001 1.00 0.00 O ATOM 225 CB SER A 20 33.055 -6.987 -14.927 1.00 0.00 C ATOM 226 OG SER A 20 34.419 -7.211 -15.243 1.00 0.00 O ATOM 227 HA SER A 20 33.811 -5.834 -13.277 1.00 0.00 H ATOM 228 HB2 SER A 20 32.628 -6.300 -15.658 1.00 0.00 H ATOM 229 HB3 SER A 20 32.520 -7.936 -14.966 1.00 0.00 H ATOM 230 HG SER A 20 34.487 -7.599 -16.151 1.00 0.00 H ATOM 231 H SER A 20 31.809 -7.948 -12.505 1.00 0.00 H ATOM 232 N PRO A 21 31.860 -4.144 -14.026 1.00 0.00 N ATOM 233 CA PRO A 21 30.757 -3.152 -14.035 1.00 0.00 C ATOM 234 C PRO A 21 29.544 -3.613 -14.852 1.00 0.00 C ATOM 235 O PRO A 21 29.679 -3.993 -16.020 1.00 0.00 O ATOM 236 CB PRO A 21 31.384 -1.905 -14.677 1.00 0.00 C ATOM 237 CG PRO A 21 32.854 -2.092 -14.536 1.00 0.00 C ATOM 238 CD PRO A 21 33.087 -3.571 -14.633 1.00 0.00 C ATOM 239 HA PRO A 21 30.373 -2.984 -13.029 1.00 0.00 H ATOM 240 HD3 PRO A 21 33.193 -3.884 -15.672 1.00 0.00 H ATOM 241 HD2 PRO A 21 33.975 -3.865 -14.074 1.00 0.00 H ATOM 242 HG3 PRO A 21 33.194 -1.716 -13.571 1.00 0.00 H ATOM 243 HG2 PRO A 21 33.382 -1.571 -15.335 1.00 0.00 H ATOM 244 HB2 PRO A 21 31.106 -1.835 -15.729 1.00 0.00 H ATOM 245 HB3 PRO A 21 31.061 -1.003 -14.157 1.00 0.00 H ATOM 246 N ALA A 22 28.369 -3.582 -14.217 1.00 0.00 N ATOM 247 CA ALA A 22 27.121 -3.993 -14.860 1.00 0.00 C ATOM 248 C ALA A 22 26.059 -2.886 -14.766 1.00 0.00 C ATOM 249 O ALA A 22 25.781 -2.399 -13.666 1.00 0.00 O ATOM 250 CB ALA A 22 26.604 -5.279 -14.231 1.00 0.00 C ATOM 251 HA ALA A 22 27.326 -4.173 -15.915 1.00 0.00 H ATOM 252 HB1 ALA A 22 27.347 -6.067 -14.356 1.00 0.00 H ATOM 253 HB2 ALA A 22 26.422 -5.115 -13.169 1.00 0.00 H ATOM 254 HB3 ALA A 22 25.675 -5.573 -14.719 1.00 0.00 H ATOM 255 H ALA A 22 28.341 -3.254 -13.230 1.00 0.00 H ATOM 256 N PRO A 23 25.448 -2.462 -15.919 1.00 0.00 N ATOM 257 CA PRO A 23 24.415 -1.408 -15.924 1.00 0.00 C ATOM 258 C PRO A 23 23.042 -1.906 -15.452 1.00 0.00 C ATOM 259 O PRO A 23 22.786 -3.113 -15.429 1.00 0.00 O ATOM 260 CB PRO A 23 24.361 -0.976 -17.394 1.00 0.00 C ATOM 261 CG PRO A 23 24.781 -2.179 -18.176 1.00 0.00 C ATOM 262 CD PRO A 23 25.730 -2.956 -17.294 1.00 0.00 C ATOM 263 HA PRO A 23 24.660 -0.601 -15.233 1.00 0.00 H ATOM 264 HD3 PRO A 23 25.536 -4.026 -17.367 1.00 0.00 H ATOM 265 HD2 PRO A 23 26.765 -2.756 -17.571 1.00 0.00 H ATOM 266 HG3 PRO A 23 25.284 -1.875 -19.094 1.00 0.00 H ATOM 267 HG2 PRO A 23 23.912 -2.789 -18.424 1.00 0.00 H ATOM 268 HB2 PRO A 23 23.349 -0.677 -17.667 1.00 0.00 H ATOM 269 HB3 PRO A 23 25.045 -0.146 -17.573 1.00 0.00 H ATOM 270 N THR A 24 22.173 -0.959 -15.079 1.00 0.00 N ATOM 271 CA THR A 24 20.823 -1.277 -14.609 1.00 0.00 C ATOM 272 C THR A 24 19.798 -1.084 -15.723 1.00 0.00 C ATOM 273 O THR A 24 19.674 0.012 -16.280 1.00 0.00 O ATOM 274 CB THR A 24 20.418 -0.410 -13.397 1.00 0.00 C ATOM 275 OG1 THR A 24 20.865 0.940 -13.578 1.00 0.00 O ATOM 276 CG2 THR A 24 20.999 -0.974 -12.108 1.00 0.00 C ATOM 277 HA THR A 24 20.837 -2.323 -14.302 1.00 0.00 H ATOM 278 HB THR A 24 19.331 -0.421 -13.324 1.00 0.00 H ATOM 279 HG1 THR A 24 20.453 1.316 -14.396 1.00 0.00 H ATOM 280 HG23 THR A 24 20.656 -2.000 -11.975 1.00 0.00 H ATOM 281 HG21 THR A 24 22.087 -0.957 -12.164 1.00 0.00 H ATOM 282 HG22 THR A 24 20.668 -0.367 -11.265 1.00 0.00 H ATOM 283 H THR A 24 22.467 0.038 -15.125 1.00 0.00 H ATOM 284 N SER A 25 19.073 -2.161 -16.041 1.00 0.00 N ATOM 285 CA SER A 25 18.051 -2.135 -17.089 1.00 0.00 C ATOM 286 C SER A 25 16.642 -2.124 -16.494 1.00 0.00 C ATOM 287 O SER A 25 15.755 -1.434 -17.006 1.00 0.00 O ATOM 288 CB SER A 25 18.214 -3.339 -18.019 1.00 0.00 C ATOM 289 OG SER A 25 17.756 -3.040 -19.326 1.00 0.00 O ATOM 290 HA SER A 25 18.185 -1.217 -17.661 1.00 0.00 H ATOM 291 HB2 SER A 25 17.639 -4.176 -17.623 1.00 0.00 H ATOM 292 HB3 SER A 25 19.268 -3.614 -18.065 1.00 0.00 H ATOM 293 HG SER A 25 17.873 -3.834 -19.905 1.00 0.00 H ATOM 294 H SER A 25 19.241 -3.049 -15.526 1.00 0.00 H ATOM 295 N GLY A 26 16.449 -2.894 -15.416 1.00 0.00 N ATOM 296 CA GLY A 26 15.152 -2.972 -14.759 1.00 0.00 C ATOM 297 C GLY A 26 15.120 -2.213 -13.433 1.00 0.00 C ATOM 298 O GLY A 26 15.410 -2.811 -12.393 1.00 0.00 O ATOM 299 HA3 GLY A 26 14.919 -4.020 -14.568 1.00 0.00 H ATOM 300 HA2 GLY A 26 14.398 -2.549 -15.423 1.00 0.00 H ATOM 301 H GLY A 26 17.244 -3.449 -15.039 1.00 0.00 H ATOM 302 N PRO A 27 14.771 -0.887 -13.426 1.00 0.00 N ATOM 303 CA PRO A 27 14.709 -0.080 -12.189 1.00 0.00 C ATOM 304 C PRO A 27 13.517 -0.452 -11.306 1.00 0.00 C ATOM 305 O PRO A 27 12.478 -0.889 -11.810 1.00 0.00 O ATOM 306 CB PRO A 27 14.558 1.368 -12.692 1.00 0.00 C ATOM 307 CG PRO A 27 14.833 1.314 -14.159 1.00 0.00 C ATOM 308 CD PRO A 27 14.430 -0.061 -14.601 1.00 0.00 C ATOM 309 HA PRO A 27 15.592 -0.239 -11.570 1.00 0.00 H ATOM 310 HD3 PRO A 27 13.363 -0.108 -14.820 1.00 0.00 H ATOM 311 HD2 PRO A 27 14.994 -0.374 -15.480 1.00 0.00 H ATOM 312 HG3 PRO A 27 15.893 1.480 -14.353 1.00 0.00 H ATOM 313 HG2 PRO A 27 14.247 2.068 -14.683 1.00 0.00 H ATOM 314 HB2 PRO A 27 13.547 1.732 -12.507 1.00 0.00 H ATOM 315 HB3 PRO A 27 15.275 2.021 -12.194 1.00 0.00 H ATOM 316 N ARG A 28 13.682 -0.273 -9.993 1.00 0.00 N ATOM 317 CA ARG A 28 12.632 -0.591 -9.026 1.00 0.00 C ATOM 318 C ARG A 28 12.284 0.635 -8.160 1.00 0.00 C ATOM 319 O ARG A 28 13.103 1.058 -7.336 1.00 0.00 O ATOM 320 CB ARG A 28 13.071 -1.761 -8.139 1.00 0.00 C ATOM 321 CG ARG A 28 12.182 -2.988 -8.265 1.00 0.00 C ATOM 322 CD ARG A 28 12.457 -3.991 -7.155 1.00 0.00 C ATOM 323 NE ARG A 28 12.055 -5.351 -7.532 1.00 0.00 N ATOM 324 CZ ARG A 28 12.196 -6.432 -6.752 1.00 0.00 C ATOM 325 NH1 ARG A 28 12.735 -6.341 -5.538 1.00 0.00 N ATOM 326 NH2 ARG A 28 11.793 -7.615 -7.195 1.00 0.00 N ATOM 327 HA ARG A 28 11.737 -0.878 -9.578 1.00 0.00 H ATOM 328 HB2 ARG A 28 14.087 -2.042 -8.416 1.00 0.00 H ATOM 329 HB3 ARG A 28 13.057 -1.430 -7.100 1.00 0.00 H ATOM 330 HG2 ARG A 28 11.139 -2.677 -8.212 1.00 0.00 H ATOM 331 HG3 ARG A 28 12.369 -3.464 -9.228 1.00 0.00 H ATOM 332 HD2 ARG A 28 11.902 -3.693 -6.266 1.00 0.00 H ATOM 333 HD3 ARG A 28 13.524 -3.988 -6.934 1.00 0.00 H ATOM 334 HE ARG A 28 11.630 -5.486 -8.472 1.00 0.00 H ATOM 335 HH12 ARG A 28 12.835 -7.192 -4.949 1.00 0.00 H ATOM 336 HH11 ARG A 28 13.056 -5.419 -5.179 1.00 0.00 H ATOM 337 HH22 ARG A 28 11.899 -8.458 -6.596 1.00 0.00 H ATOM 338 HH21 ARG A 28 11.371 -7.700 -8.142 1.00 0.00 H ATOM 339 H ARG A 28 14.587 0.105 -9.647 1.00 0.00 H ATOM 340 N PRO A 29 11.063 1.247 -8.336 1.00 0.00 N ATOM 341 CA PRO A 29 10.631 2.421 -7.538 1.00 0.00 C ATOM 342 C PRO A 29 10.570 2.131 -6.036 1.00 0.00 C ATOM 343 O PRO A 29 10.489 0.969 -5.626 1.00 0.00 O ATOM 344 CB PRO A 29 9.225 2.728 -8.068 1.00 0.00 C ATOM 345 CG PRO A 29 9.186 2.117 -9.423 1.00 0.00 C ATOM 346 CD PRO A 29 10.030 0.879 -9.336 1.00 0.00 C ATOM 347 HA PRO A 29 11.335 3.247 -7.641 1.00 0.00 H ATOM 348 HD3 PRO A 29 9.442 0.027 -8.996 1.00 0.00 H ATOM 349 HD2 PRO A 29 10.483 0.645 -10.299 1.00 0.00 H ATOM 350 HG3 PRO A 29 9.596 2.805 -10.162 1.00 0.00 H ATOM 351 HG2 PRO A 29 8.162 1.861 -9.695 1.00 0.00 H ATOM 352 HB2 PRO A 29 8.466 2.283 -7.424 1.00 0.00 H ATOM 353 HB3 PRO A 29 9.064 3.804 -8.127 1.00 0.00 H ATOM 354 N ARG A 30 10.609 3.197 -5.228 1.00 0.00 N ATOM 355 CA ARG A 30 10.569 3.070 -3.771 1.00 0.00 C ATOM 356 C ARG A 30 9.243 3.573 -3.199 1.00 0.00 C ATOM 357 O ARG A 30 8.519 4.331 -3.851 1.00 0.00 O ATOM 358 CB ARG A 30 11.740 3.843 -3.142 1.00 0.00 C ATOM 359 CG ARG A 30 12.809 2.956 -2.503 1.00 0.00 C ATOM 360 CD ARG A 30 13.879 2.537 -3.506 1.00 0.00 C ATOM 361 NE ARG A 30 15.072 3.387 -3.426 1.00 0.00 N ATOM 362 CZ ARG A 30 16.333 2.945 -3.535 1.00 0.00 C ATOM 363 NH1 ARG A 30 16.596 1.653 -3.731 1.00 0.00 N ATOM 364 NH2 ARG A 30 17.338 3.804 -3.445 1.00 0.00 N ATOM 365 HA ARG A 30 10.659 2.012 -3.526 1.00 0.00 H ATOM 366 HB2 ARG A 30 12.213 4.440 -3.922 1.00 0.00 H ATOM 367 HB3 ARG A 30 11.339 4.503 -2.373 1.00 0.00 H ATOM 368 HG2 ARG A 30 13.284 3.506 -1.691 1.00 0.00 H ATOM 369 HG3 ARG A 30 12.331 2.061 -2.103 1.00 0.00 H ATOM 370 HD2 ARG A 30 13.465 2.606 -4.512 1.00 0.00 H ATOM 371 HD3 ARG A 30 14.167 1.506 -3.303 1.00 0.00 H ATOM 372 HE ARG A 30 14.929 4.406 -3.274 1.00 0.00 H ATOM 373 HH12 ARG A 30 17.581 1.329 -3.813 1.00 0.00 H ATOM 374 HH11 ARG A 30 15.816 0.969 -3.802 1.00 0.00 H ATOM 375 HH22 ARG A 30 18.319 3.468 -3.529 1.00 0.00 H ATOM 376 HH21 ARG A 30 17.146 4.814 -3.291 1.00 0.00 H ATOM 377 H ARG A 30 10.670 4.146 -5.649 1.00 0.00 H ATOM 378 N LEU A 31 8.952 3.147 -1.962 1.00 0.00 N ATOM 379 CA LEU A 31 7.728 3.523 -1.245 1.00 0.00 C ATOM 380 C LEU A 31 7.890 4.891 -0.578 1.00 0.00 C ATOM 381 O LEU A 31 8.734 5.065 0.309 1.00 0.00 O ATOM 382 CB LEU A 31 7.406 2.443 -0.191 1.00 0.00 C ATOM 383 CG LEU A 31 6.434 1.311 -0.608 1.00 0.00 C ATOM 384 CD1 LEU A 31 5.179 1.858 -1.269 1.00 0.00 C ATOM 385 CD2 LEU A 31 7.110 0.290 -1.517 1.00 0.00 C ATOM 386 HA LEU A 31 6.904 3.593 -1.955 1.00 0.00 H ATOM 387 HB2 LEU A 31 8.348 1.976 0.098 1.00 0.00 H ATOM 388 HB3 LEU A 31 6.971 2.947 0.672 1.00 0.00 H ATOM 389 HG LEU A 31 6.138 0.803 0.310 1.00 0.00 H ATOM 390 HD21 LEU A 31 7.464 0.788 -2.420 1.00 0.00 H ATOM 391 HD22 LEU A 31 7.954 -0.159 -0.993 1.00 0.00 H ATOM 392 HD23 LEU A 31 6.393 -0.486 -1.786 1.00 0.00 H ATOM 393 HD11 LEU A 31 4.660 2.516 -0.572 1.00 0.00 H ATOM 394 HD12 LEU A 31 5.455 2.419 -2.162 1.00 0.00 H ATOM 395 HD13 LEU A 31 4.525 1.031 -1.545 1.00 0.00 H ATOM 396 H LEU A 31 9.629 2.517 -1.486 1.00 0.00 H ATOM 397 N TRP A 32 7.081 5.859 -1.028 1.00 0.00 N ATOM 398 CA TRP A 32 7.124 7.231 -0.503 1.00 0.00 C ATOM 399 C TRP A 32 5.730 7.867 -0.529 1.00 0.00 C ATOM 400 O TRP A 32 4.872 7.446 -1.307 1.00 0.00 O ATOM 401 CB TRP A 32 8.138 8.085 -1.305 1.00 0.00 C ATOM 402 CG TRP A 32 7.766 8.336 -2.745 1.00 0.00 C ATOM 403 CD1 TRP A 32 7.709 7.414 -3.750 1.00 0.00 C ATOM 404 CD2 TRP A 32 7.408 9.597 -3.337 1.00 0.00 C ATOM 405 NE1 TRP A 32 7.325 8.017 -4.921 1.00 0.00 N ATOM 406 CE2 TRP A 32 7.139 9.355 -4.697 1.00 0.00 C ATOM 407 CE3 TRP A 32 7.284 10.905 -2.850 1.00 0.00 C ATOM 408 CZ2 TRP A 32 6.756 10.367 -5.573 1.00 0.00 C ATOM 409 CZ3 TRP A 32 6.905 11.908 -3.722 1.00 0.00 C ATOM 410 CH2 TRP A 32 6.645 11.634 -5.070 1.00 0.00 C ATOM 411 HA TRP A 32 7.455 7.193 0.535 1.00 0.00 H ATOM 412 HB2 TRP A 32 8.235 9.050 -0.808 1.00 0.00 H ATOM 413 HB3 TRP A 32 9.099 7.572 -1.289 1.00 0.00 H ATOM 414 HE1 TRP A 32 7.196 7.535 -5.833 1.00 0.00 H ATOM 415 HD1 TRP A 32 7.935 6.354 -3.638 1.00 0.00 H ATOM 416 HZ2 TRP A 32 6.552 10.157 -6.623 1.00 0.00 H ATOM 417 HH2 TRP A 32 6.348 12.447 -5.732 1.00 0.00 H ATOM 418 HZ3 TRP A 32 6.807 12.929 -3.354 1.00 0.00 H ATOM 419 HE3 TRP A 32 7.483 11.128 -1.802 1.00 0.00 H ATOM 420 H TRP A 32 6.397 5.631 -1.777 1.00 0.00 H ATOM 421 N GLU A 33 5.525 8.900 0.305 1.00 0.00 N ATOM 422 CA GLU A 33 4.233 9.601 0.391 1.00 0.00 C ATOM 423 C GLU A 33 3.883 10.303 -0.928 1.00 0.00 C ATOM 424 O GLU A 33 4.592 11.215 -1.368 1.00 0.00 O ATOM 425 CB GLU A 33 4.252 10.615 1.541 1.00 0.00 C ATOM 426 CG GLU A 33 4.069 9.985 2.913 1.00 0.00 C ATOM 427 CD GLU A 33 4.252 10.979 4.042 1.00 0.00 C ATOM 428 OE1 GLU A 33 3.340 11.805 4.260 1.00 0.00 O ATOM 429 OE2 GLU A 33 5.306 10.933 4.710 1.00 0.00 O ATOM 430 HA GLU A 33 3.464 8.854 0.586 1.00 0.00 H ATOM 431 HB2 GLU A 33 5.210 11.136 1.526 1.00 0.00 H ATOM 432 HB3 GLU A 33 3.447 11.333 1.381 1.00 0.00 H ATOM 433 HG2 GLU A 33 3.064 9.568 2.974 1.00 0.00 H ATOM 434 HG3 GLU A 33 4.800 9.185 3.030 1.00 0.00 H ATOM 435 H GLU A 33 6.308 9.216 0.912 1.00 0.00 H ATOM 436 N GLY A 34 2.789 9.848 -1.550 1.00 0.00 N ATOM 437 CA GLY A 34 2.341 10.406 -2.819 1.00 0.00 C ATOM 438 C GLY A 34 2.769 9.558 -4.003 1.00 0.00 C ATOM 439 O GLY A 34 2.921 10.072 -5.116 1.00 0.00 O ATOM 440 HA3 GLY A 34 2.763 11.405 -2.932 1.00 0.00 H ATOM 441 HA2 GLY A 34 1.253 10.471 -2.809 1.00 0.00 H ATOM 442 H GLY A 34 2.244 9.076 -1.116 1.00 0.00 H ATOM 443 N GLN A 35 2.962 8.256 -3.756 1.00 0.00 N ATOM 444 CA GLN A 35 3.373 7.313 -4.791 1.00 0.00 C ATOM 445 C GLN A 35 2.163 6.504 -5.257 1.00 0.00 C ATOM 446 O GLN A 35 1.533 5.809 -4.453 1.00 0.00 O ATOM 447 CB GLN A 35 4.504 6.401 -4.236 1.00 0.00 C ATOM 448 CG GLN A 35 4.623 5.006 -4.875 1.00 0.00 C ATOM 449 CD GLN A 35 5.992 4.713 -5.468 1.00 0.00 C ATOM 450 OE1 GLN A 35 6.655 5.590 -6.025 1.00 0.00 O ATOM 451 NE2 GLN A 35 6.413 3.458 -5.361 1.00 0.00 N ATOM 452 HA GLN A 35 3.766 7.847 -5.656 1.00 0.00 H ATOM 453 HB2 GLN A 35 5.452 6.918 -4.385 1.00 0.00 H ATOM 454 HB3 GLN A 35 4.329 6.265 -3.169 1.00 0.00 H ATOM 455 HG2 GLN A 35 4.414 4.259 -4.109 1.00 0.00 H ATOM 456 HG3 GLN A 35 3.881 4.928 -5.670 1.00 0.00 H ATOM 457 HE22 GLN A 35 5.821 2.750 -4.882 1.00 0.00 H ATOM 458 HE21 GLN A 35 7.335 3.183 -5.756 1.00 0.00 H ATOM 459 H GLN A 35 2.813 7.903 -2.789 1.00 0.00 H ATOM 460 N ASP A 36 1.840 6.604 -6.558 1.00 0.00 N ATOM 461 CA ASP A 36 0.716 5.851 -7.127 1.00 0.00 C ATOM 462 C ASP A 36 1.100 4.376 -7.190 1.00 0.00 C ATOM 463 O ASP A 36 1.976 3.972 -7.964 1.00 0.00 O ATOM 464 CB ASP A 36 0.312 6.374 -8.511 1.00 0.00 C ATOM 465 CG ASP A 36 -0.249 7.783 -8.466 1.00 0.00 C ATOM 466 OD1 ASP A 36 0.551 8.739 -8.383 1.00 0.00 O ATOM 467 OD2 ASP A 36 -1.488 7.929 -8.515 1.00 0.00 O ATOM 468 HA ASP A 36 -0.155 5.981 -6.485 1.00 0.00 H ATOM 469 HB2 ASP A 36 1.191 6.369 -9.156 1.00 0.00 H ATOM 470 HB3 ASP A 36 -0.446 5.710 -8.927 1.00 0.00 H ATOM 471 H ASP A 36 2.398 7.228 -7.174 1.00 0.00 H ATOM 472 N VAL A 37 0.437 3.599 -6.351 1.00 0.00 N ATOM 473 CA VAL A 37 0.704 2.175 -6.212 1.00 0.00 C ATOM 474 C VAL A 37 -0.469 1.312 -6.649 1.00 0.00 C ATOM 475 O VAL A 37 -1.605 1.782 -6.761 1.00 0.00 O ATOM 476 CB VAL A 37 1.032 1.815 -4.731 1.00 0.00 C ATOM 477 CG1 VAL A 37 2.370 2.409 -4.317 1.00 0.00 C ATOM 478 CG2 VAL A 37 -0.090 2.255 -3.768 1.00 0.00 C ATOM 479 HA VAL A 37 1.556 1.969 -6.861 1.00 0.00 H ATOM 480 HB VAL A 37 1.102 0.729 -4.667 1.00 0.00 H ATOM 481 HG11 VAL A 37 3.156 2.012 -4.959 1.00 0.00 H ATOM 482 HG12 VAL A 37 2.331 3.494 -4.416 1.00 0.00 H ATOM 483 HG13 VAL A 37 2.578 2.145 -3.280 1.00 0.00 H ATOM 484 HG21 VAL A 37 -0.222 3.335 -3.835 1.00 0.00 H ATOM 485 HG22 VAL A 37 -1.019 1.756 -4.043 1.00 0.00 H ATOM 486 HG23 VAL A 37 0.182 1.984 -2.748 1.00 0.00 H ATOM 487 H VAL A 37 -0.309 4.024 -5.764 1.00 0.00 H ATOM 488 N LEU A 38 -0.157 0.044 -6.892 1.00 0.00 N ATOM 489 CA LEU A 38 -1.147 -0.940 -7.255 1.00 0.00 C ATOM 490 C LEU A 38 -1.160 -2.021 -6.194 1.00 0.00 C ATOM 491 O LEU A 38 -0.285 -2.895 -6.146 1.00 0.00 O ATOM 492 CB LEU A 38 -0.859 -1.517 -8.642 1.00 0.00 C ATOM 493 CG LEU A 38 -1.013 -0.532 -9.813 1.00 0.00 C ATOM 494 CD1 LEU A 38 -0.481 -1.127 -11.107 1.00 0.00 C ATOM 495 CD2 LEU A 38 -2.465 -0.136 -9.986 1.00 0.00 C ATOM 496 HA LEU A 38 -2.132 -0.475 -7.307 1.00 0.00 H ATOM 497 HB2 LEU A 38 0.166 -1.887 -8.646 1.00 0.00 H ATOM 498 HB3 LEU A 38 -1.544 -2.348 -8.809 1.00 0.00 H ATOM 499 HG LEU A 38 -0.427 0.356 -9.578 1.00 0.00 H ATOM 500 HD21 LEU A 38 -3.061 -1.025 -10.190 1.00 0.00 H ATOM 501 HD22 LEU A 38 -2.822 0.340 -9.073 1.00 0.00 H ATOM 502 HD23 LEU A 38 -2.553 0.561 -10.819 1.00 0.00 H ATOM 503 HD11 LEU A 38 0.576 -1.364 -10.989 1.00 0.00 H ATOM 504 HD12 LEU A 38 -1.035 -2.036 -11.342 1.00 0.00 H ATOM 505 HD13 LEU A 38 -0.605 -0.406 -11.915 1.00 0.00 H ATOM 506 H LEU A 38 0.838 -0.250 -6.818 1.00 0.00 H ATOM 507 N ALA A 39 -2.165 -1.929 -5.335 1.00 0.00 N ATOM 508 CA ALA A 39 -2.342 -2.852 -4.231 1.00 0.00 C ATOM 509 C ALA A 39 -3.200 -4.040 -4.659 1.00 0.00 C ATOM 510 O ALA A 39 -4.413 -3.913 -4.856 1.00 0.00 O ATOM 511 CB ALA A 39 -2.963 -2.104 -3.061 1.00 0.00 C ATOM 512 HA ALA A 39 -1.376 -3.251 -3.921 1.00 0.00 H ATOM 513 HB1 ALA A 39 -2.303 -1.290 -2.760 1.00 0.00 H ATOM 514 HB2 ALA A 39 -3.929 -1.698 -3.362 1.00 0.00 H ATOM 515 HB3 ALA A 39 -3.100 -2.790 -2.225 1.00 0.00 H ATOM 516 H ALA A 39 -2.856 -1.162 -5.458 1.00 0.00 H ATOM 517 N ARG A 40 -2.548 -5.192 -4.821 1.00 0.00 N ATOM 518 CA ARG A 40 -3.217 -6.427 -5.234 1.00 0.00 C ATOM 519 C ARG A 40 -4.081 -6.985 -4.098 1.00 0.00 C ATOM 520 O ARG A 40 -3.590 -7.190 -2.983 1.00 0.00 O ATOM 521 CB ARG A 40 -2.168 -7.461 -5.633 1.00 0.00 C ATOM 522 CG ARG A 40 -2.484 -8.200 -6.925 1.00 0.00 C ATOM 523 CD ARG A 40 -1.330 -9.094 -7.359 1.00 0.00 C ATOM 524 NE ARG A 40 -1.514 -10.482 -6.921 1.00 0.00 N ATOM 525 CZ ARG A 40 -1.645 -11.533 -7.744 1.00 0.00 C ATOM 526 NH1 ARG A 40 -1.628 -11.381 -9.068 1.00 0.00 N ATOM 527 NH2 ARG A 40 -1.796 -12.748 -7.234 1.00 0.00 N ATOM 528 HA ARG A 40 -3.864 -6.206 -6.083 1.00 0.00 H ATOM 529 HB2 ARG A 40 -1.213 -6.950 -5.755 1.00 0.00 H ATOM 530 HB3 ARG A 40 -2.087 -8.194 -4.830 1.00 0.00 H ATOM 531 HG2 ARG A 40 -3.370 -8.816 -6.772 1.00 0.00 H ATOM 532 HG3 ARG A 40 -2.681 -7.470 -7.711 1.00 0.00 H ATOM 533 HD2 ARG A 40 -0.405 -8.709 -6.929 1.00 0.00 H ATOM 534 HD3 ARG A 40 -1.259 -9.074 -8.447 1.00 0.00 H ATOM 535 HE ARG A 40 -1.545 -10.664 -5.898 1.00 0.00 H ATOM 536 HH12 ARG A 40 -1.731 -12.210 -9.688 1.00 0.00 H ATOM 537 HH11 ARG A 40 -1.511 -10.434 -9.481 1.00 0.00 H ATOM 538 HH22 ARG A 40 -1.898 -13.568 -7.865 1.00 0.00 H ATOM 539 HH21 ARG A 40 -1.812 -12.881 -6.203 1.00 0.00 H ATOM 540 H ARG A 40 -1.523 -5.214 -4.647 1.00 0.00 H ATOM 541 N TRP A 41 -5.363 -7.218 -4.388 1.00 0.00 N ATOM 542 CA TRP A 41 -6.291 -7.743 -3.389 1.00 0.00 C ATOM 543 C TRP A 41 -6.515 -9.252 -3.578 1.00 0.00 C ATOM 544 O TRP A 41 -6.227 -9.804 -4.644 1.00 0.00 O ATOM 545 CB TRP A 41 -7.611 -6.944 -3.420 1.00 0.00 C ATOM 546 CG TRP A 41 -8.470 -7.147 -2.195 1.00 0.00 C ATOM 547 CD1 TRP A 41 -9.714 -7.705 -2.153 1.00 0.00 C ATOM 548 CD2 TRP A 41 -8.142 -6.799 -0.836 1.00 0.00 C ATOM 549 NE1 TRP A 41 -10.182 -7.725 -0.861 1.00 0.00 N ATOM 550 CE2 TRP A 41 -9.237 -7.177 -0.035 1.00 0.00 C ATOM 551 CE3 TRP A 41 -7.032 -6.208 -0.221 1.00 0.00 C ATOM 552 CZ2 TRP A 41 -9.253 -6.982 1.345 1.00 0.00 C ATOM 553 CZ3 TRP A 41 -7.050 -6.016 1.148 1.00 0.00 C ATOM 554 CH2 TRP A 41 -8.154 -6.403 1.917 1.00 0.00 C ATOM 555 HA TRP A 41 -5.853 -7.618 -2.399 1.00 0.00 H ATOM 556 HB2 TRP A 41 -7.371 -5.884 -3.501 1.00 0.00 H ATOM 557 HB3 TRP A 41 -8.181 -7.254 -4.296 1.00 0.00 H ATOM 558 HE1 TRP A 41 -11.105 -8.097 -0.559 1.00 0.00 H ATOM 559 HD1 TRP A 41 -10.258 -8.081 -3.019 1.00 0.00 H ATOM 560 HZ2 TRP A 41 -10.111 -7.280 1.947 1.00 0.00 H ATOM 561 HH2 TRP A 41 -8.137 -6.239 2.995 1.00 0.00 H ATOM 562 HZ3 TRP A 41 -6.191 -5.556 1.636 1.00 0.00 H ATOM 563 HE3 TRP A 41 -6.168 -5.904 -0.812 1.00 0.00 H ATOM 564 H TRP A 41 -5.710 -7.021 -5.349 1.00 0.00 H ATOM 565 N THR A 42 -7.037 -9.903 -2.521 1.00 0.00 N ATOM 566 CA THR A 42 -7.282 -11.362 -2.506 1.00 0.00 C ATOM 567 C THR A 42 -8.452 -11.812 -3.414 1.00 0.00 C ATOM 568 O THR A 42 -8.738 -13.012 -3.501 1.00 0.00 O ATOM 569 CB THR A 42 -7.497 -11.879 -1.044 1.00 0.00 C ATOM 570 OG1 THR A 42 -7.709 -13.298 -1.042 1.00 0.00 O ATOM 571 CG2 THR A 42 -8.669 -11.189 -0.338 1.00 0.00 C ATOM 572 HA THR A 42 -6.382 -11.814 -2.923 1.00 0.00 H ATOM 573 HB THR A 42 -6.589 -11.635 -0.492 1.00 0.00 H ATOM 574 HG1 THR A 42 -8.511 -13.511 -1.581 1.00 0.00 H ATOM 575 HG23 THR A 42 -8.508 -10.111 -0.339 1.00 0.00 H ATOM 576 HG21 THR A 42 -9.595 -11.420 -0.864 1.00 0.00 H ATOM 577 HG22 THR A 42 -8.734 -11.547 0.690 1.00 0.00 H ATOM 578 H THR A 42 -7.280 -9.353 -1.673 1.00 0.00 H ATOM 579 N ASP A 43 -9.110 -10.861 -4.086 1.00 0.00 N ATOM 580 CA ASP A 43 -10.226 -11.177 -4.984 1.00 0.00 C ATOM 581 C ASP A 43 -9.732 -11.425 -6.415 1.00 0.00 C ATOM 582 O ASP A 43 -10.522 -11.768 -7.303 1.00 0.00 O ATOM 583 CB ASP A 43 -11.259 -10.045 -4.975 1.00 0.00 C ATOM 584 CG ASP A 43 -12.183 -10.112 -3.773 1.00 0.00 C ATOM 585 OD1 ASP A 43 -12.910 -11.119 -3.634 1.00 0.00 O ATOM 586 OD2 ASP A 43 -12.185 -9.154 -2.973 1.00 0.00 O ATOM 587 HA ASP A 43 -10.697 -12.090 -4.621 1.00 0.00 H ATOM 588 HB2 ASP A 43 -10.732 -9.091 -4.959 1.00 0.00 H ATOM 589 HB3 ASP A 43 -11.859 -10.112 -5.882 1.00 0.00 H ATOM 590 H ASP A 43 -8.822 -9.869 -3.968 1.00 0.00 H ATOM 591 N GLY A 44 -8.418 -11.257 -6.619 1.00 0.00 N ATOM 592 CA GLY A 44 -7.819 -11.452 -7.932 1.00 0.00 C ATOM 593 C GLY A 44 -7.696 -10.157 -8.720 1.00 0.00 C ATOM 594 O GLY A 44 -6.997 -10.110 -9.737 1.00 0.00 O ATOM 595 HA3 GLY A 44 -8.438 -12.147 -8.498 1.00 0.00 H ATOM 596 HA2 GLY A 44 -6.824 -11.877 -7.802 1.00 0.00 H ATOM 597 H GLY A 44 -7.812 -10.981 -5.820 1.00 0.00 H ATOM 598 N LEU A 45 -8.378 -9.110 -8.241 1.00 0.00 N ATOM 599 CA LEU A 45 -8.364 -7.802 -8.890 1.00 0.00 C ATOM 600 C LEU A 45 -7.368 -6.860 -8.215 1.00 0.00 C ATOM 601 O LEU A 45 -7.096 -6.983 -7.016 1.00 0.00 O ATOM 602 CB LEU A 45 -9.767 -7.185 -8.869 1.00 0.00 C ATOM 603 CG LEU A 45 -10.817 -7.946 -9.682 1.00 0.00 C ATOM 604 CD1 LEU A 45 -12.045 -8.220 -8.836 1.00 0.00 C ATOM 605 CD2 LEU A 45 -11.191 -7.175 -10.937 1.00 0.00 C ATOM 606 HA LEU A 45 -8.050 -7.944 -9.924 1.00 0.00 H ATOM 607 HB2 LEU A 45 -10.104 -7.145 -7.833 1.00 0.00 H ATOM 608 HB3 LEU A 45 -9.698 -6.173 -9.267 1.00 0.00 H ATOM 609 HG LEU A 45 -10.388 -8.901 -9.987 1.00 0.00 H ATOM 610 HD21 LEU A 45 -11.599 -6.204 -10.657 1.00 0.00 H ATOM 611 HD22 LEU A 45 -10.303 -7.034 -11.553 1.00 0.00 H ATOM 612 HD23 LEU A 45 -11.938 -7.736 -11.498 1.00 0.00 H ATOM 613 HD11 LEU A 45 -11.762 -8.820 -7.971 1.00 0.00 H ATOM 614 HD12 LEU A 45 -12.472 -7.275 -8.501 1.00 0.00 H ATOM 615 HD13 LEU A 45 -12.781 -8.762 -9.430 1.00 0.00 H ATOM 616 H LEU A 45 -8.939 -9.232 -7.374 1.00 0.00 H ATOM 617 N LEU A 46 -6.836 -5.922 -9.004 1.00 0.00 N ATOM 618 CA LEU A 46 -5.866 -4.931 -8.528 1.00 0.00 C ATOM 619 C LEU A 46 -6.585 -3.703 -7.944 1.00 0.00 C ATOM 620 O LEU A 46 -7.782 -3.506 -8.180 1.00 0.00 O ATOM 621 CB LEU A 46 -4.960 -4.514 -9.711 1.00 0.00 C ATOM 622 CG LEU A 46 -3.681 -3.718 -9.402 1.00 0.00 C ATOM 623 CD1 LEU A 46 -2.753 -4.453 -8.438 1.00 0.00 C ATOM 624 CD2 LEU A 46 -2.963 -3.432 -10.709 1.00 0.00 C ATOM 625 HA LEU A 46 -5.259 -5.369 -7.736 1.00 0.00 H ATOM 626 HB2 LEU A 46 -4.657 -5.427 -10.224 1.00 0.00 H ATOM 627 HB3 LEU A 46 -5.565 -3.905 -10.383 1.00 0.00 H ATOM 628 HG LEU A 46 -3.966 -2.789 -8.909 1.00 0.00 H ATOM 629 HD21 LEU A 46 -2.707 -4.373 -11.195 1.00 0.00 H ATOM 630 HD22 LEU A 46 -3.615 -2.850 -11.361 1.00 0.00 H ATOM 631 HD23 LEU A 46 -2.053 -2.867 -10.506 1.00 0.00 H ATOM 632 HD11 LEU A 46 -3.274 -4.630 -7.497 1.00 0.00 H ATOM 633 HD12 LEU A 46 -2.458 -5.407 -8.876 1.00 0.00 H ATOM 634 HD13 LEU A 46 -1.866 -3.846 -8.255 1.00 0.00 H ATOM 635 H LEU A 46 -7.124 -5.894 -10.003 1.00 0.00 H ATOM 636 N TYR A 47 -5.838 -2.885 -7.194 1.00 0.00 N ATOM 637 CA TYR A 47 -6.377 -1.675 -6.567 1.00 0.00 C ATOM 638 C TYR A 47 -5.416 -0.510 -6.794 1.00 0.00 C ATOM 639 O TYR A 47 -4.204 -0.670 -6.636 1.00 0.00 O ATOM 640 CB TYR A 47 -6.560 -1.867 -5.046 1.00 0.00 C ATOM 641 CG TYR A 47 -7.722 -2.743 -4.555 1.00 0.00 C ATOM 642 CD1 TYR A 47 -8.746 -3.205 -5.385 1.00 0.00 C ATOM 643 CD2 TYR A 47 -7.788 -3.087 -3.208 1.00 0.00 C ATOM 644 CE1 TYR A 47 -9.784 -3.971 -4.890 1.00 0.00 C ATOM 645 CE2 TYR A 47 -8.822 -3.856 -2.709 1.00 0.00 C ATOM 646 CZ TYR A 47 -9.816 -4.294 -3.554 1.00 0.00 C ATOM 647 OH TYR A 47 -10.850 -5.055 -3.058 1.00 0.00 O ATOM 648 HA TYR A 47 -7.347 -1.468 -7.018 1.00 0.00 H ATOM 649 HB3 TYR A 47 -6.696 -0.877 -4.610 1.00 0.00 H ATOM 650 HB2 TYR A 47 -5.640 -2.308 -4.664 1.00 0.00 H ATOM 651 HD2 TYR A 47 -7.006 -2.742 -2.531 1.00 0.00 H ATOM 652 HE2 TYR A 47 -8.850 -4.115 -1.650 1.00 0.00 H ATOM 653 HE1 TYR A 47 -10.574 -4.318 -5.556 1.00 0.00 H ATOM 654 HD1 TYR A 47 -8.726 -2.956 -6.446 1.00 0.00 H ATOM 655 HH TYR A 47 -11.472 -5.283 -3.793 1.00 0.00 H ATOM 656 H TYR A 47 -4.834 -3.117 -7.050 1.00 0.00 H ATOM 657 N LEU A 48 -5.956 0.653 -7.170 1.00 0.00 N ATOM 658 CA LEU A 48 -5.136 1.843 -7.394 1.00 0.00 C ATOM 659 C LEU A 48 -5.223 2.775 -6.189 1.00 0.00 C ATOM 660 O LEU A 48 -6.315 3.050 -5.685 1.00 0.00 O ATOM 661 CB LEU A 48 -5.567 2.579 -8.678 1.00 0.00 C ATOM 662 CG LEU A 48 -4.773 3.861 -9.033 1.00 0.00 C ATOM 663 CD1 LEU A 48 -3.376 3.533 -9.554 1.00 0.00 C ATOM 664 CD2 LEU A 48 -5.529 4.696 -10.055 1.00 0.00 C ATOM 665 HA LEU A 48 -4.101 1.526 -7.521 1.00 0.00 H ATOM 666 HB2 LEU A 48 -5.464 1.883 -9.511 1.00 0.00 H ATOM 667 HB3 LEU A 48 -6.615 2.857 -8.566 1.00 0.00 H ATOM 668 HG LEU A 48 -4.662 4.439 -8.115 1.00 0.00 H ATOM 669 HD21 LEU A 48 -5.678 4.110 -10.962 1.00 0.00 H ATOM 670 HD22 LEU A 48 -6.497 4.983 -9.644 1.00 0.00 H ATOM 671 HD23 LEU A 48 -4.953 5.591 -10.289 1.00 0.00 H ATOM 672 HD11 LEU A 48 -2.823 2.987 -8.789 1.00 0.00 H ATOM 673 HD12 LEU A 48 -3.459 2.920 -10.452 1.00 0.00 H ATOM 674 HD13 LEU A 48 -2.852 4.459 -9.792 1.00 0.00 H ATOM 675 H LEU A 48 -6.985 0.713 -7.307 1.00 0.00 H ATOM 676 N GLY A 49 -4.059 3.255 -5.748 1.00 0.00 N ATOM 677 CA GLY A 49 -4.003 4.151 -4.604 1.00 0.00 C ATOM 678 C GLY A 49 -2.673 4.856 -4.460 1.00 0.00 C ATOM 679 O GLY A 49 -1.678 4.407 -5.012 1.00 0.00 O ATOM 680 HA3 GLY A 49 -4.187 3.570 -3.700 1.00 0.00 H ATOM 681 HA2 GLY A 49 -4.783 4.904 -4.715 1.00 0.00 H ATOM 682 H GLY A 49 -3.178 2.984 -6.230 1.00 0.00 H ATOM 683 N THR A 50 -2.669 5.978 -3.736 1.00 0.00 N ATOM 684 CA THR A 50 -1.441 6.740 -3.490 1.00 0.00 C ATOM 685 C THR A 50 -0.969 6.495 -2.063 1.00 0.00 C ATOM 686 O THR A 50 -1.783 6.276 -1.168 1.00 0.00 O ATOM 687 CB THR A 50 -1.612 8.258 -3.730 1.00 0.00 C ATOM 688 OG1 THR A 50 -2.923 8.548 -4.238 1.00 0.00 O ATOM 689 CG2 THR A 50 -0.561 8.757 -4.714 1.00 0.00 C ATOM 690 HA THR A 50 -0.697 6.389 -4.205 1.00 0.00 H ATOM 691 HB THR A 50 -1.484 8.769 -2.776 1.00 0.00 H ATOM 692 HG1 THR A 50 -3.011 9.523 -4.384 1.00 0.00 H ATOM 693 HG23 THR A 50 0.433 8.535 -4.325 1.00 0.00 H ATOM 694 HG21 THR A 50 -0.697 8.258 -5.673 1.00 0.00 H ATOM 695 HG22 THR A 50 -0.670 9.834 -4.845 1.00 0.00 H ATOM 696 H THR A 50 -3.565 6.322 -3.334 1.00 0.00 H ATOM 697 N ILE A 51 0.348 6.552 -1.854 1.00 0.00 N ATOM 698 CA ILE A 51 0.945 6.284 -0.537 1.00 0.00 C ATOM 699 C ILE A 51 0.740 7.433 0.453 1.00 0.00 C ATOM 700 O ILE A 51 1.228 8.547 0.253 1.00 0.00 O ATOM 701 CB ILE A 51 2.461 5.921 -0.673 1.00 0.00 C ATOM 702 CG1 ILE A 51 2.629 4.679 -1.580 1.00 0.00 C ATOM 703 CG2 ILE A 51 3.138 5.689 0.692 1.00 0.00 C ATOM 704 CD1 ILE A 51 2.054 3.392 -1.004 1.00 0.00 C ATOM 705 HA ILE A 51 0.418 5.423 -0.125 1.00 0.00 H ATOM 706 HB ILE A 51 2.960 6.775 -1.131 1.00 0.00 H ATOM 707 HG12 ILE A 51 2.131 4.880 -2.528 1.00 0.00 H ATOM 708 HG13 ILE A 51 3.694 4.527 -1.756 1.00 0.00 H ATOM 709 HD11 ILE A 51 2.550 3.165 -0.060 1.00 0.00 H ATOM 710 HD12 ILE A 51 0.985 3.518 -0.833 1.00 0.00 H ATOM 711 HD13 ILE A 51 2.218 2.576 -1.708 1.00 0.00 H ATOM 712 HG21 ILE A 51 3.062 6.596 1.292 1.00 0.00 H ATOM 713 HG22 ILE A 51 2.641 4.867 1.208 1.00 0.00 H ATOM 714 HG23 ILE A 51 4.188 5.441 0.538 1.00 0.00 H ATOM 715 H ILE A 51 0.973 6.794 -2.649 1.00 0.00 H ATOM 716 N LYS A 52 0.002 7.118 1.522 1.00 0.00 N ATOM 717 CA LYS A 52 -0.281 8.068 2.595 1.00 0.00 C ATOM 718 C LYS A 52 0.711 7.885 3.747 1.00 0.00 C ATOM 719 O LYS A 52 1.035 8.846 4.450 1.00 0.00 O ATOM 720 CB LYS A 52 -1.716 7.882 3.105 1.00 0.00 C ATOM 721 CG LYS A 52 -2.409 9.182 3.500 1.00 0.00 C ATOM 722 CD LYS A 52 -3.177 9.030 4.805 1.00 0.00 C ATOM 723 CE LYS A 52 -3.859 10.330 5.204 1.00 0.00 C ATOM 724 NZ LYS A 52 -2.918 11.271 5.873 1.00 0.00 N ATOM 725 HA LYS A 52 -0.175 9.078 2.198 1.00 0.00 H ATOM 726 HB2 LYS A 52 -2.301 7.407 2.317 1.00 0.00 H ATOM 727 HB3 LYS A 52 -1.688 7.230 3.978 1.00 0.00 H ATOM 728 HG2 LYS A 52 -1.657 9.962 3.620 1.00 0.00 H ATOM 729 HG3 LYS A 52 -3.104 9.467 2.711 1.00 0.00 H ATOM 730 HD2 LYS A 52 -3.934 8.255 4.683 1.00 0.00 H ATOM 731 HD3 LYS A 52 -2.483 8.737 5.593 1.00 0.00 H ATOM 732 HE2 LYS A 52 -4.676 10.103 5.888 1.00 0.00 H ATOM 733 HE3 LYS A 52 -4.258 10.808 4.309 1.00 0.00 H ATOM 734 HZ1 LYS A 52 -2.537 10.826 6.732 1.00 0.00 H ATOM 735 HZ2 LYS A 52 -2.138 11.499 5.224 1.00 0.00 H ATOM 736 HZ3 LYS A 52 -3.424 12.143 6.128 1.00 0.00 H ATOM 737 H LYS A 52 -0.387 6.156 1.593 1.00 0.00 H ATOM 738 N LYS A 53 1.187 6.640 3.925 1.00 0.00 N ATOM 739 CA LYS A 53 2.146 6.307 4.985 1.00 0.00 C ATOM 740 C LYS A 53 3.132 5.249 4.493 1.00 0.00 C ATOM 741 O LYS A 53 2.846 4.521 3.537 1.00 0.00 O ATOM 742 CB LYS A 53 1.421 5.807 6.247 1.00 0.00 C ATOM 743 CG LYS A 53 1.762 6.588 7.520 1.00 0.00 C ATOM 744 CD LYS A 53 0.643 7.544 7.935 1.00 0.00 C ATOM 745 CE LYS A 53 0.938 8.976 7.510 1.00 0.00 C ATOM 746 NZ LYS A 53 -0.267 9.845 7.614 1.00 0.00 N ATOM 747 HA LYS A 53 2.695 7.213 5.242 1.00 0.00 H ATOM 748 HB2 LYS A 53 0.347 5.883 6.077 1.00 0.00 H ATOM 749 HB3 LYS A 53 1.690 4.762 6.404 1.00 0.00 H ATOM 750 HG2 LYS A 53 1.936 5.879 8.330 1.00 0.00 H ATOM 751 HG3 LYS A 53 2.669 7.166 7.344 1.00 0.00 H ATOM 752 HD2 LYS A 53 -0.288 7.222 7.469 1.00 0.00 H ATOM 753 HD3 LYS A 53 0.535 7.512 9.019 1.00 0.00 H ATOM 754 HE2 LYS A 53 1.283 8.973 6.476 1.00 0.00 H ATOM 755 HE3 LYS A 53 1.721 9.380 8.152 1.00 0.00 H ATOM 756 HZ1 LYS A 53 -1.017 9.470 6.999 1.00 0.00 H ATOM 757 HZ2 LYS A 53 -0.599 9.859 8.599 1.00 0.00 H ATOM 758 HZ3 LYS A 53 -0.023 10.811 7.316 1.00 0.00 H ATOM 759 H LYS A 53 0.863 5.885 3.288 1.00 0.00 H ATOM 760 N VAL A 54 4.289 5.170 5.157 1.00 0.00 N ATOM 761 CA VAL A 54 5.341 4.217 4.786 1.00 0.00 C ATOM 762 C VAL A 54 5.941 3.546 6.026 1.00 0.00 C ATOM 763 O VAL A 54 6.265 4.208 7.015 1.00 0.00 O ATOM 764 CB VAL A 54 6.478 4.898 3.954 1.00 0.00 C ATOM 765 CG1 VAL A 54 7.624 3.933 3.650 1.00 0.00 C ATOM 766 CG2 VAL A 54 5.933 5.460 2.647 1.00 0.00 C ATOM 767 HA VAL A 54 4.870 3.457 4.163 1.00 0.00 H ATOM 768 HB VAL A 54 6.868 5.711 4.566 1.00 0.00 H ATOM 769 HG11 VAL A 54 8.054 3.576 4.586 1.00 0.00 H ATOM 770 HG12 VAL A 54 7.243 3.087 3.077 1.00 0.00 H ATOM 771 HG13 VAL A 54 8.389 4.450 3.071 1.00 0.00 H ATOM 772 HG21 VAL A 54 5.502 4.651 2.057 1.00 0.00 H ATOM 773 HG22 VAL A 54 5.165 6.202 2.864 1.00 0.00 H ATOM 774 HG23 VAL A 54 6.744 5.928 2.088 1.00 0.00 H ATOM 775 H VAL A 54 4.449 5.806 5.964 1.00 0.00 H ATOM 776 N ASP A 55 6.076 2.223 5.936 1.00 0.00 N ATOM 777 CA ASP A 55 6.656 1.405 6.996 1.00 0.00 C ATOM 778 C ASP A 55 7.839 0.606 6.431 1.00 0.00 C ATOM 779 O ASP A 55 7.701 -0.567 6.059 1.00 0.00 O ATOM 780 CB ASP A 55 5.591 0.477 7.600 1.00 0.00 C ATOM 781 CG ASP A 55 4.863 1.117 8.765 1.00 0.00 C ATOM 782 OD1 ASP A 55 3.961 1.946 8.519 1.00 0.00 O ATOM 783 OD2 ASP A 55 5.193 0.788 9.924 1.00 0.00 O ATOM 784 HA ASP A 55 7.021 2.048 7.796 1.00 0.00 H ATOM 785 HB2 ASP A 55 4.864 0.227 6.827 1.00 0.00 H ATOM 786 HB3 ASP A 55 6.077 -0.434 7.948 1.00 0.00 H ATOM 787 H ASP A 55 5.752 1.751 5.068 1.00 0.00 H ATOM 788 N SER A 56 9.004 1.266 6.358 1.00 0.00 N ATOM 789 CA SER A 56 10.233 0.658 5.822 1.00 0.00 C ATOM 790 C SER A 56 10.895 -0.319 6.810 1.00 0.00 C ATOM 791 O SER A 56 11.917 -0.937 6.489 1.00 0.00 O ATOM 792 CB SER A 56 11.227 1.759 5.434 1.00 0.00 C ATOM 793 OG SER A 56 10.630 2.701 4.561 1.00 0.00 O ATOM 794 HA SER A 56 9.949 0.079 4.943 1.00 0.00 H ATOM 795 HB2 SER A 56 12.084 1.306 4.936 1.00 0.00 H ATOM 796 HB3 SER A 56 11.561 2.271 6.336 1.00 0.00 H ATOM 797 HG SER A 56 11.292 3.399 4.327 1.00 0.00 H ATOM 798 H SER A 56 9.041 2.249 6.694 1.00 0.00 H ATOM 799 N ALA A 57 10.299 -0.462 8.000 1.00 0.00 N ATOM 800 CA ALA A 57 10.818 -1.362 9.033 1.00 0.00 C ATOM 801 C ALA A 57 10.246 -2.775 8.887 1.00 0.00 C ATOM 802 O ALA A 57 10.970 -3.763 9.045 1.00 0.00 O ATOM 803 CB ALA A 57 10.513 -0.805 10.417 1.00 0.00 C ATOM 804 HA ALA A 57 11.899 -1.429 8.907 1.00 0.00 H ATOM 805 HB1 ALA A 57 10.983 0.172 10.526 1.00 0.00 H ATOM 806 HB2 ALA A 57 9.434 -0.706 10.538 1.00 0.00 H ATOM 807 HB3 ALA A 57 10.904 -1.484 11.175 1.00 0.00 H ATOM 808 H ALA A 57 9.437 0.085 8.198 1.00 0.00 H ATOM 809 N ARG A 58 8.944 -2.857 8.584 1.00 0.00 N ATOM 810 CA ARG A 58 8.256 -4.139 8.414 1.00 0.00 C ATOM 811 C ARG A 58 7.896 -4.404 6.941 1.00 0.00 C ATOM 812 O ARG A 58 7.148 -5.339 6.635 1.00 0.00 O ATOM 813 CB ARG A 58 6.992 -4.169 9.291 1.00 0.00 C ATOM 814 CG ARG A 58 7.265 -4.436 10.771 1.00 0.00 C ATOM 815 CD ARG A 58 7.529 -3.147 11.546 1.00 0.00 C ATOM 816 NE ARG A 58 8.588 -3.317 12.546 1.00 0.00 N ATOM 817 CZ ARG A 58 8.942 -2.392 13.450 1.00 0.00 C ATOM 818 NH1 ARG A 58 8.324 -1.213 13.509 1.00 0.00 N ATOM 819 NH2 ARG A 58 9.922 -2.654 14.303 1.00 0.00 N ATOM 820 HA ARG A 58 8.935 -4.932 8.728 1.00 0.00 H ATOM 821 HB2 ARG A 58 6.491 -3.205 9.204 1.00 0.00 H ATOM 822 HB3 ARG A 58 6.334 -4.954 8.917 1.00 0.00 H ATOM 823 HG2 ARG A 58 6.399 -4.936 11.204 1.00 0.00 H ATOM 824 HG3 ARG A 58 8.138 -5.084 10.857 1.00 0.00 H ATOM 825 HD2 ARG A 58 6.612 -2.845 12.052 1.00 0.00 H ATOM 826 HD3 ARG A 58 7.828 -2.369 10.844 1.00 0.00 H ATOM 827 HE ARG A 58 9.102 -4.221 12.555 1.00 0.00 H ATOM 828 HH12 ARG A 58 8.614 -0.509 14.218 1.00 0.00 H ATOM 829 HH11 ARG A 58 7.552 -0.997 12.846 1.00 0.00 H ATOM 830 HH22 ARG A 58 10.203 -1.942 15.007 1.00 0.00 H ATOM 831 HH21 ARG A 58 10.410 -3.572 14.268 1.00 0.00 H ATOM 832 H ARG A 58 8.401 -1.978 8.465 1.00 0.00 H ATOM 833 N GLU A 59 8.452 -3.578 6.022 1.00 0.00 N ATOM 834 CA GLU A 59 8.204 -3.691 4.560 1.00 0.00 C ATOM 835 C GLU A 59 6.708 -3.546 4.230 1.00 0.00 C ATOM 836 O GLU A 59 6.128 -4.347 3.484 1.00 0.00 O ATOM 837 CB GLU A 59 8.772 -5.012 3.997 1.00 0.00 C ATOM 838 CG GLU A 59 10.291 -5.030 3.892 1.00 0.00 C ATOM 839 CD GLU A 59 10.790 -4.573 2.534 1.00 0.00 C ATOM 840 OE1 GLU A 59 10.552 -5.290 1.539 1.00 0.00 O ATOM 841 OE2 GLU A 59 11.419 -3.495 2.466 1.00 0.00 O ATOM 842 HA GLU A 59 8.729 -2.868 4.075 1.00 0.00 H ATOM 843 HB2 GLU A 59 8.462 -5.827 4.652 1.00 0.00 H ATOM 844 HB3 GLU A 59 8.356 -5.169 3.002 1.00 0.00 H ATOM 845 HG2 GLU A 59 10.701 -4.369 4.655 1.00 0.00 H ATOM 846 HG3 GLU A 59 10.641 -6.047 4.068 1.00 0.00 H ATOM 847 H GLU A 59 9.086 -2.825 6.357 1.00 0.00 H ATOM 848 N VAL A 60 6.099 -2.500 4.801 1.00 0.00 N ATOM 849 CA VAL A 60 4.673 -2.208 4.607 1.00 0.00 C ATOM 850 C VAL A 60 4.474 -0.709 4.329 1.00 0.00 C ATOM 851 O VAL A 60 5.371 0.095 4.579 1.00 0.00 O ATOM 852 CB VAL A 60 3.813 -2.609 5.850 1.00 0.00 C ATOM 853 CG1 VAL A 60 2.356 -2.847 5.469 1.00 0.00 C ATOM 854 CG2 VAL A 60 4.361 -3.843 6.568 1.00 0.00 C ATOM 855 HA VAL A 60 4.340 -2.801 3.755 1.00 0.00 H ATOM 856 HB VAL A 60 3.870 -1.765 6.537 1.00 0.00 H ATOM 857 HG11 VAL A 60 1.940 -1.935 5.041 1.00 0.00 H ATOM 858 HG12 VAL A 60 2.300 -3.652 4.736 1.00 0.00 H ATOM 859 HG13 VAL A 60 1.790 -3.124 6.358 1.00 0.00 H ATOM 860 HG21 VAL A 60 4.371 -4.688 5.879 1.00 0.00 H ATOM 861 HG22 VAL A 60 5.375 -3.641 6.912 1.00 0.00 H ATOM 862 HG23 VAL A 60 3.726 -4.077 7.423 1.00 0.00 H ATOM 863 H VAL A 60 6.659 -1.867 5.407 1.00 0.00 H ATOM 864 N CYS A 61 3.296 -0.355 3.788 1.00 0.00 N ATOM 865 CA CYS A 61 2.945 1.041 3.482 1.00 0.00 C ATOM 866 C CYS A 61 1.439 1.220 3.442 1.00 0.00 C ATOM 867 O CYS A 61 0.709 0.310 3.035 1.00 0.00 O ATOM 868 CB CYS A 61 3.524 1.491 2.138 1.00 0.00 C ATOM 869 SG CYS A 61 5.216 2.109 2.253 1.00 0.00 S ATOM 870 HA CYS A 61 3.374 1.653 4.276 1.00 0.00 H ATOM 871 HB2 CYS A 61 2.893 2.285 1.739 1.00 0.00 H ATOM 872 HB3 CYS A 61 3.512 0.641 1.455 1.00 0.00 H ATOM 873 HG CYS A 61 6.035 1.113 2.744 1.00 0.00 H ATOM 874 H CYS A 61 2.602 -1.100 3.576 1.00 0.00 H ATOM 875 N LEU A 62 0.984 2.399 3.867 1.00 0.00 N ATOM 876 CA LEU A 62 -0.434 2.729 3.845 1.00 0.00 C ATOM 877 C LEU A 62 -0.714 3.578 2.627 1.00 0.00 C ATOM 878 O LEU A 62 0.035 4.515 2.335 1.00 0.00 O ATOM 879 CB LEU A 62 -0.877 3.483 5.109 1.00 0.00 C ATOM 880 CG LEU A 62 -2.226 3.054 5.741 1.00 0.00 C ATOM 881 CD1 LEU A 62 -3.342 2.926 4.696 1.00 0.00 C ATOM 882 CD2 LEU A 62 -2.073 1.755 6.522 1.00 0.00 C ATOM 883 HA LEU A 62 -0.998 1.797 3.810 1.00 0.00 H ATOM 884 HB2 LEU A 62 -0.101 3.348 5.863 1.00 0.00 H ATOM 885 HB3 LEU A 62 -0.953 4.540 4.853 1.00 0.00 H ATOM 886 HG LEU A 62 -2.518 3.845 6.432 1.00 0.00 H ATOM 887 HD21 LEU A 62 -1.734 0.966 5.850 1.00 0.00 H ATOM 888 HD22 LEU A 62 -1.342 1.895 7.318 1.00 0.00 H ATOM 889 HD23 LEU A 62 -3.034 1.477 6.955 1.00 0.00 H ATOM 890 HD11 LEU A 62 -3.489 3.887 4.204 1.00 0.00 H ATOM 891 HD12 LEU A 62 -3.061 2.177 3.956 1.00 0.00 H ATOM 892 HD13 LEU A 62 -4.266 2.623 5.188 1.00 0.00 H ATOM 893 H LEU A 62 1.661 3.103 4.224 1.00 0.00 H ATOM 894 N VAL A 63 -1.784 3.247 1.920 1.00 0.00 N ATOM 895 CA VAL A 63 -2.137 3.961 0.706 1.00 0.00 C ATOM 896 C VAL A 63 -3.627 4.300 0.665 1.00 0.00 C ATOM 897 O VAL A 63 -4.478 3.501 1.075 1.00 0.00 O ATOM 898 CB VAL A 63 -1.687 3.170 -0.578 1.00 0.00 C ATOM 899 CG1 VAL A 63 -1.082 1.816 -0.225 1.00 0.00 C ATOM 900 CG2 VAL A 63 -2.813 2.983 -1.585 1.00 0.00 C ATOM 901 HA VAL A 63 -1.592 4.905 0.714 1.00 0.00 H ATOM 902 HB VAL A 63 -0.922 3.789 -1.047 1.00 0.00 H ATOM 903 HG11 VAL A 63 -0.209 1.964 0.410 1.00 0.00 H ATOM 904 HG12 VAL A 63 -1.821 1.216 0.306 1.00 0.00 H ATOM 905 HG13 VAL A 63 -0.785 1.303 -1.140 1.00 0.00 H ATOM 906 HG21 VAL A 63 -3.626 2.426 -1.120 1.00 0.00 H ATOM 907 HG22 VAL A 63 -3.177 3.959 -1.907 1.00 0.00 H ATOM 908 HG23 VAL A 63 -2.439 2.431 -2.447 1.00 0.00 H ATOM 909 H VAL A 63 -2.383 2.460 2.241 1.00 0.00 H ATOM 910 N GLN A 64 -3.908 5.507 0.164 1.00 0.00 N ATOM 911 CA GLN A 64 -5.271 6.002 -0.001 1.00 0.00 C ATOM 912 C GLN A 64 -5.731 5.650 -1.411 1.00 0.00 C ATOM 913 O GLN A 64 -5.071 6.005 -2.393 1.00 0.00 O ATOM 914 CB GLN A 64 -5.336 7.520 0.227 1.00 0.00 C ATOM 915 CG GLN A 64 -6.715 8.039 0.657 1.00 0.00 C ATOM 916 CD GLN A 64 -6.658 8.980 1.852 1.00 0.00 C ATOM 917 OE1 GLN A 64 -5.841 8.813 2.761 1.00 0.00 O ATOM 918 NE2 GLN A 64 -7.532 9.978 1.856 1.00 0.00 N ATOM 919 HA GLN A 64 -5.926 5.538 0.736 1.00 0.00 H ATOM 920 HB2 GLN A 64 -4.617 7.779 1.004 1.00 0.00 H ATOM 921 HB3 GLN A 64 -5.059 8.017 -0.703 1.00 0.00 H ATOM 922 HG2 GLN A 64 -7.162 8.572 -0.182 1.00 0.00 H ATOM 923 HG3 GLN A 64 -7.340 7.185 0.918 1.00 0.00 H ATOM 924 HE22 GLN A 64 -8.204 10.083 1.070 1.00 0.00 H ATOM 925 HE21 GLN A 64 -7.545 10.655 2.645 1.00 0.00 H ATOM 926 H GLN A 64 -3.119 6.122 -0.121 1.00 0.00 H ATOM 927 N PHE A 65 -6.857 4.958 -1.500 1.00 0.00 N ATOM 928 CA PHE A 65 -7.378 4.496 -2.782 1.00 0.00 C ATOM 929 C PHE A 65 -8.399 5.455 -3.390 1.00 0.00 C ATOM 930 O PHE A 65 -8.935 6.331 -2.704 1.00 0.00 O ATOM 931 CB PHE A 65 -7.944 3.087 -2.605 1.00 0.00 C ATOM 932 CG PHE A 65 -6.875 2.079 -2.254 1.00 0.00 C ATOM 933 CD1 PHE A 65 -6.482 1.888 -0.938 1.00 0.00 C ATOM 934 CD2 PHE A 65 -6.245 1.349 -3.240 1.00 0.00 C ATOM 935 CE1 PHE A 65 -5.490 0.985 -0.620 1.00 0.00 C ATOM 936 CE2 PHE A 65 -5.251 0.448 -2.927 1.00 0.00 C ATOM 937 CZ PHE A 65 -4.876 0.265 -1.616 1.00 0.00 C ATOM 938 HA PHE A 65 -6.558 4.468 -3.499 1.00 0.00 H ATOM 939 HB2 PHE A 65 -8.685 3.105 -1.806 1.00 0.00 H ATOM 940 HB3 PHE A 65 -8.422 2.782 -3.536 1.00 0.00 H ATOM 941 HD2 PHE A 65 -6.537 1.487 -4.281 1.00 0.00 H ATOM 942 HE2 PHE A 65 -4.762 -0.120 -3.718 1.00 0.00 H ATOM 943 HZ PHE A 65 -4.092 -0.451 -1.368 1.00 0.00 H ATOM 944 HE1 PHE A 65 -5.194 0.843 0.419 1.00 0.00 H ATOM 945 HD1 PHE A 65 -6.964 2.459 -0.145 1.00 0.00 H ATOM 946 H PHE A 65 -7.385 4.738 -0.631 1.00 0.00 H ATOM 947 N GLU A 66 -8.649 5.268 -4.702 1.00 0.00 N ATOM 948 CA GLU A 66 -9.578 6.098 -5.489 1.00 0.00 C ATOM 949 C GLU A 66 -10.958 6.241 -4.838 1.00 0.00 C ATOM 950 O GLU A 66 -11.509 7.346 -4.797 1.00 0.00 O ATOM 951 CB GLU A 66 -9.739 5.507 -6.890 1.00 0.00 C ATOM 952 CG GLU A 66 -9.836 6.547 -8.007 1.00 0.00 C ATOM 953 CD GLU A 66 -11.149 7.326 -8.025 1.00 0.00 C ATOM 954 OE1 GLU A 66 -12.215 6.722 -7.767 1.00 0.00 O ATOM 955 OE2 GLU A 66 -11.108 8.541 -8.307 1.00 0.00 O ATOM 956 HA GLU A 66 -9.141 7.095 -5.539 1.00 0.00 H ATOM 957 HB2 GLU A 66 -8.879 4.869 -7.092 1.00 0.00 H ATOM 958 HB3 GLU A 66 -10.648 4.905 -6.904 1.00 0.00 H ATOM 959 HG2 GLU A 66 -9.018 7.257 -7.885 1.00 0.00 H ATOM 960 HG3 GLU A 66 -9.730 6.034 -8.963 1.00 0.00 H ATOM 961 H GLU A 66 -8.156 4.491 -5.188 1.00 0.00 H ATOM 962 N ASP A 67 -11.511 5.125 -4.334 1.00 0.00 N ATOM 963 CA ASP A 67 -12.831 5.153 -3.696 1.00 0.00 C ATOM 964 C ASP A 67 -12.732 5.491 -2.188 1.00 0.00 C ATOM 965 O ASP A 67 -13.517 4.993 -1.371 1.00 0.00 O ATOM 966 CB ASP A 67 -13.558 3.818 -3.949 1.00 0.00 C ATOM 967 CG ASP A 67 -15.056 3.889 -3.689 1.00 0.00 C ATOM 968 OD1 ASP A 67 -15.732 4.721 -4.330 1.00 0.00 O ATOM 969 OD2 ASP A 67 -15.548 3.111 -2.846 1.00 0.00 O ATOM 970 HA ASP A 67 -13.421 5.952 -4.145 1.00 0.00 H ATOM 971 HB2 ASP A 67 -13.400 3.529 -4.988 1.00 0.00 H ATOM 972 HB3 ASP A 67 -13.128 3.060 -3.294 1.00 0.00 H ATOM 973 H ASP A 67 -10.994 4.225 -4.398 1.00 0.00 H ATOM 974 N ASP A 68 -11.755 6.364 -1.831 1.00 0.00 N ATOM 975 CA ASP A 68 -11.529 6.826 -0.440 1.00 0.00 C ATOM 976 C ASP A 68 -11.262 5.663 0.532 1.00 0.00 C ATOM 977 O ASP A 68 -11.569 5.747 1.730 1.00 0.00 O ATOM 978 CB ASP A 68 -12.709 7.690 0.051 1.00 0.00 C ATOM 979 CG ASP A 68 -12.730 9.063 -0.593 1.00 0.00 C ATOM 980 OD1 ASP A 68 -12.019 9.962 -0.099 1.00 0.00 O ATOM 981 OD2 ASP A 68 -13.459 9.239 -1.593 1.00 0.00 O ATOM 982 HA ASP A 68 -10.628 7.440 -0.454 1.00 0.00 H ATOM 983 HB2 ASP A 68 -13.641 7.177 -0.187 1.00 0.00 H ATOM 984 HB3 ASP A 68 -12.628 7.811 1.131 1.00 0.00 H ATOM 985 H ASP A 68 -11.129 6.730 -2.576 1.00 0.00 H ATOM 986 N SER A 69 -10.671 4.586 0.004 1.00 0.00 N ATOM 987 CA SER A 69 -10.345 3.407 0.803 1.00 0.00 C ATOM 988 C SER A 69 -8.920 3.495 1.332 1.00 0.00 C ATOM 989 O SER A 69 -7.975 3.612 0.558 1.00 0.00 O ATOM 990 CB SER A 69 -10.509 2.125 -0.032 1.00 0.00 C ATOM 991 OG SER A 69 -11.540 1.305 0.492 1.00 0.00 O ATOM 992 HA SER A 69 -11.034 3.371 1.647 1.00 0.00 H ATOM 993 HB2 SER A 69 -9.571 1.570 -0.021 1.00 0.00 H ATOM 994 HB3 SER A 69 -10.756 2.397 -1.058 1.00 0.00 H ATOM 995 HG SER A 69 -11.625 0.489 -0.062 1.00 0.00 H ATOM 996 H SER A 69 -10.436 4.588 -1.009 1.00 0.00 H ATOM 997 N GLN A 70 -8.777 3.490 2.657 1.00 0.00 N ATOM 998 CA GLN A 70 -7.460 3.512 3.280 1.00 0.00 C ATOM 999 C GLN A 70 -7.136 2.097 3.729 1.00 0.00 C ATOM 1000 O GLN A 70 -7.547 1.647 4.806 1.00 0.00 O ATOM 1001 CB GLN A 70 -7.398 4.524 4.425 1.00 0.00 C ATOM 1002 CG GLN A 70 -6.972 5.906 3.948 1.00 0.00 C ATOM 1003 CD GLN A 70 -7.553 7.037 4.775 1.00 0.00 C ATOM 1004 OE1 GLN A 70 -8.762 7.101 5.011 1.00 0.00 O ATOM 1005 NE2 GLN A 70 -6.691 7.945 5.214 1.00 0.00 N ATOM 1006 HA GLN A 70 -6.706 3.842 2.565 1.00 0.00 H ATOM 1007 HB2 GLN A 70 -8.385 4.599 4.882 1.00 0.00 H ATOM 1008 HB3 GLN A 70 -6.681 4.172 5.167 1.00 0.00 H ATOM 1009 HG2 GLN A 70 -5.885 5.967 3.994 1.00 0.00 H ATOM 1010 HG3 GLN A 70 -7.298 6.031 2.915 1.00 0.00 H ATOM 1011 HE22 GLN A 70 -5.679 7.852 4.991 1.00 0.00 H ATOM 1012 HE21 GLN A 70 -7.027 8.750 5.781 1.00 0.00 H ATOM 1013 H GLN A 70 -9.624 3.470 3.260 1.00 0.00 H ATOM 1014 N PHE A 71 -6.402 1.406 2.864 1.00 0.00 N ATOM 1015 CA PHE A 71 -6.062 0.007 3.066 1.00 0.00 C ATOM 1016 C PHE A 71 -4.557 -0.203 3.200 1.00 0.00 C ATOM 1017 O PHE A 71 -3.768 0.321 2.407 1.00 0.00 O ATOM 1018 CB PHE A 71 -6.638 -0.781 1.872 1.00 0.00 C ATOM 1019 CG PHE A 71 -7.897 -1.593 2.132 1.00 0.00 C ATOM 1020 CD1 PHE A 71 -8.722 -1.374 3.238 1.00 0.00 C ATOM 1021 CD2 PHE A 71 -8.259 -2.582 1.234 1.00 0.00 C ATOM 1022 CE1 PHE A 71 -9.864 -2.130 3.430 1.00 0.00 C ATOM 1023 CE2 PHE A 71 -9.400 -3.337 1.424 1.00 0.00 C ATOM 1024 CZ PHE A 71 -10.201 -3.113 2.525 1.00 0.00 C ATOM 1025 HA PHE A 71 -6.492 -0.349 4.002 1.00 0.00 H ATOM 1026 HB2 PHE A 71 -6.864 -0.065 1.082 1.00 0.00 H ATOM 1027 HB3 PHE A 71 -5.866 -1.469 1.527 1.00 0.00 H ATOM 1028 HD2 PHE A 71 -7.633 -2.768 0.362 1.00 0.00 H ATOM 1029 HE2 PHE A 71 -9.668 -4.110 0.704 1.00 0.00 H ATOM 1030 HZ PHE A 71 -11.098 -3.712 2.679 1.00 0.00 H ATOM 1031 HE1 PHE A 71 -10.498 -1.948 4.298 1.00 0.00 H ATOM 1032 HD1 PHE A 71 -8.462 -0.598 3.958 1.00 0.00 H ATOM 1033 H PHE A 71 -6.057 1.885 2.008 1.00 0.00 H ATOM 1034 N LEU A 72 -4.180 -0.983 4.226 1.00 0.00 N ATOM 1035 CA LEU A 72 -2.781 -1.309 4.524 1.00 0.00 C ATOM 1036 C LEU A 72 -2.272 -2.403 3.572 1.00 0.00 C ATOM 1037 O LEU A 72 -2.807 -3.517 3.554 1.00 0.00 O ATOM 1038 CB LEU A 72 -2.678 -1.766 5.991 1.00 0.00 C ATOM 1039 CG LEU A 72 -1.260 -1.985 6.535 1.00 0.00 C ATOM 1040 CD1 LEU A 72 -1.101 -1.320 7.892 1.00 0.00 C ATOM 1041 CD2 LEU A 72 -0.955 -3.473 6.634 1.00 0.00 C ATOM 1042 HA LEU A 72 -2.158 -0.427 4.378 1.00 0.00 H ATOM 1043 HB2 LEU A 72 -3.159 -1.008 6.610 1.00 0.00 H ATOM 1044 HB3 LEU A 72 -3.220 -2.707 6.085 1.00 0.00 H ATOM 1045 HG LEU A 72 -0.551 -1.530 5.844 1.00 0.00 H ATOM 1046 HD21 LEU A 72 -1.671 -3.945 7.306 1.00 0.00 H ATOM 1047 HD22 LEU A 72 -1.031 -3.925 5.645 1.00 0.00 H ATOM 1048 HD23 LEU A 72 0.054 -3.611 7.021 1.00 0.00 H ATOM 1049 HD11 LEU A 72 -1.282 -0.250 7.794 1.00 0.00 H ATOM 1050 HD12 LEU A 72 -1.819 -1.748 8.591 1.00 0.00 H ATOM 1051 HD13 LEU A 72 -0.089 -1.487 8.261 1.00 0.00 H ATOM 1052 H LEU A 72 -4.919 -1.377 4.842 1.00 0.00 H ATOM 1053 N VAL A 73 -1.249 -2.067 2.783 1.00 0.00 N ATOM 1054 CA VAL A 73 -0.675 -3.017 1.811 1.00 0.00 C ATOM 1055 C VAL A 73 0.802 -3.286 2.070 1.00 0.00 C ATOM 1056 O VAL A 73 1.529 -2.427 2.576 1.00 0.00 O ATOM 1057 CB VAL A 73 -0.819 -2.549 0.335 1.00 0.00 C ATOM 1058 CG1 VAL A 73 -1.025 -3.748 -0.590 1.00 0.00 C ATOM 1059 CG2 VAL A 73 -1.943 -1.527 0.164 1.00 0.00 C ATOM 1060 HA VAL A 73 -1.254 -3.929 1.954 1.00 0.00 H ATOM 1061 HB VAL A 73 0.110 -2.051 0.058 1.00 0.00 H ATOM 1062 HG11 VAL A 73 -0.168 -4.417 -0.512 1.00 0.00 H ATOM 1063 HG12 VAL A 73 -1.930 -4.280 -0.297 1.00 0.00 H ATOM 1064 HG13 VAL A 73 -1.124 -3.399 -1.618 1.00 0.00 H ATOM 1065 HG21 VAL A 73 -2.888 -1.973 0.474 1.00 0.00 H ATOM 1066 HG22 VAL A 73 -1.734 -0.652 0.780 1.00 0.00 H ATOM 1067 HG23 VAL A 73 -2.006 -1.230 -0.883 1.00 0.00 H ATOM 1068 H VAL A 73 -0.846 -1.111 2.855 1.00 0.00 H ATOM 1069 N LEU A 74 1.222 -4.502 1.695 1.00 0.00 N ATOM 1070 CA LEU A 74 2.608 -4.946 1.831 1.00 0.00 C ATOM 1071 C LEU A 74 3.394 -4.595 0.573 1.00 0.00 C ATOM 1072 O LEU A 74 2.832 -4.579 -0.525 1.00 0.00 O ATOM 1073 CB LEU A 74 2.676 -6.474 2.058 1.00 0.00 C ATOM 1074 CG LEU A 74 1.987 -7.051 3.320 1.00 0.00 C ATOM 1075 CD1 LEU A 74 2.285 -6.220 4.560 1.00 0.00 C ATOM 1076 CD2 LEU A 74 0.481 -7.186 3.113 1.00 0.00 C ATOM 1077 HA LEU A 74 3.042 -4.439 2.693 1.00 0.00 H ATOM 1078 HB2 LEU A 74 2.219 -6.952 1.191 1.00 0.00 H ATOM 1079 HB3 LEU A 74 3.730 -6.748 2.109 1.00 0.00 H ATOM 1080 HG LEU A 74 2.402 -8.046 3.482 1.00 0.00 H ATOM 1081 HD21 LEU A 74 0.055 -6.205 2.901 1.00 0.00 H ATOM 1082 HD22 LEU A 74 0.289 -7.855 2.274 1.00 0.00 H ATOM 1083 HD23 LEU A 74 0.026 -7.593 4.016 1.00 0.00 H ATOM 1084 HD11 LEU A 74 3.361 -6.204 4.735 1.00 0.00 H ATOM 1085 HD12 LEU A 74 1.925 -5.202 4.409 1.00 0.00 H ATOM 1086 HD13 LEU A 74 1.782 -6.661 5.421 1.00 0.00 H ATOM 1087 H LEU A 74 0.529 -5.161 1.288 1.00 0.00 H ATOM 1088 N TRP A 75 4.700 -4.344 0.734 1.00 0.00 N ATOM 1089 CA TRP A 75 5.582 -3.994 -0.398 1.00 0.00 C ATOM 1090 C TRP A 75 5.656 -5.115 -1.452 1.00 0.00 C ATOM 1091 O TRP A 75 6.120 -4.885 -2.573 1.00 0.00 O ATOM 1092 CB TRP A 75 6.997 -3.653 0.101 1.00 0.00 C ATOM 1093 CG TRP A 75 7.108 -2.362 0.884 1.00 0.00 C ATOM 1094 CD1 TRP A 75 6.109 -1.700 1.555 1.00 0.00 C ATOM 1095 CD2 TRP A 75 8.301 -1.584 1.091 1.00 0.00 C ATOM 1096 NE1 TRP A 75 6.606 -0.568 2.145 1.00 0.00 N ATOM 1097 CE2 TRP A 75 7.944 -0.473 1.880 1.00 0.00 C ATOM 1098 CE3 TRP A 75 9.636 -1.714 0.683 1.00 0.00 C ATOM 1099 CZ2 TRP A 75 8.867 0.493 2.269 1.00 0.00 C ATOM 1100 CZ3 TRP A 75 10.551 -0.752 1.072 1.00 0.00 C ATOM 1101 CH2 TRP A 75 10.162 0.339 1.859 1.00 0.00 C ATOM 1102 HA TRP A 75 5.145 -3.118 -0.877 1.00 0.00 H ATOM 1103 HB2 TRP A 75 7.335 -4.467 0.742 1.00 0.00 H ATOM 1104 HB3 TRP A 75 7.653 -3.580 -0.767 1.00 0.00 H ATOM 1105 HE1 TRP A 75 6.053 0.111 2.706 1.00 0.00 H ATOM 1106 HD1 TRP A 75 5.071 -2.028 1.610 1.00 0.00 H ATOM 1107 HZ2 TRP A 75 8.567 1.344 2.880 1.00 0.00 H ATOM 1108 HH2 TRP A 75 10.906 1.080 2.150 1.00 0.00 H ATOM 1109 HZ3 TRP A 75 11.592 -0.845 0.761 1.00 0.00 H ATOM 1110 HE3 TRP A 75 9.948 -2.559 0.069 1.00 0.00 H ATOM 1111 H TRP A 75 5.107 -4.397 1.689 1.00 0.00 H ATOM 1112 N LYS A 76 5.194 -6.323 -1.080 1.00 0.00 N ATOM 1113 CA LYS A 76 5.189 -7.479 -1.993 1.00 0.00 C ATOM 1114 C LYS A 76 3.917 -7.508 -2.858 1.00 0.00 C ATOM 1115 O LYS A 76 3.952 -7.972 -4.003 1.00 0.00 O ATOM 1116 CB LYS A 76 5.345 -8.813 -1.226 1.00 0.00 C ATOM 1117 CG LYS A 76 4.541 -8.922 0.069 1.00 0.00 C ATOM 1118 CD LYS A 76 4.632 -10.318 0.667 1.00 0.00 C ATOM 1119 CE LYS A 76 3.911 -10.403 2.004 1.00 0.00 C ATOM 1120 NZ LYS A 76 4.446 -11.502 2.855 1.00 0.00 N ATOM 1121 HA LYS A 76 6.049 -7.364 -2.652 1.00 0.00 H ATOM 1122 HB2 LYS A 76 5.030 -9.620 -1.887 1.00 0.00 H ATOM 1123 HB3 LYS A 76 6.399 -8.938 -0.979 1.00 0.00 H ATOM 1124 HG2 LYS A 76 4.930 -8.202 0.789 1.00 0.00 H ATOM 1125 HG3 LYS A 76 3.496 -8.694 -0.142 1.00 0.00 H ATOM 1126 HD2 LYS A 76 4.181 -11.029 -0.024 1.00 0.00 H ATOM 1127 HD3 LYS A 76 5.682 -10.572 0.814 1.00 0.00 H ATOM 1128 HE2 LYS A 76 2.851 -10.582 1.822 1.00 0.00 H ATOM 1129 HE3 LYS A 76 4.034 -9.457 2.531 1.00 0.00 H ATOM 1130 HZ1 LYS A 76 4.327 -12.410 2.362 1.00 0.00 H ATOM 1131 HZ2 LYS A 76 5.456 -11.336 3.039 1.00 0.00 H ATOM 1132 HZ3 LYS A 76 3.927 -11.525 3.756 1.00 0.00 H ATOM 1133 H LYS A 76 4.828 -6.445 -0.114 1.00 0.00 H ATOM 1134 N ASP A 77 2.803 -7.011 -2.299 1.00 0.00 N ATOM 1135 CA ASP A 77 1.516 -6.960 -3.008 1.00 0.00 C ATOM 1136 C ASP A 77 1.325 -5.623 -3.734 1.00 0.00 C ATOM 1137 O ASP A 77 0.281 -5.388 -4.354 1.00 0.00 O ATOM 1138 CB ASP A 77 0.364 -7.179 -2.023 1.00 0.00 C ATOM 1139 CG ASP A 77 -0.152 -8.604 -2.041 1.00 0.00 C ATOM 1140 OD1 ASP A 77 0.539 -9.494 -1.501 1.00 0.00 O ATOM 1141 OD2 ASP A 77 -1.247 -8.833 -2.597 1.00 0.00 O ATOM 1142 HA ASP A 77 1.518 -7.755 -3.754 1.00 0.00 H ATOM 1143 HB2 ASP A 77 0.715 -6.946 -1.017 1.00 0.00 H ATOM 1144 HB3 ASP A 77 -0.453 -6.508 -2.286 1.00 0.00 H ATOM 1145 H ASP A 77 2.852 -6.648 -1.326 1.00 0.00 H ATOM 1146 N ILE A 78 2.345 -4.763 -3.667 1.00 0.00 N ATOM 1147 CA ILE A 78 2.290 -3.442 -4.290 1.00 0.00 C ATOM 1148 C ILE A 78 3.064 -3.411 -5.614 1.00 0.00 C ATOM 1149 O ILE A 78 4.161 -3.964 -5.724 1.00 0.00 O ATOM 1150 CB ILE A 78 2.813 -2.345 -3.314 1.00 0.00 C ATOM 1151 CG1 ILE A 78 1.842 -2.213 -2.126 1.00 0.00 C ATOM 1152 CG2 ILE A 78 2.980 -0.995 -4.021 1.00 0.00 C ATOM 1153 CD1 ILE A 78 2.438 -1.579 -0.891 1.00 0.00 C ATOM 1154 HA ILE A 78 1.245 -3.228 -4.515 1.00 0.00 H ATOM 1155 HB ILE A 78 3.796 -2.646 -2.952 1.00 0.00 H ATOM 1156 HG12 ILE A 78 0.995 -1.605 -2.445 1.00 0.00 H ATOM 1157 HG13 ILE A 78 1.492 -3.211 -1.861 1.00 0.00 H ATOM 1158 HD11 ILE A 78 3.279 -2.180 -0.546 1.00 0.00 H ATOM 1159 HD12 ILE A 78 2.782 -0.573 -1.131 1.00 0.00 H ATOM 1160 HD13 ILE A 78 1.681 -1.528 -0.109 1.00 0.00 H ATOM 1161 HG21 ILE A 78 3.695 -1.100 -4.837 1.00 0.00 H ATOM 1162 HG22 ILE A 78 2.017 -0.673 -4.418 1.00 0.00 H ATOM 1163 HG23 ILE A 78 3.346 -0.256 -3.308 1.00 0.00 H ATOM 1164 H ILE A 78 3.206 -5.042 -3.155 1.00 0.00 H ATOM 1165 N SER A 79 2.457 -2.748 -6.604 1.00 0.00 N ATOM 1166 CA SER A 79 3.041 -2.581 -7.932 1.00 0.00 C ATOM 1167 C SER A 79 2.957 -1.100 -8.340 1.00 0.00 C ATOM 1168 O SER A 79 1.866 -0.617 -8.646 1.00 0.00 O ATOM 1169 CB SER A 79 2.310 -3.458 -8.958 1.00 0.00 C ATOM 1170 OG SER A 79 3.219 -4.026 -9.886 1.00 0.00 O ATOM 1171 HA SER A 79 4.085 -2.892 -7.905 1.00 0.00 H ATOM 1172 HB2 SER A 79 1.586 -2.847 -9.497 1.00 0.00 H ATOM 1173 HB3 SER A 79 1.789 -4.259 -8.434 1.00 0.00 H ATOM 1174 HG SER A 79 2.721 -4.585 -10.534 1.00 0.00 H ATOM 1175 H SER A 79 1.523 -2.331 -6.419 1.00 0.00 H ATOM 1176 N PRO A 80 4.093 -0.331 -8.337 1.00 0.00 N ATOM 1177 CA PRO A 80 4.077 1.104 -8.709 1.00 0.00 C ATOM 1178 C PRO A 80 3.410 1.371 -10.066 1.00 0.00 C ATOM 1179 O PRO A 80 3.828 0.831 -11.097 1.00 0.00 O ATOM 1180 CB PRO A 80 5.561 1.481 -8.746 1.00 0.00 C ATOM 1181 CG PRO A 80 6.213 0.524 -7.811 1.00 0.00 C ATOM 1182 CD PRO A 80 5.461 -0.771 -7.961 1.00 0.00 C ATOM 1183 HA PRO A 80 3.491 1.693 -8.003 1.00 0.00 H ATOM 1184 HD3 PRO A 80 5.901 -1.390 -8.743 1.00 0.00 H ATOM 1185 HD2 PRO A 80 5.449 -1.327 -7.023 1.00 0.00 H ATOM 1186 HG3 PRO A 80 6.143 0.887 -6.786 1.00 0.00 H ATOM 1187 HG2 PRO A 80 7.261 0.388 -8.077 1.00 0.00 H ATOM 1188 HB2 PRO A 80 5.962 1.369 -9.753 1.00 0.00 H ATOM 1189 HB3 PRO A 80 5.706 2.508 -8.410 1.00 0.00 H ATOM 1190 N ALA A 81 2.361 2.203 -10.036 1.00 0.00 N ATOM 1191 CA ALA A 81 1.599 2.568 -11.230 1.00 0.00 C ATOM 1192 C ALA A 81 2.277 3.706 -12.002 1.00 0.00 C ATOM 1193 O ALA A 81 2.121 4.887 -11.664 1.00 0.00 O ATOM 1194 CB ALA A 81 0.176 2.957 -10.839 1.00 0.00 C ATOM 1195 HA ALA A 81 1.563 1.701 -11.890 1.00 0.00 H ATOM 1196 HB1 ALA A 81 -0.308 2.113 -10.347 1.00 0.00 H ATOM 1197 HB2 ALA A 81 0.207 3.807 -10.158 1.00 0.00 H ATOM 1198 HB3 ALA A 81 -0.384 3.227 -11.734 1.00 0.00 H ATOM 1199 H ALA A 81 2.075 2.608 -9.122 1.00 0.00 H ATOM 1200 N ALA A 82 3.049 3.331 -13.030 1.00 0.00 N ATOM 1201 CA ALA A 82 3.760 4.301 -13.867 1.00 0.00 C ATOM 1202 C ALA A 82 3.743 3.884 -15.338 1.00 0.00 C ATOM 1203 O ALA A 82 3.490 4.711 -16.219 1.00 0.00 O ATOM 1204 CB ALA A 82 5.196 4.483 -13.382 1.00 0.00 C ATOM 1205 HA ALA A 82 3.240 5.255 -13.781 1.00 0.00 H ATOM 1206 HB1 ALA A 82 5.188 4.844 -12.353 1.00 0.00 H ATOM 1207 HB2 ALA A 82 5.718 3.527 -13.429 1.00 0.00 H ATOM 1208 HB3 ALA A 82 5.704 5.207 -14.018 1.00 0.00 H ATOM 1209 H ALA A 82 3.147 2.317 -13.241 1.00 0.00 H ATOM 1210 N LEU A 83 4.019 2.596 -15.591 1.00 0.00 N ATOM 1211 CA LEU A 83 4.042 2.052 -16.953 1.00 0.00 C ATOM 1212 C LEU A 83 3.222 0.766 -17.043 1.00 0.00 C ATOM 1213 CB LEU A 83 5.490 1.800 -17.422 1.00 0.00 C ATOM 1214 CG LEU A 83 6.414 1.079 -16.426 1.00 0.00 C ATOM 1215 CD1 LEU A 83 7.324 0.102 -17.153 1.00 0.00 C ATOM 1216 CD2 LEU A 83 7.234 2.088 -15.634 1.00 0.00 C ATOM 1217 HA LEU A 83 3.591 2.793 -17.614 1.00 0.00 H ATOM 1218 HB2 LEU A 83 5.445 1.198 -18.329 1.00 0.00 H ATOM 1219 HB3 LEU A 83 5.938 2.767 -17.651 1.00 0.00 H ATOM 1220 HG LEU A 83 5.795 0.515 -15.728 1.00 0.00 H ATOM 1221 HD21 LEU A 83 7.842 2.678 -16.320 1.00 0.00 H ATOM 1222 HD22 LEU A 83 6.563 2.747 -15.083 1.00 0.00 H ATOM 1223 HD23 LEU A 83 7.882 1.559 -14.935 1.00 0.00 H ATOM 1224 HD11 LEU A 83 6.717 -0.639 -17.674 1.00 0.00 H ATOM 1225 HD12 LEU A 83 7.935 0.645 -17.874 1.00 0.00 H ATOM 1226 HD13 LEU A 83 7.970 -0.398 -16.431 1.00 0.00 H ATOM 1227 H LEU A 83 4.224 1.961 -14.793 1.00 0.00 H TER 1228 LEU A 83 HETATM 1229 N ALA A 1 -19.492 -4.199 -16.416 1.00 0.24 N HETATM 1230 CA ALA A 1 -18.309 -3.307 -16.531 1.00 0.06 C HETATM 1231 C ALA A 1 -18.431 -2.111 -15.593 1.00 0.23 C HETATM 1232 O ALA A 1 -19.507 -1.517 -15.473 1.00 -0.39 O HETATM 1233 N ALA A 1 -17.320 -1.771 -14.934 1.00 -0.26 N HETATM 1234 CA ALA A 1 -17.278 -0.645 -13.999 1.00 0.16 C HETATM 1235 C ALA A 1 -16.332 0.452 -14.502 1.00 0.21 C HETATM 1236 O ALA A 1 -15.327 0.162 -15.158 1.00 -0.39 O HETATM 1237 N ALA A 1 -16.672 1.705 -14.183 1.00 -0.27 N HETATM 1238 CA ALA A 1 -15.862 2.842 -14.599 1.00 0.12 C HETATM 1239 C ALA A 1 -16.228 4.111 -13.855 1.00 0.20 C HETATM 1240 O ALA A 1 -16.943 4.963 -14.391 1.00 -0.39 O HETATM 1241 N ALA A 1 -15.732 4.228 -12.620 1.00 -0.27 N HETATM 1242 CA ALA A 1 -16.011 5.399 -11.798 1.00 0.12 C HETATM 1243 C ALA A 1 -15.146 5.469 -10.550 1.00 0.20 C HETATM 1244 O ALA A 1 -14.833 6.563 -10.071 1.00 -0.39 O HETATM 1245 N ALA A 1 -14.761 4.297 -10.026 1.00 -0.26 N HETATM 1246 CA ALA A 1 -13.927 4.211 -8.821 1.00 0.13 C HETATM 1247 C ALA A 1 -12.428 4.109 -9.190 1.00 0.20 C HETATM 1248 O ALA A 1 -11.920 4.967 -9.918 1.00 -0.39 O HETATM 1249 N ALA A 1 -11.727 3.069 -8.694 1.00 -0.26 N HETATM 1250 CA ALA A 1 -10.289 2.868 -8.976 1.00 0.13 C HETATM 1251 CB ALA A 1 -9.672 1.793 -8.058 1.00 -0.01 C HETATM 1252 CG ALA A 1 -10.642 0.735 -7.560 1.00 -0.04 C HETATM 1253 CD ALA A 1 -9.946 -0.221 -6.612 1.00 -0.01 C HETATM 1254 CE ALA A 1 -10.873 -0.672 -5.468 1.00 -0.03 C HETATM 1255 NZ ALA A 1 -10.720 0.084 -4.150 1.00 0.24 N HETATM 1256 CM1 ALA A 1 -9.339 0.039 -3.607 1.00 -0.04 C HETATM 1257 H40 ALA A 1 -9.298 0.600 -2.662 1.00 0.08 H HETATM 1258 H41 ALA A 1 -8.645 0.491 -4.331 1.00 0.08 H HETATM 1259 H42 ALA A 1 -9.050 -1.007 -3.425 1.00 0.08 H HETATM 1260 CM2 ALA A 1 -11.632 -0.567 -3.179 1.00 -0.04 C HETATM 1261 H43 ALA A 1 -12.661 -0.541 -3.568 1.00 0.08 H HETATM 1262 H44 ALA A 1 -11.589 -0.031 -2.220 1.00 0.08 H HETATM 1263 H45 ALA A 1 -11.323 -1.612 -3.029 1.00 0.08 H HETATM 1264 CM3 ALA A 1 -11.087 1.515 -4.283 1.00 -0.04 C HETATM 1265 H46 ALA A 1 -10.412 2.001 -5.003 1.00 0.08 H HETATM 1266 H47 ALA A 1 -10.997 2.009 -3.304 1.00 0.08 H HETATM 1267 H48 ALA A 1 -12.124 1.596 -4.640 1.00 0.08 H HETATM 1268 H38 ALA A 1 -10.674 -1.736 -5.272 1.00 0.08 H HETATM 1269 H39 ALA A 1 -11.912 -0.550 -5.808 1.00 0.08 H HETATM 1270 H36 ALA A 1 -9.068 0.282 -6.181 1.00 0.03 H HETATM 1271 H37 ALA A 1 -9.620 -1.107 -7.176 1.00 0.03 H HETATM 1272 H34 ALA A 1 -11.034 0.171 -8.419 1.00 0.03 H HETATM 1273 H35 ALA A 1 -11.473 1.226 -7.033 1.00 0.03 H HETATM 1274 H32 ALA A 1 -9.242 2.300 -7.182 1.00 0.03 H HETATM 1275 H33 ALA A 1 -8.872 1.286 -8.617 1.00 0.03 H HETATM 1276 C ALA A 1 -10.027 2.519 -10.440 1.00 0.20 C HETATM 1277 O ALA A 1 -10.813 1.812 -11.075 1.00 -0.39 O HETATM 1278 N ALA A 1 -8.904 3.034 -10.952 1.00 -0.26 N HETATM 1279 CA ALA A 1 -8.497 2.824 -12.344 1.00 0.13 C HETATM 1280 C ALA A 1 -7.046 2.275 -12.424 1.00 0.21 C HETATM 1281 O ALA A 1 -6.140 2.968 -12.905 1.00 -0.39 O HETATM 1282 N ALA A 1 -6.802 1.012 -11.945 1.00 -0.25 N HETATM 1283 CA ALA A 1 -5.460 0.372 -11.961 1.00 0.13 C HETATM 1284 C ALA A 1 -4.948 0.057 -13.378 1.00 0.20 C HETATM 1285 O ALA A 1 -5.265 0.779 -14.328 1.00 -0.39 O HETATM 1286 N ALA A 1 -4.151 -1.026 -13.504 1.00 -0.26 N HETATM 1287 CA ALA A 1 -3.569 -1.463 -14.786 1.00 0.14 C HETATM 1288 C ALA A 1 -4.649 -1.682 -15.866 1.00 0.21 C HETATM 1289 O ALA A 1 -4.476 -1.280 -17.021 1.00 -0.39 O HETATM 1290 N ALA A 1 -5.755 -2.322 -15.459 1.00 -0.26 N HETATM 1291 CA ALA A 1 -6.889 -2.612 -16.341 1.00 0.13 C HETATM 1292 C ALA A 1 -8.174 -2.743 -15.527 1.00 0.20 C HETATM 1293 O ALA A 1 -9.248 -2.336 -15.981 1.00 -0.39 O HETATM 1294 N ALA A 1 -8.048 -3.316 -14.319 1.00 -0.28 N HETATM 1295 CA ALA A 1 -9.191 -3.516 -13.419 1.00 0.05 C HETATM 1296 C ALA A 1 -8.782 -3.287 -11.966 1.00 -0.04 C HETATM 1297 H91 ALA A 1 -9.652 -3.442 -11.311 1.00 0.03 H HETATM 1298 H92 ALA A 1 -8.412 -2.258 -11.847 1.00 0.03 H HETATM 1299 H93 ALA A 1 -7.987 -3.996 -11.693 1.00 0.03 H HETATM 1300 CB ALA A 1 -9.799 -4.928 -13.576 1.00 -0.00 C HETATM 1301 CG ALA A 1 -8.789 -6.046 -13.795 1.00 -0.05 C HETATM 1302 CD1 ALA A 1 -8.048 -6.566 -12.738 1.00 -0.07 C HETATM 1303 CE1 ALA A 1 -7.131 -7.581 -12.940 1.00 -0.04 C HETATM 1304 CZ ALA A 1 -6.948 -8.092 -14.208 1.00 0.08 C HETATM 1305 CE2 ALA A 1 -7.671 -7.595 -15.270 1.00 -0.04 C HETATM 1306 CD2 ALA A 1 -8.584 -6.580 -15.062 1.00 -0.07 C HETATM 1307 H97 ALA A 1 -9.151 -6.193 -15.901 1.00 0.05 H HETATM 1308 H99 ALA A 1 -7.524 -7.999 -16.265 1.00 0.05 H HETATM 1309 OH ALA A 1 -6.037 -9.104 -14.414 1.00 -0.34 O HETATM 1310 H100 ALA A 1 -5.626 -9.331 -13.588 1.00 0.25 H HETATM 1311 H98 ALA A 1 -6.559 -7.973 -12.107 1.00 0.05 H HETATM 1312 H96 ALA A 1 -8.192 -6.169 -11.740 1.00 0.05 H HETATM 1313 H94 ALA A 1 -10.481 -4.911 -14.439 1.00 0.04 H HETATM 1314 H95 ALA A 1 -10.368 -5.157 -12.663 1.00 0.04 H HETATM 1315 H90 ALA A 1 -9.964 -2.779 -13.682 1.00 0.06 H HETATM 1316 H89 ALA A 1 -7.142 -3.618 -14.021 1.00 0.19 H HETATM 1317 CB ALA A 1 -6.653 -3.905 -17.138 1.00 -0.01 C HETATM 1318 CG ALA A 1 -6.308 -3.668 -18.599 1.00 -0.02 C HETATM 1319 CD ALA A 1 -6.361 -4.960 -19.401 1.00 0.06 C HETATM 1320 NE ALA A 1 -7.599 -5.071 -20.181 1.00 -0.27 N HETATM 1321 CZ ALA A 1 -7.667 -5.497 -21.451 1.00 0.29 C HETATM 1322 NH1 ALA A 1 -6.571 -5.862 -22.114 1.00 -0.28 N HETATM 1323 H85 ALA A 1 -6.643 -6.186 -23.089 1.00 0.26 H HETATM 1324 H86 ALA A 1 -5.652 -5.820 -21.652 1.00 0.26 H HETATM 1325 NH2 ALA A 1 -8.843 -5.557 -22.059 1.00 -0.28 N HETATM 1326 H87 ALA A 1 -9.697 -5.277 -21.556 1.00 0.26 H HETATM 1327 H88 ALA A 1 -8.903 -5.883 -23.034 1.00 0.26 H HETATM 1328 H84 ALA A 1 -8.480 -4.802 -19.720 1.00 0.26 H HETATM 1329 H82 ALA A 1 -6.301 -5.812 -18.707 1.00 0.07 H HETATM 1330 H83 ALA A 1 -5.504 -4.986 -20.090 1.00 0.07 H HETATM 1331 H80 ALA A 1 -5.293 -3.249 -18.663 1.00 0.03 H HETATM 1332 H81 ALA A 1 -7.027 -2.953 -19.025 1.00 0.03 H HETATM 1333 H78 ALA A 1 -7.568 -4.513 -17.092 1.00 0.03 H HETATM 1334 H79 ALA A 1 -5.823 -4.455 -16.670 1.00 0.03 H HETATM 1335 H77 ALA A 1 -7.002 -1.778 -17.049 1.00 0.08 H HETATM 1336 H76 ALA A 1 -5.809 -2.616 -14.505 1.00 0.19 H HETATM 1337 CB ALA A 1 -2.726 -2.744 -14.553 1.00 0.01 C HETATM 1338 CG ALA A 1 -3.509 -4.024 -14.469 1.00 -0.00 C HETATM 1339 ND1 ALA A 1 -3.441 -5.021 -15.418 1.00 -0.33 N HETATM 1340 CE1 ALA A 1 -4.243 -6.011 -15.067 1.00 0.09 C HETATM 1341 NE2 ALA A 1 -4.825 -5.691 -13.926 1.00 -0.28 N HETATM 1342 CD2 ALA A 1 -4.381 -4.454 -13.534 1.00 0.03 C HETATM 1343 H73 ALA A 1 -4.678 -3.918 -12.634 1.00 0.07 H HETATM 1344 H75 ALA A 1 -5.502 -6.275 -13.414 1.00 0.24 H HETATM 1345 H74 ALA A 1 -4.397 -6.934 -15.624 1.00 0.12 H HETATM 1346 H71 ALA A 1 -2.175 -2.621 -13.609 1.00 0.04 H HETATM 1347 H72 ALA A 1 -2.012 -2.837 -15.385 1.00 0.04 H HETATM 1348 H70 ALA A 1 -2.896 -0.670 -15.144 1.00 0.08 H HETATM 1349 H69 ALA A 1 -3.945 -1.560 -12.684 1.00 0.19 H HETATM 1350 CB ALA A 1 -5.681 -0.924 -11.149 1.00 -0.01 C HETATM 1351 CG ALA A 1 -6.925 -0.683 -10.387 1.00 -0.03 C HETATM 1352 CD ALA A 1 -7.788 0.110 -11.314 1.00 0.04 C HETATM 1353 H67 ALA A 1 -8.275 -0.536 -12.059 1.00 0.05 H HETATM 1354 H68 ALA A 1 -8.554 0.676 -10.763 1.00 0.05 H HETATM 1355 H65 ALA A 1 -6.714 -0.113 -9.470 1.00 0.03 H HETATM 1356 H66 ALA A 1 -7.410 -1.635 -10.124 1.00 0.03 H HETATM 1357 H63 ALA A 1 -4.837 -1.103 -10.467 1.00 0.03 H HETATM 1358 H64 ALA A 1 -5.799 -1.787 -11.821 1.00 0.03 H HETATM 1359 H62 ALA A 1 -4.726 1.021 -11.461 1.00 0.08 H HETATM 1360 CB ALA A 1 -8.668 4.140 -13.158 1.00 -0.01 C HETATM 1361 CG ALA A 1 -7.992 5.392 -12.563 1.00 -0.04 C HETATM 1362 CD ALA A 1 -8.844 6.062 -11.478 1.00 -0.01 C HETATM 1363 CE ALA A 1 -9.352 7.424 -11.925 1.00 -0.04 C HETATM 1364 NZ ALA A 1 -10.081 8.129 -10.832 1.00 0.22 N HETATM 1365 H59 ALA A 1 -10.401 9.025 -11.165 1.00 0.20 H HETATM 1366 H60 ALA A 1 -9.462 8.264 -10.048 1.00 0.20 H HETATM 1367 H61 ALA A 1 -10.872 7.575 -10.544 1.00 0.20 H HETATM 1368 H57 ALA A 1 -10.034 7.288 -12.777 1.00 0.08 H HETATM 1369 H58 ALA A 1 -8.495 8.039 -12.236 1.00 0.08 H HETATM 1370 H55 ALA A 1 -8.233 6.189 -10.572 1.00 0.03 H HETATM 1371 H56 ALA A 1 -9.706 5.417 -11.252 1.00 0.03 H HETATM 1372 H53 ALA A 1 -7.818 6.117 -13.372 1.00 0.03 H HETATM 1373 H54 ALA A 1 -7.029 5.096 -12.122 1.00 0.03 H HETATM 1374 H51 ALA A 1 -9.745 4.347 -13.243 1.00 0.03 H HETATM 1375 H52 ALA A 1 -8.247 3.974 -14.160 1.00 0.03 H HETATM 1376 H50 ALA A 1 -9.164 2.068 -12.783 1.00 0.08 H HETATM 1377 H49 ALA A 1 -8.317 3.586 -10.360 1.00 0.19 H HETATM 1378 H31 ALA A 1 -9.780 3.820 -8.765 1.00 0.08 H HETATM 1379 H30 ALA A 1 -12.199 2.407 -8.112 1.00 0.19 H HETATM 1380 CB ALA A 1 -14.375 3.038 -7.886 1.00 -0.01 C HETATM 1381 CG1 ALA A 1 -15.628 3.428 -7.115 1.00 -0.06 C HETATM 1382 H24 ALA A 1 -15.931 2.596 -6.463 1.00 0.02 H HETATM 1383 H25 ALA A 1 -16.439 3.653 -7.823 1.00 0.02 H HETATM 1384 H26 ALA A 1 -15.419 4.317 -6.502 1.00 0.02 H HETATM 1385 CG2 ALA A 1 -14.611 1.733 -8.654 1.00 -0.06 C HETATM 1386 H27 ALA A 1 -13.699 1.463 -9.206 1.00 0.02 H HETATM 1387 H28 ALA A 1 -15.442 1.869 -9.362 1.00 0.02 H HETATM 1388 H29 ALA A 1 -14.862 0.930 -7.945 1.00 0.02 H HETATM 1389 H23 ALA A 1 -13.567 2.859 -7.161 1.00 0.03 H HETATM 1390 H22 ALA A 1 -14.064 5.146 -8.259 1.00 0.08 H HETATM 1391 H21 ALA A 1 -15.052 3.451 -10.472 1.00 0.19 H HETATM 1392 H19 ALA A 1 -17.067 5.368 -11.491 1.00 0.08 H HETATM 1393 H20 ALA A 1 -15.830 6.301 -12.401 1.00 0.08 H HETATM 1394 H18 ALA A 1 -15.157 3.497 -12.252 1.00 0.19 H HETATM 1395 H16 ALA A 1 -16.011 3.008 -15.676 1.00 0.08 H HETATM 1396 H17 ALA A 1 -14.804 2.612 -14.407 1.00 0.08 H HETATM 1397 H15 ALA A 1 -17.501 1.865 -13.647 1.00 0.19 H HETATM 1398 CB ALA A 1 -16.880 -1.099 -12.556 1.00 0.09 C HETATM 1399 OG1 ALA A 1 -16.812 0.033 -11.677 1.00 -0.39 O HETATM 1400 H11 ALA A 1 -16.570 -0.258 -10.806 1.00 0.21 H HETATM 1401 CG2 ALA A 1 -15.545 -1.852 -12.518 1.00 -0.03 C HETATM 1402 H12 ALA A 1 -15.319 -2.145 -11.482 1.00 0.03 H HETATM 1403 H13 ALA A 1 -14.745 -1.200 -12.898 1.00 0.03 H HETATM 1404 H14 ALA A 1 -15.614 -2.752 -13.147 1.00 0.03 H HETATM 1405 H10 ALA A 1 -17.664 -1.778 -12.189 1.00 0.06 H HETATM 1406 H9 ALA A 1 -18.291 -0.218 -13.947 1.00 0.08 H HETATM 1407 H8 ALA A 1 -16.488 -2.304 -15.085 1.00 0.19 H HETATM 1408 CB ALA A 1 -18.141 -2.835 -17.967 1.00 -0.00 C HETATM 1409 H5 ALA A 1 -17.262 -2.177 -18.036 1.00 0.03 H HETATM 1410 H6 ALA A 1 -19.039 -2.282 -18.279 1.00 0.03 H HETATM 1411 H7 ALA A 1 -18.000 -3.705 -18.625 1.00 0.03 H HETATM 1412 H4 ALA A 1 -17.415 -3.880 -16.246 1.00 0.11 H HETATM 1413 H1 ALA A 1 -19.387 -4.980 -17.045 1.00 0.20 H HETATM 1414 H2 ALA A 1 -20.325 -3.685 -16.656 1.00 0.20 H HETATM 1415 H3 ALA A 1 -19.567 -4.538 -15.470 1.00 0.20 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1229 1230 1413 1414 1415 CONECT 1230 1229 1231 1408 1412 CONECT 1231 1230 1232 1233 CONECT 1232 1231 CONECT 1233 1231 1234 1407 CONECT 1234 1233 1235 1398 1406 CONECT 1235 1234 1236 1237 CONECT 1236 1235 CONECT 1237 1235 1238 1397 CONECT 1238 1237 1239 1395 1396 CONECT 1239 1238 1240 1241 CONECT 1240 1239 CONECT 1241 1239 1242 1394 CONECT 1242 1241 1243 1392 1393 CONECT 1243 1242 1244 1245 CONECT 1244 1243 CONECT 1245 1243 1246 1391 CONECT 1246 1245 1247 1380 1390 CONECT 1247 1246 1248 1249 CONECT 1248 1247 CONECT 1249 1247 1250 1379 CONECT 1250 1249 1251 1276 1378 CONECT 1251 1250 1252 1274 1275 CONECT 1252 1251 1253 1272 1273 CONECT 1253 1252 1254 1270 1271 CONECT 1254 1253 1255 1268 1269 CONECT 1255 1254 1256 1260 1264 CONECT 1256 1255 1257 1258 1259 CONECT 1257 1256 CONECT 1258 1256 CONECT 1259 1256 CONECT 1260 1255 1261 1262 1263 CONECT 1261 1260 CONECT 1262 1260 CONECT 1263 1260 CONECT 1264 1255 1265 1266 1267 CONECT 1265 1264 CONECT 1266 1264 CONECT 1267 1264 CONECT 1268 1254 CONECT 1269 1254 CONECT 1270 1253 CONECT 1271 1253 CONECT 1272 1252 CONECT 1273 1252 CONECT 1274 1251 CONECT 1275 1251 CONECT 1276 1250 1277 1278 CONECT 1277 1276 CONECT 1278 1276 1279 1377 CONECT 1279 1278 1280 1360 1376 CONECT 1280 1279 1281 1282 CONECT 1281 1280 CONECT 1282 1280 1283 1352 CONECT 1283 1282 1284 1350 1359 CONECT 1284 1283 1285 1286 CONECT 1285 1284 CONECT 1286 1284 1287 1349 CONECT 1287 1286 1288 1337 1348 CONECT 1288 1287 1289 1290 CONECT 1289 1288 CONECT 1290 1288 1291 1336 CONECT 1291 1290 1292 1317 1335 CONECT 1292 1291 1293 1294 CONECT 1293 1292 CONECT 1294 1292 1295 1316 CONECT 1295 1294 1296 1300 1315 CONECT 1296 1295 1297 1298 1299 CONECT 1297 1296 CONECT 1298 1296 CONECT 1299 1296 CONECT 1300 1295 1301 1313 1314 CONECT 1301 1300 1302 1306 CONECT 1302 1301 1303 1312 CONECT 1303 1302 1304 1311 CONECT 1304 1303 1305 1309 CONECT 1305 1304 1306 1308 CONECT 1306 1301 1305 1307 CONECT 1307 1306 CONECT 1308 1305 CONECT 1309 1304 1310 CONECT 1310 1309 CONECT 1311 1303 CONECT 1312 1302 CONECT 1313 1300 CONECT 1314 1300 CONECT 1315 1295 CONECT 1316 1294 CONECT 1317 1291 1318 1333 1334 CONECT 1318 1317 1319 1331 1332 CONECT 1319 1318 1320 1329 1330 CONECT 1320 1319 1321 1328 CONECT 1321 1320 1322 1325 CONECT 1322 1321 1323 1324 CONECT 1323 1322 CONECT 1324 1322 CONECT 1325 1321 1326 1327 CONECT 1326 1325 CONECT 1327 1325 CONECT 1328 1320 CONECT 1329 1319 CONECT 1330 1319 CONECT 1331 1318 CONECT 1332 1318 CONECT 1333 1317 CONECT 1334 1317 CONECT 1335 1291 CONECT 1336 1290 CONECT 1337 1287 1338 1346 1347 CONECT 1338 1337 1339 1342 CONECT 1339 1338 1340 CONECT 1340 1339 1341 1345 CONECT 1341 1340 1342 1344 CONECT 1342 1338 1341 1343 CONECT 1343 1342 CONECT 1344 1341 CONECT 1345 1340 CONECT 1346 1337 CONECT 1347 1337 CONECT 1348 1287 CONECT 1349 1286 CONECT 1350 1283 1351 1357 1358 CONECT 1351 1350 1352 1355 1356 CONECT 1352 1282 1351 1353 1354 CONECT 1353 1352 CONECT 1354 1352 CONECT 1355 1351 CONECT 1356 1351 CONECT 1357 1350 CONECT 1358 1350 CONECT 1359 1283 CONECT 1360 1279 1361 1374 1375 CONECT 1361 1360 1362 1372 1373 CONECT 1362 1361 1363 1370 1371 CONECT 1363 1362 1364 1368 1369 CONECT 1364 1363 1365 1366 1367 CONECT 1365 1364 CONECT 1366 1364 CONECT 1367 1364 CONECT 1368 1363 CONECT 1369 1363 CONECT 1370 1362 CONECT 1371 1362 CONECT 1372 1361 CONECT 1373 1361 CONECT 1374 1360 CONECT 1375 1360 CONECT 1376 1279 CONECT 1377 1278 CONECT 1378 1250 CONECT 1379 1249 CONECT 1380 1246 1381 1385 1389 CONECT 1381 1380 1382 1383 1384 CONECT 1382 1381 CONECT 1383 1381 CONECT 1384 1381 CONECT 1385 1380 1386 1387 1388 CONECT 1386 1385 CONECT 1387 1385 CONECT 1388 1385 CONECT 1389 1380 CONECT 1390 1246 CONECT 1391 1245 CONECT 1392 1242 CONECT 1393 1242 CONECT 1394 1241 CONECT 1395 1238 CONECT 1396 1238 CONECT 1397 1237 CONECT 1398 1234 1399 1401 1405 CONECT 1399 1398 1400 CONECT 1400 1399 CONECT 1401 1398 1402 1403 1404 CONECT 1402 1401 CONECT 1403 1401 CONECT 1404 1401 CONECT 1405 1398 CONECT 1406 1234 CONECT 1407 1233 CONECT 1408 1230 1409 1410 1411 CONECT 1409 1408 CONECT 1410 1408 CONECT 1411 1408 CONECT 1412 1230 CONECT 1413 1229 CONECT 1414 1229 CONECT 1415 1229 MASTER 0 0 0 0 0 0 0 0 1414 1 191 7 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: 2m0o
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
1l2z
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
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
2m0o
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
PHD finger protein 1
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=4.2uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Mol.Cell Vol. 49: pp. 571-582
Ligand Properties
Formula
C
5
7
H
1
0
0
N
1
8
O
1
2
Molecular Weight
1229.520
Exact Mass
1228.780
No. of atoms
187
No. of bonds
189
Polar Surface Area
472.64
LOGP Value
-0.17 (
Computed with XLOGP3
)
-2.52 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 50
No. of Nitrogen and Oxygen Atoms: 30
No. of Rings: 3
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C)CCC[NH+]=C(N)N)Cc1nc[nH]c1)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]([NH3+])C)CCCC[N+](C)(C)C
InChI String
InChI=1S/C57H96N18O12/c1-33(2)47(72-46(79)31-64-45(78)30-65-54(85)48(36(5)76)73-49(80)35(4)59)55(86)69-40(15-10-12-26-75(6,7)8)51(82)70-42(16-9-11-23-58)56(87)74-25-14-18-44(74)53(84)71-43(28-38-29-62-32-66-38)52(83)68-41(17-13-24-63-57(60)61)50(81)67-34(3)27-37-19-21-39(77)22-20-37/h19-22,29,32-36,40-44,47-48,76H,9-18,23-28,30-31,58-59H2,1-8H3,(H14-,60,61,62,63,64,65,66,67,68,69,70,71,72,73,77,78,79,80,81,82,83,84,85,86)/p+4/t34-,35+,36-,40+,41+,42+,43+,44+,47+,48+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P68431
O43189
Entrez Gene ID
NCBI Entrez Gene ID:
8350
8351
8352
8353
8354
8355
8356
8357
8358
8968
5252
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