Browse entries in the PDBbind-CN Database
HEADER 4UD7_COMPLEX COMPND 4UD7_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 C 96 SER GLN ILE PRO ALA SER GLU GLN GLU THR LEU VAL ARG SEQRES 2 C 96 PRO LYS PRO LEU LEU LEU LYS LEU LEU LYS SER VAL GLY SEQRES 3 C 96 ALA GLN LYS ASP THR TYR THR MET LYS GLU VAL LEU PHE SEQRES 4 C 96 TYR LEU GLY GLN TYR ILE MET THR LYS ARG LEU TYR ASP SEQRES 5 C 96 ALA ALA GLN GLN HIS ILE VAL TYR CYS SER ASN ASP LEU SEQRES 6 C 96 LEU GLY ASP LEU PHE GLY VAL PRO SER PHE SER VAL LYS SEQRES 7 C 96 GLU HIS ARG LYS ILE TYR THR MET ILE TYR ARG ASN LEU SEQRES 8 C 96 VAL VAL VAL ASN GLN HET ACE A 153 204 ATOM 1 N SER C 17 -34.797 31.341 11.735 1.00 39.79 N ATOM 2 CA SER C 17 -33.423 30.966 11.293 1.00 36.71 C ATOM 3 C SER C 17 -33.065 31.690 9.989 1.00 33.43 C ATOM 4 O SER C 17 -33.835 31.659 9.035 1.00 37.70 O ATOM 5 CB SER C 17 -33.316 29.448 11.071 1.00 45.57 C ATOM 6 OG SER C 17 -34.424 28.734 11.607 1.00 60.07 O ATOM 7 HG SER C 17 -34.305 27.766 11.437 1.00 0.00 H ATOM 8 HN3 SER C 17 -35.482 31.073 10.999 1.00 0.00 H ATOM 9 HN2 SER C 17 -34.841 32.368 11.894 1.00 0.00 H ATOM 10 HN1 SER C 17 -35.024 30.842 12.619 1.00 0.00 H ATOM 11 N GLN C 18 -31.902 32.338 9.948 1.00 30.23 N ATOM 12 CA GLN C 18 -31.421 32.992 8.728 1.00 30.02 C ATOM 13 C GLN C 18 -30.901 31.958 7.700 1.00 24.98 C ATOM 14 O GLN C 18 -30.282 30.945 8.069 1.00 24.83 O ATOM 15 CB GLN C 18 -30.332 34.014 9.095 1.00 40.03 C ATOM 16 CG GLN C 18 -29.558 34.615 7.930 1.00 49.31 C ATOM 17 CD GLN C 18 -28.056 34.616 8.171 1.00 55.53 C ATOM 18 OE1 GLN C 18 -27.317 33.844 7.550 1.00 57.91 O ATOM 19 NE2 GLN C 18 -27.596 35.467 9.090 1.00 55.15 N ATOM 20 HE22 GLN C 18 -28.254 36.099 9.589 1.00 0.00 H ATOM 21 HE21 GLN C 18 -26.579 35.498 9.307 1.00 0.00 H ATOM 22 H GLN C 18 -31.318 32.381 10.807 1.00 0.00 H ATOM 23 N ILE C 19 -31.141 32.215 6.414 1.00 20.00 N ATOM 24 CA ILE C 19 -30.648 31.345 5.323 1.00 19.49 C ATOM 25 C ILE C 19 -29.132 31.531 5.223 1.00 21.89 C ATOM 26 O ILE C 19 -28.646 32.675 5.238 1.00 23.04 O ATOM 27 CB ILE C 19 -31.337 31.672 3.964 1.00 21.47 C ATOM 28 CG1 ILE C 19 -32.853 31.437 4.056 1.00 22.61 C ATOM 29 CG2 ILE C 19 -30.777 30.813 2.841 1.00 23.36 C ATOM 30 CD1 ILE C 19 -33.638 32.119 2.944 1.00 25.10 C ATOM 31 H ILE C 19 -31.696 33.059 6.168 1.00 0.00 H ATOM 32 N PRO C 20 -28.366 30.427 5.131 1.00 19.97 N ATOM 33 CA PRO C 20 -26.893 30.582 5.040 1.00 19.30 C ATOM 34 C PRO C 20 -26.504 31.348 3.785 1.00 20.21 C ATOM 35 O PRO C 20 -27.191 31.229 2.769 1.00 21.48 O ATOM 36 CB PRO C 20 -26.360 29.130 4.964 1.00 19.06 C ATOM 37 CG PRO C 20 -27.519 28.251 5.283 1.00 22.05 C ATOM 38 CD PRO C 20 -28.804 29.016 5.177 1.00 17.32 C ATOM 39 N ALA C 21 -25.424 32.135 3.860 1.00 23.17 N ATOM 40 CA ALA C 21 -24.972 32.938 2.711 1.00 25.64 C ATOM 41 C ALA C 21 -24.591 32.075 1.494 1.00 28.76 C ATOM 42 O ALA C 21 -24.721 32.517 0.363 1.00 31.13 O ATOM 43 CB ALA C 21 -23.829 33.866 3.109 1.00 35.63 C ATOM 44 H ALA C 21 -24.891 32.181 4.752 1.00 0.00 H ATOM 45 N SER C 22 -24.129 30.850 1.735 1.00 31.22 N ATOM 46 CA SER C 22 -23.887 29.852 0.682 1.00 30.10 C ATOM 47 C SER C 22 -24.102 28.460 1.286 1.00 30.09 C ATOM 48 O SER C 22 -24.186 28.342 2.509 1.00 29.54 O ATOM 49 CB SER C 22 -22.462 29.979 0.124 1.00 39.86 C ATOM 50 OG SER C 22 -21.474 29.796 1.137 1.00 40.31 O ATOM 51 HG SER C 22 -20.573 29.885 0.737 1.00 0.00 H ATOM 52 H SER C 22 -23.928 30.584 2.720 1.00 0.00 H ATOM 53 N GLU C 23 -24.198 27.420 0.447 1.00 25.92 N ATOM 54 CA GLU C 23 -24.307 26.049 0.937 1.00 28.72 C ATOM 55 C GLU C 23 -23.137 25.723 1.868 1.00 25.53 C ATOM 56 O GLU C 23 -23.341 25.057 2.882 1.00 25.79 O ATOM 57 CB GLU C 23 -24.368 25.015 -0.209 1.00 33.87 C ATOM 58 CG GLU C 23 -24.794 23.591 0.215 1.00 36.89 C ATOM 59 CD GLU C 23 -23.669 22.713 0.810 1.00 40.30 C ATOM 60 OE1 GLU C 23 -22.464 23.005 0.594 1.00 35.11 O ATOM 61 OE2 GLU C 23 -23.986 21.704 1.504 1.00 51.09 O ATOM 62 H GLU C 23 -24.195 27.593 -0.578 1.00 0.00 H ATOM 63 N GLN C 24 -21.927 26.174 1.514 1.00 23.42 N ATOM 64 CA GLN C 24 -20.728 25.914 2.321 1.00 23.15 C ATOM 65 C GLN C 24 -20.826 26.478 3.731 1.00 20.05 C ATOM 66 O GLN C 24 -20.158 25.970 4.638 1.00 20.82 O ATOM 67 CB GLN C 24 -19.460 26.478 1.671 1.00 28.85 C ATOM 68 CG GLN C 24 -19.113 25.904 0.317 1.00 36.46 C ATOM 69 CD GLN C 24 -18.005 26.694 -0.358 1.00 58.26 C ATOM 70 OE1 GLN C 24 -17.386 27.577 0.251 1.00 71.16 O ATOM 71 NE2 GLN C 24 -17.748 26.382 -1.623 1.00 75.89 N ATOM 72 HE22 GLN C 24 -18.293 25.633 -2.095 1.00 0.00 H ATOM 73 HE21 GLN C 24 -17.001 26.887 -2.142 1.00 0.00 H ATOM 74 H GLN C 24 -21.833 26.727 0.638 1.00 0.00 H ATOM 75 N GLU C 25 -21.628 27.538 3.905 1.00 21.00 N ATOM 76 CA GLU C 25 -21.773 28.184 5.211 1.00 20.62 C ATOM 77 C GLU C 25 -22.886 27.632 6.098 1.00 18.19 C ATOM 78 O GLU C 25 -23.101 28.137 7.198 1.00 22.63 O ATOM 79 CB GLU C 25 -21.960 29.709 5.044 1.00 25.72 C ATOM 80 CG GLU C 25 -20.702 30.419 4.594 1.00 37.50 C ATOM 81 CD GLU C 25 -19.561 30.209 5.570 1.00 55.41 C ATOM 82 OE1 GLU C 25 -19.594 30.815 6.665 1.00 69.24 O ATOM 83 OE2 GLU C 25 -18.636 29.429 5.245 1.00 70.69 O ATOM 84 H GLU C 25 -22.160 27.911 3.093 1.00 0.00 H ATOM 85 N THR C 26 -23.581 26.601 5.638 1.00 18.13 N ATOM 86 CA THR C 26 -24.623 25.964 6.452 1.00 16.47 C ATOM 87 C THR C 26 -23.984 25.477 7.752 1.00 16.67 C ATOM 88 O THR C 26 -22.938 24.834 7.705 1.00 15.88 O ATOM 89 CB THR C 26 -25.267 24.773 5.700 1.00 19.23 C ATOM 90 OG1 THR C 26 -25.786 25.205 4.436 1.00 20.85 O ATOM 91 CG2 THR C 26 -26.397 24.148 6.524 1.00 21.17 C ATOM 92 HG1 THR C 26 -26.194 24.434 3.967 1.00 0.00 H ATOM 93 H THR C 26 -23.384 26.237 4.684 1.00 0.00 H ATOM 94 N LEU C 27 -24.598 25.800 8.901 1.00 17.03 N ATOM 95 CA LEU C 27 -24.082 25.386 10.218 1.00 13.87 C ATOM 96 C LEU C 27 -24.703 24.052 10.578 1.00 15.39 C ATOM 97 O LEU C 27 -25.930 23.851 10.395 1.00 16.51 O ATOM 98 CB LEU C 27 -24.429 26.428 11.308 1.00 17.02 C ATOM 99 CG LEU C 27 -23.632 27.733 11.438 1.00 24.37 C ATOM 100 CD1 LEU C 27 -24.042 28.491 12.699 1.00 32.85 C ATOM 101 CD2 LEU C 27 -22.129 27.489 11.470 1.00 31.60 C ATOM 102 H LEU C 27 -25.471 26.364 8.860 1.00 0.00 H ATOM 103 N VAL C 28 -23.854 23.125 11.033 1.00 15.08 N ATOM 104 CA VAL C 28 -24.273 21.738 11.302 1.00 13.73 C ATOM 105 C VAL C 28 -23.675 21.209 12.605 1.00 15.21 C ATOM 106 O VAL C 28 -22.607 21.663 13.038 1.00 16.52 O ATOM 107 CB VAL C 28 -23.884 20.800 10.120 1.00 14.19 C ATOM 108 CG1 VAL C 28 -24.511 21.281 8.814 1.00 14.90 C ATOM 109 CG2 VAL C 28 -22.361 20.672 9.978 1.00 16.75 C ATOM 110 H VAL C 28 -22.863 23.392 11.203 1.00 0.00 H ATOM 111 N ARG C 29 -24.371 20.254 13.227 1.00 16.34 N ATOM 112 CA ARG C 29 -23.882 19.513 14.388 1.00 17.00 C ATOM 113 C ARG C 29 -23.717 18.054 13.960 1.00 16.26 C ATOM 114 O ARG C 29 -24.714 17.368 13.746 1.00 18.33 O ATOM 115 CB ARG C 29 -24.876 19.586 15.565 1.00 19.77 C ATOM 116 CG ARG C 29 -24.853 20.898 16.341 1.00 26.16 C ATOM 117 CD ARG C 29 -25.756 20.844 17.585 1.00 37.99 C ATOM 118 NE ARG C 29 -26.960 21.697 17.532 1.00 52.84 N ATOM 119 CZ ARG C 29 -28.231 21.292 17.715 1.00 68.84 C ATOM 120 NH1 ARG C 29 -28.515 20.022 17.984 1.00 76.63 N ATOM 121 NH2 ARG C 29 -29.238 22.171 17.647 1.00 57.16 N ATOM 122 HE ARG C 29 -26.812 22.707 17.334 1.00 0.00 H ATOM 123 HH12 ARG C 29 -29.503 19.728 18.122 1.00 0.00 H ATOM 124 HH11 ARG C 29 -27.749 19.322 18.056 1.00 0.00 H ATOM 125 HH22 ARG C 29 -30.217 21.852 17.789 1.00 0.00 H ATOM 126 HH21 ARG C 29 -29.041 23.173 17.452 1.00 0.00 H ATOM 127 H ARG C 29 -25.318 20.024 12.863 1.00 0.00 H ATOM 128 N PRO C 30 -22.467 17.581 13.823 1.00 15.29 N ATOM 129 CA PRO C 30 -22.286 16.164 13.479 1.00 15.84 C ATOM 130 C PRO C 30 -22.867 15.245 14.537 1.00 15.82 C ATOM 131 O PRO C 30 -22.781 15.528 15.729 1.00 17.14 O ATOM 132 CB PRO C 30 -20.763 15.998 13.440 1.00 14.82 C ATOM 133 CG PRO C 30 -20.252 17.359 13.097 1.00 16.79 C ATOM 134 CD PRO C 30 -21.193 18.321 13.796 1.00 16.57 C ATOM 135 N LYS C 31 -23.448 14.149 14.085 1.00 16.27 N ATOM 136 CA LYS C 31 -23.933 13.100 14.975 1.00 19.89 C ATOM 137 C LYS C 31 -22.707 12.376 15.581 1.00 20.22 C ATOM 138 O LYS C 31 -21.583 12.601 15.140 1.00 17.24 O ATOM 139 CB LYS C 31 -24.850 12.163 14.194 1.00 20.06 C ATOM 140 CG LYS C 31 -26.167 12.815 13.785 1.00 21.48 C ATOM 141 CD LYS C 31 -27.038 11.867 12.987 1.00 20.81 C ATOM 142 CE LYS C 31 -28.249 12.592 12.447 1.00 22.08 C ATOM 143 NZ LYS C 31 -29.091 11.627 11.698 1.00 25.24 N ATOM 144 HZ1 LYS C 31 -28.541 11.226 10.912 1.00 0.00 H ATOM 145 HZ2 LYS C 31 -29.393 10.864 12.337 1.00 0.00 H ATOM 146 HZ3 LYS C 31 -29.928 12.117 11.322 1.00 0.00 H ATOM 147 H LYS C 31 -23.564 14.029 13.058 1.00 0.00 H ATOM 148 N PRO C 32 -22.909 11.542 16.615 1.00 22.69 N ATOM 149 CA PRO C 32 -21.768 11.074 17.413 1.00 24.13 C ATOM 150 C PRO C 32 -20.623 10.401 16.655 1.00 22.09 C ATOM 151 O PRO C 32 -19.452 10.670 16.952 1.00 22.88 O ATOM 152 CB PRO C 32 -22.428 10.086 18.372 1.00 27.39 C ATOM 153 CG PRO C 32 -23.748 10.740 18.648 1.00 28.47 C ATOM 154 CD PRO C 32 -24.189 11.207 17.282 1.00 24.54 C ATOM 155 N LEU C 33 -20.942 9.528 15.706 1.00 20.74 N ATOM 156 CA LEU C 33 -19.875 8.855 14.944 1.00 22.69 C ATOM 157 C LEU C 33 -19.101 9.779 13.995 1.00 17.47 C ATOM 158 O LEU C 33 -17.866 9.718 13.945 1.00 16.88 O ATOM 159 CB LEU C 33 -20.414 7.638 14.224 1.00 28.39 C ATOM 160 CG LEU C 33 -20.982 6.612 15.211 1.00 37.74 C ATOM 161 CD1 LEU C 33 -21.786 5.560 14.464 1.00 41.27 C ATOM 162 CD2 LEU C 33 -19.893 5.982 16.081 1.00 43.56 C ATOM 163 H LEU C 33 -21.940 9.320 15.502 1.00 0.00 H ATOM 164 N LEU C 34 -19.804 10.656 13.285 1.00 16.08 N ATOM 165 CA LEU C 34 -19.087 11.667 12.492 1.00 14.32 C ATOM 166 C LEU C 34 -18.233 12.595 13.404 1.00 14.52 C ATOM 167 O LEU C 34 -17.092 12.946 13.073 1.00 14.26 O ATOM 168 CB LEU C 34 -20.049 12.449 11.595 1.00 14.11 C ATOM 169 CG LEU C 34 -19.373 13.544 10.748 1.00 14.43 C ATOM 170 CD1 LEU C 34 -18.199 13.025 9.904 1.00 15.21 C ATOM 171 CD2 LEU C 34 -20.381 14.267 9.878 1.00 15.94 C ATOM 172 H LEU C 34 -20.844 10.628 13.290 1.00 0.00 H ATOM 173 N LEU C 35 -18.772 12.988 14.558 1.00 15.52 N ATOM 174 CA LEU C 35 -18.023 13.839 15.487 1.00 16.22 C ATOM 175 C LEU C 35 -16.728 13.147 15.932 1.00 14.92 C ATOM 176 O LEU C 35 -15.674 13.776 16.020 1.00 15.73 O ATOM 177 CB LEU C 35 -18.873 14.253 16.710 1.00 18.03 C ATOM 178 CG LEU C 35 -18.224 15.298 17.645 1.00 21.51 C ATOM 179 CD1 LEU C 35 -17.884 16.589 16.915 1.00 24.26 C ATOM 180 CD2 LEU C 35 -19.121 15.559 18.854 1.00 27.13 C ATOM 181 H LEU C 35 -19.737 12.687 14.802 1.00 0.00 H ATOM 182 N LYS C 36 -16.830 11.848 16.208 1.00 17.04 N ATOM 183 CA LYS C 36 -15.669 11.040 16.589 1.00 16.93 C ATOM 184 C LYS C 36 -14.601 11.074 15.489 1.00 15.80 C ATOM 185 O LYS C 36 -13.419 11.207 15.777 1.00 15.61 O ATOM 186 CB LYS C 36 -16.090 9.601 16.909 1.00 18.75 C ATOM 187 CG LYS C 36 -14.941 8.742 17.431 1.00 24.15 C ATOM 188 CD LYS C 36 -15.364 7.304 17.680 1.00 29.19 C ATOM 189 CE LYS C 36 -14.126 6.469 17.982 1.00 39.57 C ATOM 190 NZ LYS C 36 -14.433 5.220 18.723 1.00 43.28 N ATOM 191 HZ1 LYS C 36 -14.882 5.458 19.630 1.00 0.00 H ATOM 192 HZ2 LYS C 36 -15.080 4.633 18.158 1.00 0.00 H ATOM 193 HZ3 LYS C 36 -13.551 4.697 18.898 1.00 0.00 H ATOM 194 H LYS C 36 -17.763 11.393 16.151 1.00 0.00 H ATOM 195 N LEU C 37 -15.038 10.977 14.236 1.00 14.21 N ATOM 196 CA LEU C 37 -14.109 11.013 13.095 1.00 13.41 C ATOM 197 C LEU C 37 -13.422 12.363 13.041 1.00 14.86 C ATOM 198 O LEU C 37 -12.200 12.441 12.914 1.00 15.37 O ATOM 199 CB LEU C 37 -14.839 10.713 11.770 1.00 15.50 C ATOM 200 CG LEU C 37 -14.032 10.661 10.456 1.00 14.52 C ATOM 201 CD1 LEU C 37 -14.810 9.868 9.406 1.00 18.95 C ATOM 202 CD2 LEU C 37 -13.700 12.061 9.920 1.00 16.85 C ATOM 203 H LEU C 37 -16.058 10.874 14.059 1.00 0.00 H ATOM 204 N LEU C 38 -14.206 13.432 13.139 1.00 13.11 N ATOM 205 CA LEU C 38 -13.629 14.773 13.100 1.00 13.08 C ATOM 206 C LEU C 38 -12.635 15.008 14.251 1.00 13.83 C ATOM 207 O LEU C 38 -11.560 15.604 14.046 1.00 15.74 O ATOM 208 CB LEU C 38 -14.740 15.821 13.144 1.00 14.51 C ATOM 209 CG LEU C 38 -15.793 15.770 12.014 1.00 18.15 C ATOM 210 CD1 LEU C 38 -16.837 16.855 12.230 1.00 20.24 C ATOM 211 CD2 LEU C 38 -15.225 15.818 10.600 1.00 19.34 C ATOM 212 H LEU C 38 -15.234 13.313 13.244 1.00 0.00 H ATOM 213 N LYS C 39 -12.990 14.572 15.465 1.00 15.29 N ATOM 214 CA LYS C 39 -12.089 14.770 16.610 1.00 16.55 C ATOM 215 C LYS C 39 -10.801 13.976 16.475 1.00 17.02 C ATOM 216 O LYS C 39 -9.767 14.385 16.992 1.00 17.14 O ATOM 217 CB LYS C 39 -12.808 14.486 17.930 1.00 18.94 C ATOM 218 CG LYS C 39 -13.876 15.543 18.163 1.00 23.35 C ATOM 219 CD LYS C 39 -14.382 15.579 19.574 1.00 31.52 C ATOM 220 CE LYS C 39 -15.261 16.814 19.741 1.00 39.35 C ATOM 221 NZ LYS C 39 -15.876 16.903 21.091 1.00 52.20 N ATOM 222 HZ1 LYS C 39 -16.469 16.065 21.256 1.00 0.00 H ATOM 223 HZ2 LYS C 39 -15.126 16.946 21.810 1.00 0.00 H ATOM 224 HZ3 LYS C 39 -16.462 17.760 21.148 1.00 0.00 H ATOM 225 H LYS C 39 -13.903 14.093 15.599 1.00 0.00 H ATOM 226 N SER C 40 -10.852 12.867 15.727 1.00 15.26 N ATOM 227 CA SER C 40 -9.674 12.030 15.560 1.00 14.90 C ATOM 228 C SER C 40 -8.601 12.726 14.722 1.00 16.36 C ATOM 229 O SER C 40 -7.426 12.339 14.778 1.00 19.17 O ATOM 230 CB SER C 40 -10.024 10.670 14.935 1.00 16.62 C ATOM 231 OG SER C 40 -10.184 10.764 13.522 1.00 16.90 O ATOM 232 HG SER C 40 -10.914 11.399 13.315 1.00 0.00 H ATOM 233 H SER C 40 -11.743 12.601 15.261 1.00 0.00 H ATOM 234 N VAL C 41 -8.994 13.725 13.934 1.00 15.64 N ATOM 235 CA VAL C 41 -7.988 14.498 13.180 1.00 18.68 C ATOM 236 C VAL C 41 -7.832 15.903 13.704 1.00 19.57 C ATOM 237 O VAL C 41 -7.295 16.768 13.018 1.00 20.88 O ATOM 238 CB VAL C 41 -8.217 14.502 11.645 1.00 20.41 C ATOM 239 CG1 VAL C 41 -7.847 13.147 11.066 1.00 23.42 C ATOM 240 CG2 VAL C 41 -9.644 14.879 11.293 1.00 21.84 C ATOM 241 H VAL C 41 -10.004 13.959 13.850 1.00 0.00 H ATOM 242 N GLY C 42 -8.311 16.133 14.924 1.00 17.74 N ATOM 243 CA GLY C 42 -7.994 17.368 15.626 1.00 18.08 C ATOM 244 C GLY C 42 -9.110 18.355 15.863 1.00 17.04 C ATOM 245 O GLY C 42 -8.862 19.414 16.470 1.00 21.15 O ATOM 246 H GLY C 42 -8.918 15.423 15.381 1.00 0.00 H ATOM 247 N ALA C 43 -10.330 18.054 15.410 1.00 16.49 N ATOM 248 CA ALA C 43 -11.464 18.986 15.616 1.00 17.30 C ATOM 249 C ALA C 43 -11.742 19.111 17.110 1.00 20.06 C ATOM 250 O ALA C 43 -11.597 18.132 17.844 1.00 21.31 O ATOM 251 CB ALA C 43 -12.720 18.551 14.854 1.00 17.49 C ATOM 252 H ALA C 43 -10.486 17.157 14.908 1.00 0.00 H ATOM 253 N GLN C 44 -12.132 20.310 17.547 1.00 20.14 N ATOM 254 CA GLN C 44 -12.196 20.663 18.979 1.00 20.78 C ATOM 255 C GLN C 44 -13.612 21.032 19.442 1.00 24.53 C ATOM 256 O GLN C 44 -13.895 20.968 20.651 1.00 27.04 O ATOM 257 CB GLN C 44 -11.244 21.853 19.272 1.00 21.64 C ATOM 258 CG GLN C 44 -9.773 21.549 18.997 1.00 21.20 C ATOM 259 CD GLN C 44 -9.221 20.471 19.924 1.00 20.76 C ATOM 260 OE1 GLN C 44 -9.368 20.549 21.154 1.00 21.75 O ATOM 261 NE2 GLN C 44 -8.582 19.457 19.337 1.00 26.45 N ATOM 262 HE22 GLN C 44 -8.483 19.434 18.302 1.00 0.00 H ATOM 263 HE21 GLN C 44 -8.183 18.690 19.915 1.00 0.00 H ATOM 264 H GLN C 44 -12.403 21.029 16.846 1.00 0.00 H ATOM 265 N LYS C 45 -14.471 21.424 18.489 1.00 21.67 N ATOM 266 CA LYS C 45 -15.814 22.006 18.755 1.00 25.50 C ATOM 267 C LYS C 45 -16.932 21.008 18.458 1.00 21.16 C ATOM 268 O LYS C 45 -16.676 19.900 17.975 1.00 25.51 O ATOM 269 CB LYS C 45 -16.094 23.232 17.856 1.00 33.73 C ATOM 270 CG LYS C 45 -15.163 24.429 17.913 1.00 40.89 C ATOM 271 CD LYS C 45 -15.597 25.432 16.845 1.00 40.27 C ATOM 272 CE LYS C 45 -15.041 25.061 15.470 1.00 47.78 C ATOM 273 NZ LYS C 45 -15.992 25.171 14.309 1.00 35.85 N ATOM 274 HZ1 LYS C 45 -16.804 24.541 14.467 1.00 0.00 H ATOM 275 HZ2 LYS C 45 -16.324 26.153 14.226 1.00 0.00 H ATOM 276 HZ3 LYS C 45 -15.502 24.894 13.434 1.00 0.00 H ATOM 277 H LYS C 45 -14.178 21.314 17.497 1.00 0.00 H ATOM 278 N ASP C 46 -18.174 21.419 18.707 1.00 22.28 N ATOM 279 CA ASP C 46 -19.350 20.580 18.440 1.00 25.44 C ATOM 280 C ASP C 46 -20.157 21.033 17.202 1.00 19.81 C ATOM 281 O ASP C 46 -20.926 20.252 16.641 1.00 20.41 O ATOM 282 CB ASP C 46 -20.288 20.545 19.664 1.00 34.44 C ATOM 283 CG ASP C 46 -19.832 19.569 20.768 1.00 44.65 C ATOM 284 OD1 ASP C 46 -18.873 18.786 20.590 1.00 44.42 O ATOM 285 OD2 ASP C 46 -20.468 19.580 21.840 1.00 61.93 O ATOM 286 H ASP C 46 -18.317 22.369 19.105 1.00 0.00 H ATOM 287 N THR C 47 -19.959 22.286 16.781 1.00 19.28 N ATOM 288 CA THR C 47 -20.699 22.900 15.674 1.00 19.10 C ATOM 289 C THR C 47 -19.739 23.392 14.592 1.00 17.66 C ATOM 290 O THR C 47 -18.712 24.002 14.908 1.00 19.07 O ATOM 291 CB THR C 47 -21.525 24.071 16.209 1.00 24.30 C ATOM 292 OG1 THR C 47 -22.462 23.560 17.162 1.00 30.22 O ATOM 293 CG2 THR C 47 -22.286 24.764 15.093 1.00 28.17 C ATOM 294 HG1 THR C 47 -23.007 24.305 17.520 1.00 0.00 H ATOM 295 H THR C 47 -19.239 22.858 17.266 1.00 0.00 H ATOM 296 N TYR C 48 -20.084 23.127 13.327 1.00 14.98 N ATOM 297 CA TYR C 48 -19.189 23.375 12.190 1.00 14.47 C ATOM 298 C TYR C 48 -19.969 23.921 11.010 1.00 15.86 C ATOM 299 O TYR C 48 -21.179 23.709 10.897 1.00 18.86 O ATOM 300 CB TYR C 48 -18.535 22.055 11.750 1.00 16.37 C ATOM 301 CG TYR C 48 -17.664 21.452 12.824 1.00 18.00 C ATOM 302 CD1 TYR C 48 -18.204 20.599 13.804 1.00 17.68 C ATOM 303 CD2 TYR C 48 -16.305 21.764 12.884 1.00 19.56 C ATOM 304 CE1 TYR C 48 -17.403 20.091 14.817 1.00 20.65 C ATOM 305 CE2 TYR C 48 -15.490 21.253 13.880 1.00 22.67 C ATOM 306 CZ TYR C 48 -16.036 20.416 14.841 1.00 24.96 C ATOM 307 OH TYR C 48 -15.192 19.912 15.814 1.00 31.49 O ATOM 308 HH TYR C 48 -15.708 19.334 16.430 1.00 0.00 H ATOM 309 H TYR C 48 -21.026 22.728 13.141 1.00 0.00 H ATOM 310 N THR C 49 -19.283 24.599 10.096 1.00 14.27 N ATOM 311 CA THR C 49 -19.877 24.806 8.785 1.00 15.51 C ATOM 312 C THR C 49 -19.667 23.556 7.925 1.00 15.29 C ATOM 313 O THR C 49 -18.742 22.749 8.186 1.00 14.84 O ATOM 314 CB THR C 49 -19.235 25.998 8.055 1.00 17.64 C ATOM 315 OG1 THR C 49 -17.856 25.718 7.834 1.00 18.48 O ATOM 316 CG2 THR C 49 -19.354 27.276 8.894 1.00 19.22 C ATOM 317 HG1 THR C 49 -17.437 26.482 7.364 1.00 0.00 H ATOM 318 H THR C 49 -18.338 24.975 10.314 1.00 0.00 H ATOM 319 N MET C 50 -20.521 23.398 6.908 1.00 13.94 N ATOM 320 CA MET C 50 -20.350 22.328 5.915 1.00 13.83 C ATOM 321 C MET C 50 -18.937 22.336 5.312 1.00 14.76 C ATOM 322 O MET C 50 -18.324 21.260 5.133 1.00 13.72 O ATOM 323 CB MET C 50 -21.416 22.418 4.830 1.00 16.53 C ATOM 324 CG MET C 50 -22.747 21.807 5.229 1.00 20.10 C ATOM 325 SD MET C 50 -22.667 20.031 5.560 1.00 26.15 S ATOM 326 CE MET C 50 -21.944 19.316 4.091 1.00 27.81 C ATOM 327 H MET C 50 -21.327 24.049 6.817 1.00 0.00 H ATOM 328 N LYS C 51 -18.414 23.536 5.005 1.00 13.40 N ATOM 329 CA LYS C 51 -17.053 23.649 4.444 1.00 16.27 C ATOM 330 C LYS C 51 -16.017 23.029 5.404 1.00 13.96 C ATOM 331 O LYS C 51 -15.148 22.251 4.975 1.00 14.31 O ATOM 332 CB LYS C 51 -16.739 25.129 4.159 1.00 22.40 C ATOM 333 CG LYS C 51 -15.425 25.429 3.461 1.00 30.82 C ATOM 334 CD LYS C 51 -15.245 26.945 3.324 1.00 37.29 C ATOM 335 CE LYS C 51 -14.113 27.305 2.380 1.00 45.31 C ATOM 336 NZ LYS C 51 -13.945 28.777 2.233 1.00 58.52 N ATOM 337 HZ1 LYS C 51 -14.822 29.189 1.856 1.00 0.00 H ATOM 338 HZ2 LYS C 51 -13.735 29.195 3.162 1.00 0.00 H ATOM 339 HZ3 LYS C 51 -13.160 28.972 1.579 1.00 0.00 H ATOM 340 H LYS C 51 -18.976 24.396 5.165 1.00 0.00 H ATOM 341 N GLU C 52 -16.139 23.331 6.706 1.00 12.83 N ATOM 342 CA GLU C 52 -15.225 22.769 7.727 1.00 12.90 C ATOM 343 C GLU C 52 -15.325 21.244 7.792 1.00 12.67 C ATOM 344 O GLU C 52 -14.287 20.564 7.885 1.00 13.16 O ATOM 345 CB GLU C 52 -15.453 23.381 9.119 1.00 14.15 C ATOM 346 CG GLU C 52 -15.095 24.870 9.169 1.00 17.97 C ATOM 347 CD GLU C 52 -15.511 25.571 10.453 1.00 25.24 C ATOM 348 OE1 GLU C 52 -16.512 25.184 11.092 1.00 22.86 O ATOM 349 OE2 GLU C 52 -14.843 26.564 10.811 1.00 32.61 O ATOM 350 H GLU C 52 -16.896 23.978 7.006 1.00 0.00 H ATOM 351 N VAL C 53 -16.547 20.711 7.725 1.00 11.28 N ATOM 352 CA VAL C 53 -16.727 19.247 7.737 1.00 11.46 C ATOM 353 C VAL C 53 -16.010 18.616 6.539 1.00 11.83 C ATOM 354 O VAL C 53 -15.266 17.624 6.702 1.00 11.73 O ATOM 355 CB VAL C 53 -18.231 18.837 7.786 1.00 11.92 C ATOM 356 CG1 VAL C 53 -18.409 17.328 7.586 1.00 13.86 C ATOM 357 CG2 VAL C 53 -18.881 19.298 9.101 1.00 13.52 C ATOM 358 H VAL C 53 -17.378 21.333 7.664 1.00 0.00 H ATOM 359 N LEU C 54 -16.222 19.174 5.339 1.00 12.01 N ATOM 360 CA LEU C 54 -15.537 18.667 4.136 1.00 13.02 C ATOM 361 C LEU C 54 -14.010 18.727 4.224 1.00 12.85 C ATOM 362 O LEU C 54 -13.329 17.785 3.828 1.00 11.74 O ATOM 363 CB LEU C 54 -16.031 19.359 2.860 1.00 13.51 C ATOM 364 CG LEU C 54 -17.256 18.744 2.159 1.00 15.34 C ATOM 365 CD1 LEU C 54 -16.977 17.375 1.551 1.00 15.98 C ATOM 366 CD2 LEU C 54 -18.443 18.657 3.102 1.00 14.33 C ATOM 367 H LEU C 54 -16.879 19.976 5.255 1.00 0.00 H ATOM 368 N PHE C 55 -13.466 19.822 4.746 1.00 11.98 N ATOM 369 CA PHE C 55 -11.994 19.914 4.934 1.00 12.32 C ATOM 370 C PHE C 55 -11.489 18.838 5.905 1.00 11.93 C ATOM 371 O PHE C 55 -10.482 18.171 5.637 1.00 12.31 O ATOM 372 CB PHE C 55 -11.556 21.288 5.470 1.00 13.98 C ATOM 373 CG PHE C 55 -11.582 22.413 4.454 1.00 16.18 C ATOM 374 CD1 PHE C 55 -10.877 22.335 3.275 1.00 19.83 C ATOM 375 CD2 PHE C 55 -12.242 23.616 4.760 1.00 19.73 C ATOM 376 CE1 PHE C 55 -10.858 23.386 2.350 1.00 24.66 C ATOM 377 CE2 PHE C 55 -12.238 24.674 3.844 1.00 21.30 C ATOM 378 CZ PHE C 55 -11.543 24.551 2.628 1.00 25.22 C ATOM 379 H PHE C 55 -14.074 20.619 5.024 1.00 0.00 H ATOM 380 N TYR C 56 -12.179 18.664 7.036 1.00 11.07 N ATOM 381 CA TYR C 56 -11.759 17.636 7.997 1.00 11.59 C ATOM 382 C TYR C 56 -11.889 16.217 7.416 1.00 10.91 C ATOM 383 O TYR C 56 -11.019 15.363 7.703 1.00 11.10 O ATOM 384 CB TYR C 56 -12.505 17.782 9.349 1.00 13.17 C ATOM 385 CG TYR C 56 -11.780 18.664 10.363 1.00 18.77 C ATOM 386 CD1 TYR C 56 -10.507 18.300 10.832 1.00 19.10 C ATOM 387 CD2 TYR C 56 -12.360 19.837 10.883 1.00 26.49 C ATOM 388 CE1 TYR C 56 -9.824 19.069 11.767 1.00 24.53 C ATOM 389 CE2 TYR C 56 -11.678 20.608 11.835 1.00 27.45 C ATOM 390 CZ TYR C 56 -10.402 20.222 12.259 1.00 29.62 C ATOM 391 OH TYR C 56 -9.678 20.961 13.196 1.00 41.66 O ATOM 392 HH TYR C 56 -8.806 20.522 13.358 1.00 0.00 H ATOM 393 H TYR C 56 -13.011 19.255 7.235 1.00 0.00 H ATOM 394 N LEU C 57 -12.932 15.951 6.620 1.00 11.81 N ATOM 395 CA LEU C 57 -13.056 14.630 5.949 1.00 12.74 C ATOM 396 C LEU C 57 -11.922 14.396 4.995 1.00 12.29 C ATOM 397 O LEU C 57 -11.349 13.298 4.970 1.00 11.61 O ATOM 398 CB LEU C 57 -14.394 14.430 5.234 1.00 12.38 C ATOM 399 CG LEU C 57 -15.594 14.135 6.142 1.00 15.32 C ATOM 400 CD1 LEU C 57 -16.911 14.310 5.392 1.00 18.13 C ATOM 401 CD2 LEU C 57 -15.496 12.731 6.751 1.00 19.77 C ATOM 402 H LEU C 57 -13.663 16.676 6.469 1.00 0.00 H ATOM 403 N GLY C 58 -11.571 15.422 4.213 1.00 11.69 N ATOM 404 CA GLY C 58 -10.413 15.301 3.312 1.00 12.37 C ATOM 405 C GLY C 58 -9.128 14.993 4.087 1.00 10.81 C ATOM 406 O GLY C 58 -8.320 14.133 3.696 1.00 11.22 O ATOM 407 H GLY C 58 -12.117 16.307 4.241 1.00 0.00 H ATOM 408 N GLN C 59 -8.922 15.703 5.202 1.00 11.31 N ATOM 409 CA GLN C 59 -7.737 15.505 6.054 1.00 10.76 C ATOM 410 C GLN C 59 -7.714 14.090 6.637 1.00 10.48 C ATOM 411 O GLN C 59 -6.665 13.454 6.683 1.00 12.14 O ATOM 412 CB GLN C 59 -7.765 16.525 7.180 1.00 13.27 C ATOM 413 CG GLN C 59 -6.643 16.374 8.185 1.00 14.05 C ATOM 414 CD GLN C 59 -6.317 17.689 8.860 1.00 16.13 C ATOM 415 OE1 GLN C 59 -6.216 18.726 8.206 1.00 14.11 O ATOM 416 NE2 GLN C 59 -6.123 17.647 10.173 1.00 20.02 N ATOM 417 HE22 GLN C 59 -6.219 16.747 10.684 1.00 0.00 H ATOM 418 HE21 GLN C 59 -5.875 18.515 10.690 1.00 0.00 H ATOM 419 H GLN C 59 -9.623 16.420 5.477 1.00 0.00 H ATOM 420 N TYR C 60 -8.882 13.592 7.047 1.00 10.77 N ATOM 421 CA TYR C 60 -8.974 12.211 7.530 1.00 11.69 C ATOM 422 C TYR C 60 -8.520 11.206 6.458 1.00 11.41 C ATOM 423 O TYR C 60 -7.704 10.302 6.730 1.00 11.86 O ATOM 424 CB TYR C 60 -10.407 11.895 7.987 1.00 10.92 C ATOM 425 CG TYR C 60 -10.614 10.507 8.561 1.00 12.20 C ATOM 426 CD1 TYR C 60 -10.398 10.261 9.909 1.00 14.72 C ATOM 427 CD2 TYR C 60 -11.067 9.449 7.745 1.00 13.40 C ATOM 428 CE1 TYR C 60 -10.612 8.990 10.448 1.00 16.96 C ATOM 429 CE2 TYR C 60 -11.306 8.182 8.265 1.00 14.30 C ATOM 430 CZ TYR C 60 -11.063 7.961 9.624 1.00 17.05 C ATOM 431 OH TYR C 60 -11.270 6.715 10.184 1.00 21.35 O ATOM 432 HH TYR C 60 -10.691 6.051 9.732 1.00 0.00 H ATOM 433 H TYR C 60 -9.734 14.188 7.024 1.00 0.00 H ATOM 434 N ILE C 61 -9.057 11.363 5.250 1.00 9.30 N ATOM 435 CA ILE C 61 -8.686 10.441 4.151 1.00 10.57 C ATOM 436 C ILE C 61 -7.180 10.498 3.844 1.00 11.72 C ATOM 437 O ILE C 61 -6.542 9.446 3.621 1.00 12.08 O ATOM 438 CB ILE C 61 -9.565 10.708 2.902 1.00 10.83 C ATOM 439 CG1 ILE C 61 -11.060 10.360 3.190 1.00 11.51 C ATOM 440 CG2 ILE C 61 -9.013 9.972 1.679 1.00 12.22 C ATOM 441 CD1 ILE C 61 -12.059 10.977 2.210 1.00 12.56 C ATOM 442 H ILE C 61 -9.736 12.132 5.078 1.00 0.00 H ATOM 443 N MET C 62 -6.587 11.694 3.832 1.00 10.83 N ATOM 444 CA MET C 62 -5.152 11.801 3.529 1.00 11.42 C ATOM 445 C MET C 62 -4.276 11.232 4.658 1.00 11.35 C ATOM 446 O MET C 62 -3.310 10.512 4.391 1.00 14.52 O ATOM 447 CB MET C 62 -4.732 13.253 3.245 1.00 11.65 C ATOM 448 CG MET C 62 -5.005 13.742 1.818 1.00 10.59 C ATOM 449 SD MET C 62 -4.544 15.484 1.604 1.00 15.31 S ATOM 450 CE MET C 62 -5.794 16.267 2.644 1.00 11.02 C ATOM 451 H MET C 62 -7.140 12.550 4.037 1.00 0.00 H ATOM 452 N THR C 63 -4.593 11.568 5.910 1.00 11.72 N ATOM 453 CA THR C 63 -3.738 11.148 7.025 1.00 13.37 C ATOM 454 C THR C 63 -3.815 9.631 7.211 1.00 13.94 C ATOM 455 O THR C 63 -2.813 9.021 7.576 1.00 16.71 O ATOM 456 CB THR C 63 -4.079 11.869 8.337 1.00 15.39 C ATOM 457 OG1 THR C 63 -5.427 11.572 8.692 1.00 19.56 O ATOM 458 CG2 THR C 63 -3.921 13.394 8.179 1.00 14.57 C ATOM 459 HG1 THR C 63 -6.032 11.882 7.973 1.00 0.00 H ATOM 460 H THR C 63 -5.449 12.129 6.095 1.00 0.00 H ATOM 461 N LYS C 64 -4.984 9.036 6.939 1.00 13.96 N ATOM 462 CA LYS C 64 -5.134 7.569 7.022 1.00 15.25 C ATOM 463 C LYS C 64 -4.776 6.867 5.721 1.00 16.39 C ATOM 464 O LYS C 64 -4.848 5.638 5.634 1.00 20.09 O ATOM 465 CB LYS C 64 -6.542 7.152 7.479 1.00 19.61 C ATOM 466 CG LYS C 64 -6.832 7.511 8.925 1.00 25.18 C ATOM 467 CD LYS C 64 -7.947 6.646 9.490 1.00 32.22 C ATOM 468 CE LYS C 64 -7.504 5.225 9.858 1.00 32.73 C ATOM 469 NZ LYS C 64 -8.610 4.551 10.609 1.00 32.67 N ATOM 470 HZ1 LYS C 64 -8.819 5.090 11.474 1.00 0.00 H ATOM 471 HZ2 LYS C 64 -9.460 4.511 10.011 1.00 0.00 H ATOM 472 HZ3 LYS C 64 -8.317 3.586 10.863 1.00 0.00 H ATOM 473 H LYS C 64 -5.801 9.618 6.664 1.00 0.00 H ATOM 474 N ARG C 65 -4.391 7.640 4.713 1.00 14.02 N ATOM 475 CA ARG C 65 -3.947 7.078 3.425 1.00 16.49 C ATOM 476 C ARG C 65 -4.999 6.140 2.801 1.00 15.05 C ATOM 477 O ARG C 65 -4.675 5.027 2.330 1.00 18.69 O ATOM 478 CB ARG C 65 -2.567 6.392 3.555 1.00 19.89 C ATOM 479 CG ARG C 65 -1.450 7.289 4.072 1.00 23.21 C ATOM 480 CD ARG C 65 -0.151 6.507 4.285 1.00 27.17 C ATOM 481 NE ARG C 65 0.799 7.296 5.066 1.00 36.43 N ATOM 482 CZ ARG C 65 2.048 6.929 5.348 1.00 48.59 C ATOM 483 NH1 ARG C 65 2.526 5.760 4.926 1.00 55.49 N ATOM 484 NH2 ARG C 65 2.824 7.737 6.059 1.00 49.66 N ATOM 485 HE ARG C 65 0.475 8.215 5.430 1.00 0.00 H ATOM 486 HH12 ARG C 65 3.503 5.485 5.153 1.00 0.00 H ATOM 487 HH11 ARG C 65 1.922 5.122 4.369 1.00 0.00 H ATOM 488 HH22 ARG C 65 3.800 7.457 6.283 1.00 0.00 H ATOM 489 HH21 ARG C 65 2.456 8.651 6.393 1.00 0.00 H ATOM 490 H ARG C 65 -4.403 8.673 4.836 1.00 0.00 H ATOM 491 N LEU C 66 -6.253 6.590 2.766 1.00 13.68 N ATOM 492 CA LEU C 66 -7.346 5.764 2.241 1.00 13.93 C ATOM 493 C LEU C 66 -7.511 5.828 0.701 1.00 14.53 C ATOM 494 O LEU C 66 -8.222 5.025 0.119 1.00 17.58 O ATOM 495 CB LEU C 66 -8.671 6.063 2.963 1.00 14.40 C ATOM 496 CG LEU C 66 -8.657 5.841 4.496 1.00 16.58 C ATOM 497 CD1 LEU C 66 -9.994 6.234 5.110 1.00 18.06 C ATOM 498 CD2 LEU C 66 -8.257 4.427 4.918 1.00 18.31 C ATOM 499 H LEU C 66 -6.461 7.546 3.118 1.00 0.00 H ATOM 500 N TYR C 67 -6.890 6.804 0.051 1.00 15.76 N ATOM 501 CA TYR C 67 -7.083 6.974 -1.388 1.00 14.13 C ATOM 502 C TYR C 67 -6.186 5.990 -2.145 1.00 15.67 C ATOM 503 O TYR C 67 -5.086 5.662 -1.654 1.00 15.81 O ATOM 504 CB TYR C 67 -6.820 8.427 -1.819 1.00 15.54 C ATOM 505 CG TYR C 67 -5.445 8.917 -1.474 1.00 15.67 C ATOM 506 CD1 TYR C 67 -5.188 9.538 -0.242 1.00 20.52 C ATOM 507 CD2 TYR C 67 -4.383 8.773 -2.373 1.00 15.86 C ATOM 508 CE1 TYR C 67 -3.914 9.976 0.090 1.00 20.70 C ATOM 509 CE2 TYR C 67 -3.109 9.216 -2.052 1.00 18.49 C ATOM 510 CZ TYR C 67 -2.881 9.807 -0.815 1.00 19.03 C ATOM 511 OH TYR C 67 -1.618 10.237 -0.506 1.00 19.93 O ATOM 512 HH TYR C 67 -1.618 10.632 0.402 1.00 0.00 H ATOM 513 H TYR C 67 -6.262 7.452 0.568 1.00 0.00 H ATOM 514 N ASP C 68 -6.660 5.522 -3.314 1.00 12.14 N ATOM 515 CA ASP C 68 -5.828 4.678 -4.189 1.00 13.32 C ATOM 516 C ASP C 68 -4.629 5.513 -4.680 1.00 15.11 C ATOM 517 O ASP C 68 -4.814 6.620 -5.220 1.00 15.33 O ATOM 518 CB ASP C 68 -6.686 4.179 -5.357 1.00 14.47 C ATOM 519 CG ASP C 68 -5.958 3.182 -6.241 1.00 17.28 C ATOM 520 OD1 ASP C 68 -4.955 3.533 -6.893 1.00 17.88 O ATOM 521 OD2 ASP C 68 -6.409 2.032 -6.293 1.00 19.30 O ATOM 522 H ASP C 68 -7.630 5.760 -3.605 1.00 0.00 H ATOM 523 N ALA C 69 -3.409 4.992 -4.512 1.00 15.45 N ATOM 524 CA ALA C 69 -2.195 5.774 -4.801 1.00 15.45 C ATOM 525 C ALA C 69 -2.063 6.108 -6.296 1.00 16.04 C ATOM 526 O ALA C 69 -1.500 7.132 -6.659 1.00 18.61 O ATOM 527 CB ALA C 69 -0.934 5.062 -4.275 1.00 18.96 C ATOM 528 H ALA C 69 -3.316 4.014 -4.170 1.00 0.00 H ATOM 529 N ALA C 70 -2.572 5.240 -7.158 1.00 15.00 N ATOM 530 CA ALA C 70 -2.462 5.434 -8.625 1.00 16.70 C ATOM 531 C ALA C 70 -3.666 6.129 -9.260 1.00 19.12 C ATOM 532 O ALA C 70 -3.508 6.847 -10.248 1.00 23.99 O ATOM 533 CB ALA C 70 -2.222 4.084 -9.312 1.00 21.46 C ATOM 534 H ALA C 70 -3.063 4.398 -6.796 1.00 0.00 H ATOM 535 N GLN C 71 -4.869 5.871 -8.731 1.00 17.14 N ATOM 536 CA GLN C 71 -6.121 6.473 -9.224 1.00 16.86 C ATOM 537 C GLN C 71 -6.736 7.195 -8.031 1.00 13.79 C ATOM 538 O GLN C 71 -7.610 6.647 -7.310 1.00 14.51 O ATOM 539 CB GLN C 71 -7.092 5.409 -9.744 1.00 19.99 C ATOM 540 CG GLN C 71 -6.595 4.559 -10.900 1.00 24.93 C ATOM 541 CD GLN C 71 -7.671 3.571 -11.320 1.00 34.98 C ATOM 542 OE1 GLN C 71 -7.744 2.453 -10.801 1.00 42.11 O ATOM 543 NE2 GLN C 71 -8.550 3.999 -12.224 1.00 40.29 N ATOM 544 HE22 GLN C 71 -8.451 4.949 -12.636 1.00 0.00 H ATOM 545 HE21 GLN C 71 -9.335 3.384 -12.518 1.00 0.00 H ATOM 546 H GLN C 71 -4.923 5.211 -7.929 1.00 0.00 H ATOM 547 N GLN C 72 -6.266 8.427 -7.814 1.00 12.96 N ATOM 548 CA GLN C 72 -6.502 9.097 -6.535 1.00 12.84 C ATOM 549 C GLN C 72 -7.923 9.631 -6.295 1.00 13.70 C ATOM 550 O GLN C 72 -8.194 10.157 -5.213 1.00 14.30 O ATOM 551 CB GLN C 72 -5.421 10.166 -6.270 1.00 12.85 C ATOM 552 CG GLN C 72 -4.015 9.582 -6.304 1.00 13.36 C ATOM 553 CD GLN C 72 -2.993 10.379 -5.530 1.00 15.55 C ATOM 554 OE1 GLN C 72 -3.251 11.503 -5.041 1.00 16.41 O ATOM 555 NE2 GLN C 72 -1.821 9.812 -5.404 1.00 17.15 N ATOM 556 HE22 GLN C 72 -1.648 8.877 -5.825 1.00 0.00 H ATOM 557 HE21 GLN C 72 -1.063 10.296 -4.882 1.00 0.00 H ATOM 558 H GLN C 72 -5.728 8.913 -8.560 1.00 0.00 H ATOM 559 N HIS C 73 -8.845 9.440 -7.238 1.00 11.78 N ATOM 560 CA HIS C 73 -10.252 9.761 -6.994 1.00 13.16 C ATOM 561 C HIS C 73 -11.016 8.604 -6.338 1.00 11.82 C ATOM 562 O HIS C 73 -12.207 8.741 -6.029 1.00 14.21 O ATOM 563 CB HIS C 73 -10.940 10.162 -8.292 1.00 15.05 C ATOM 564 CG HIS C 73 -11.083 9.024 -9.253 1.00 17.34 C ATOM 565 ND1 HIS C 73 -10.050 8.600 -10.062 1.00 23.88 N ATOM 566 CD2 HIS C 73 -12.130 8.209 -9.520 1.00 19.68 C ATOM 567 CE1 HIS C 73 -10.458 7.577 -10.795 1.00 26.35 C ATOM 568 NE2 HIS C 73 -11.719 7.324 -10.491 1.00 25.82 N ATOM 569 H HIS C 73 -8.560 9.057 -8.162 1.00 0.00 H ATOM 570 N ILE C 74 -10.343 7.468 -6.141 1.00 11.75 N ATOM 571 CA ILE C 74 -10.971 6.321 -5.472 1.00 12.14 C ATOM 572 C ILE C 74 -10.524 6.262 -4.010 1.00 11.88 C ATOM 573 O ILE C 74 -9.316 6.332 -3.709 1.00 14.31 O ATOM 574 CB ILE C 74 -10.616 4.992 -6.192 1.00 13.26 C ATOM 575 CG1 ILE C 74 -10.977 5.107 -7.671 1.00 17.27 C ATOM 576 CG2 ILE C 74 -11.255 3.774 -5.501 1.00 16.34 C ATOM 577 CD1 ILE C 74 -12.461 5.275 -7.933 1.00 23.81 C ATOM 578 H ILE C 74 -9.358 7.394 -6.467 1.00 0.00 H ATOM 579 N VAL C 75 -11.507 6.146 -3.119 1.00 11.16 N ATOM 580 CA VAL C 75 -11.252 6.054 -1.676 1.00 12.17 C ATOM 581 C VAL C 75 -11.692 4.650 -1.198 1.00 12.69 C ATOM 582 O VAL C 75 -12.816 4.209 -1.514 1.00 14.76 O ATOM 583 CB VAL C 75 -12.026 7.153 -0.894 1.00 12.56 C ATOM 584 CG1 VAL C 75 -11.857 6.996 0.626 1.00 15.03 C ATOM 585 CG2 VAL C 75 -11.534 8.525 -1.342 1.00 16.30 C ATOM 586 H VAL C 75 -12.490 6.120 -3.457 1.00 0.00 H ATOM 587 N TYR C 76 -10.821 3.979 -0.453 1.00 12.00 N ATOM 588 CA TYR C 76 -11.141 2.663 0.176 1.00 13.17 C ATOM 589 C TYR C 76 -11.338 2.818 1.675 1.00 14.32 C ATOM 590 O TYR C 76 -10.428 3.268 2.373 1.00 18.06 O ATOM 591 CB TYR C 76 -9.983 1.680 -0.048 1.00 14.47 C ATOM 592 CG TYR C 76 -9.664 1.487 -1.513 1.00 12.91 C ATOM 593 CD1 TYR C 76 -10.601 0.910 -2.375 1.00 13.38 C ATOM 594 CD2 TYR C 76 -8.449 1.912 -2.032 1.00 14.24 C ATOM 595 CE1 TYR C 76 -10.333 0.768 -3.727 1.00 15.06 C ATOM 596 CE2 TYR C 76 -8.164 1.765 -3.373 1.00 15.30 C ATOM 597 CZ TYR C 76 -9.108 1.204 -4.222 1.00 14.30 C ATOM 598 OH TYR C 76 -8.812 1.080 -5.567 1.00 17.36 O ATOM 599 HH TYR C 76 -8.636 1.976 -5.949 1.00 0.00 H ATOM 600 H TYR C 76 -9.877 4.387 -0.301 1.00 0.00 H ATOM 601 N CYS C 77 -12.491 2.383 2.177 1.00 14.62 N ATOM 602 CA CYS C 77 -12.840 2.650 3.563 1.00 15.86 C ATOM 603 C CYS C 77 -13.558 1.511 4.272 1.00 15.65 C ATOM 604 O CYS C 77 -14.199 1.736 5.285 1.00 16.35 O ATOM 605 CB CYS C 77 -13.671 3.946 3.650 1.00 16.69 C ATOM 606 SG CYS C 77 -15.096 3.976 2.529 1.00 18.60 S ATOM 607 H CYS C 77 -13.148 1.848 1.573 1.00 0.00 H ATOM 608 N SER C 78 -13.449 0.285 3.748 1.00 15.32 N ATOM 609 CA SER C 78 -14.173 -0.854 4.332 1.00 15.23 C ATOM 610 C SER C 78 -13.933 -0.996 5.842 1.00 15.11 C ATOM 611 O SER C 78 -12.774 -1.200 6.286 1.00 16.40 O ATOM 612 CB SER C 78 -13.773 -2.170 3.660 1.00 16.06 C ATOM 613 OG SER C 78 -14.530 -3.225 4.270 1.00 20.53 O ATOM 614 HG SER C 78 -15.496 -3.054 4.141 1.00 0.00 H ATOM 615 H SER C 78 -12.844 0.135 2.916 1.00 0.00 H ATOM 616 N ASN C 79 -15.033 -0.910 6.613 1.00 15.53 N ATOM 617 CA ASN C 79 -15.019 -1.089 8.079 1.00 14.60 C ATOM 618 C ASN C 79 -14.262 -0.029 8.882 1.00 16.99 C ATOM 619 O ASN C 79 -14.221 -0.114 10.106 1.00 17.28 O ATOM 620 CB ASN C 79 -14.533 -2.488 8.475 1.00 16.27 C ATOM 621 CG ASN C 79 -15.542 -3.556 8.141 1.00 18.74 C ATOM 622 OD1 ASN C 79 -16.441 -3.832 8.927 1.00 23.08 O ATOM 623 ND2 ASN C 79 -15.407 -4.154 6.967 1.00 19.06 N ATOM 624 HD22 ASN C 79 -14.627 -3.886 6.333 1.00 0.00 H ATOM 625 HD21 ASN C 79 -16.081 -4.892 6.679 1.00 0.00 H ATOM 626 H ASN C 79 -15.942 -0.706 6.151 1.00 0.00 H ATOM 627 N ASP C 80 -13.688 0.970 8.195 1.00 16.16 N ATOM 628 CA ASP C 80 -13.164 2.168 8.853 1.00 16.37 C ATOM 629 C ASP C 80 -14.349 2.925 9.416 1.00 15.42 C ATOM 630 O ASP C 80 -15.468 2.725 8.956 1.00 15.82 O ATOM 631 CB ASP C 80 -12.451 3.046 7.809 1.00 20.69 C ATOM 632 CG ASP C 80 -11.681 4.155 8.428 1.00 26.60 C ATOM 633 OD1 ASP C 80 -12.287 5.234 8.676 1.00 25.41 O ATOM 634 OD2 ASP C 80 -10.478 3.949 8.681 1.00 30.41 O ATOM 635 H ASP C 80 -13.613 0.891 7.161 1.00 0.00 H ATOM 636 N LEU C 81 -14.114 3.800 10.402 1.00 16.78 N ATOM 637 CA LEU C 81 -15.153 4.737 10.860 1.00 19.53 C ATOM 638 C LEU C 81 -15.882 5.375 9.656 1.00 19.53 C ATOM 639 O LEU C 81 -17.114 5.518 9.640 1.00 20.17 O ATOM 640 CB LEU C 81 -14.497 5.864 11.651 1.00 27.12 C ATOM 641 CG LEU C 81 -14.836 6.098 13.105 1.00 37.84 C ATOM 642 CD1 LEU C 81 -14.147 7.386 13.540 1.00 32.83 C ATOM 643 CD2 LEU C 81 -16.350 6.194 13.268 1.00 36.11 C ATOM 644 H LEU C 81 -13.177 3.818 10.854 1.00 0.00 H ATOM 645 N LEU C 82 -15.100 5.777 8.652 1.00 14.82 N ATOM 646 CA LEU C 82 -15.666 6.416 7.451 1.00 14.21 C ATOM 647 C LEU C 82 -16.581 5.479 6.644 1.00 15.25 C ATOM 648 O LEU C 82 -17.670 5.852 6.238 1.00 15.38 O ATOM 649 CB LEU C 82 -14.546 7.006 6.562 1.00 16.92 C ATOM 650 CG LEU C 82 -15.014 7.677 5.252 1.00 15.76 C ATOM 651 CD1 LEU C 82 -15.884 8.896 5.576 1.00 19.19 C ATOM 652 CD2 LEU C 82 -13.836 8.108 4.371 1.00 19.48 C ATOM 653 H LEU C 82 -14.072 5.637 8.719 1.00 0.00 H ATOM 654 N GLY C 83 -16.150 4.249 6.420 1.00 16.93 N ATOM 655 CA GLY C 83 -17.013 3.283 5.735 1.00 17.52 C ATOM 656 C GLY C 83 -18.283 2.968 6.530 1.00 16.87 C ATOM 657 O GLY C 83 -19.342 2.748 5.946 1.00 20.07 O ATOM 658 H GLY C 83 -15.198 3.967 6.730 1.00 0.00 H ATOM 659 N ASP C 84 -18.184 2.938 7.860 1.00 19.17 N ATOM 660 CA ASP C 84 -19.370 2.715 8.715 1.00 22.49 C ATOM 661 C ASP C 84 -20.370 3.874 8.601 1.00 23.30 C ATOM 662 O ASP C 84 -21.583 3.649 8.572 1.00 26.32 O ATOM 663 CB ASP C 84 -18.990 2.485 10.191 1.00 25.06 C ATOM 664 CG ASP C 84 -18.216 1.184 10.413 1.00 32.56 C ATOM 665 OD1 ASP C 84 -18.155 0.346 9.492 1.00 33.97 O ATOM 666 OD2 ASP C 84 -17.670 0.988 11.523 1.00 37.97 O ATOM 667 H ASP C 84 -17.254 3.074 8.305 1.00 0.00 H ATOM 668 N LEU C 85 -19.869 5.110 8.542 1.00 17.57 N ATOM 669 CA LEU C 85 -20.724 6.299 8.426 1.00 20.69 C ATOM 670 C LEU C 85 -21.354 6.425 7.048 1.00 19.33 C ATOM 671 O LEU C 85 -22.498 6.878 6.930 1.00 21.67 O ATOM 672 CB LEU C 85 -19.939 7.589 8.700 1.00 20.95 C ATOM 673 CG LEU C 85 -19.183 7.721 10.006 1.00 22.77 C ATOM 674 CD1 LEU C 85 -18.277 8.938 9.976 1.00 24.94 C ATOM 675 CD2 LEU C 85 -20.156 7.797 11.162 1.00 30.46 C ATOM 676 H LEU C 85 -18.837 5.236 8.579 1.00 0.00 H ATOM 677 N PHE C 86 -20.597 6.061 6.011 1.00 19.85 N ATOM 678 CA PHE C 86 -21.087 6.159 4.639 1.00 20.02 C ATOM 679 C PHE C 86 -21.857 4.920 4.196 1.00 23.37 C ATOM 680 O PHE C 86 -22.679 5.015 3.288 1.00 29.82 O ATOM 681 CB PHE C 86 -19.924 6.403 3.668 1.00 19.10 C ATOM 682 CG PHE C 86 -19.481 7.846 3.557 1.00 22.95 C ATOM 683 CD1 PHE C 86 -19.916 8.826 4.456 1.00 24.39 C ATOM 684 CD2 PHE C 86 -18.598 8.218 2.550 1.00 23.76 C ATOM 685 CE1 PHE C 86 -19.478 10.154 4.337 1.00 22.00 C ATOM 686 CE2 PHE C 86 -18.165 9.540 2.428 1.00 24.17 C ATOM 687 CZ PHE C 86 -18.609 10.507 3.322 1.00 21.94 C ATOM 688 H PHE C 86 -19.637 5.700 6.184 1.00 0.00 H ATOM 689 N GLY C 87 -21.582 3.771 4.820 1.00 23.29 N ATOM 690 CA GLY C 87 -22.236 2.482 4.465 1.00 23.76 C ATOM 691 C GLY C 87 -21.736 1.782 3.202 1.00 26.50 C ATOM 692 O GLY C 87 -22.468 0.977 2.583 1.00 29.30 O ATOM 693 H GLY C 87 -20.880 3.778 5.587 1.00 0.00 H ATOM 694 N VAL C 88 -20.494 2.091 2.822 1.00 24.33 N ATOM 695 CA VAL C 88 -19.839 1.575 1.607 1.00 24.11 C ATOM 696 C VAL C 88 -18.382 1.148 1.891 1.00 23.14 C ATOM 697 O VAL C 88 -17.761 1.676 2.816 1.00 20.42 O ATOM 698 CB VAL C 88 -19.890 2.608 0.440 1.00 25.86 C ATOM 699 CG1 VAL C 88 -21.333 2.904 0.053 1.00 28.35 C ATOM 700 CG2 VAL C 88 -19.153 3.905 0.789 1.00 28.98 C ATOM 701 H VAL C 88 -19.951 2.741 3.425 1.00 0.00 H ATOM 702 N PRO C 89 -17.844 0.173 1.121 1.00 19.47 N ATOM 703 CA PRO C 89 -16.421 -0.193 1.219 1.00 18.80 C ATOM 704 C PRO C 89 -15.476 0.705 0.427 1.00 16.58 C ATOM 705 O PRO C 89 -14.254 0.686 0.665 1.00 15.64 O ATOM 706 CB PRO C 89 -16.384 -1.580 0.584 1.00 21.19 C ATOM 707 CG PRO C 89 -17.501 -1.549 -0.412 1.00 24.36 C ATOM 708 CD PRO C 89 -18.589 -0.775 0.263 1.00 23.63 C ATOM 709 N SER C 90 -16.022 1.425 -0.550 1.00 17.92 N ATOM 710 CA SER C 90 -15.249 2.333 -1.407 1.00 16.26 C ATOM 711 C SER C 90 -16.198 3.302 -2.122 1.00 14.90 C ATOM 712 O SER C 90 -17.400 3.036 -2.259 1.00 17.57 O ATOM 713 CB SER C 90 -14.410 1.557 -2.438 1.00 15.99 C ATOM 714 OG SER C 90 -15.203 1.122 -3.534 1.00 18.46 O ATOM 715 HG SER C 90 -15.923 0.528 -3.204 1.00 0.00 H ATOM 716 H SER C 90 -17.045 1.341 -0.714 1.00 0.00 H ATOM 717 N PHE C 91 -15.654 4.428 -2.575 1.00 13.22 N ATOM 718 CA PHE C 91 -16.424 5.359 -3.391 1.00 15.08 C ATOM 719 C PHE C 91 -15.493 6.210 -4.237 1.00 12.79 C ATOM 720 O PHE C 91 -14.284 6.239 -4.000 1.00 14.77 O ATOM 721 CB PHE C 91 -17.331 6.250 -2.528 1.00 16.76 C ATOM 722 CG PHE C 91 -16.583 7.126 -1.571 1.00 14.78 C ATOM 723 CD1 PHE C 91 -16.188 6.636 -0.330 1.00 17.25 C ATOM 724 CD2 PHE C 91 -16.279 8.460 -1.907 1.00 14.01 C ATOM 725 CE1 PHE C 91 -15.483 7.437 0.565 1.00 16.55 C ATOM 726 CE2 PHE C 91 -15.579 9.259 -1.016 1.00 16.62 C ATOM 727 CZ PHE C 91 -15.185 8.764 0.219 1.00 17.66 C ATOM 728 H PHE C 91 -14.664 4.648 -2.344 1.00 0.00 H ATOM 729 N SER C 92 -16.075 6.859 -5.240 1.00 14.49 N ATOM 730 CA SER C 92 -15.340 7.792 -6.092 1.00 14.22 C ATOM 731 C SER C 92 -15.628 9.238 -5.679 1.00 13.11 C ATOM 732 O SER C 92 -16.790 9.637 -5.501 1.00 15.58 O ATOM 733 CB SER C 92 -15.715 7.580 -7.568 1.00 18.45 C ATOM 734 OG SER C 92 -15.143 8.615 -8.375 1.00 19.66 O ATOM 735 HG SER C 92 -15.391 8.468 -9.322 1.00 0.00 H ATOM 736 H SER C 92 -17.086 6.698 -5.425 1.00 0.00 H ATOM 737 N VAL C 93 -14.564 10.017 -5.578 1.00 12.78 N ATOM 738 CA VAL C 93 -14.672 11.446 -5.257 1.00 14.47 C ATOM 739 C VAL C 93 -15.481 12.209 -6.308 1.00 17.86 C ATOM 740 O VAL C 93 -16.051 13.255 -6.001 1.00 21.95 O ATOM 741 CB VAL C 93 -13.274 12.068 -5.035 1.00 15.68 C ATOM 742 CG1 VAL C 93 -13.369 13.563 -4.677 1.00 18.28 C ATOM 743 CG2 VAL C 93 -12.538 11.296 -3.943 1.00 16.02 C ATOM 744 H VAL C 93 -13.621 9.605 -5.731 1.00 0.00 H ATOM 745 N LYS C 94 -15.531 11.685 -7.535 1.00 17.24 N ATOM 746 CA LYS C 94 -16.295 12.300 -8.624 1.00 21.10 C ATOM 747 C LYS C 94 -17.812 12.256 -8.418 1.00 21.69 C ATOM 748 O LYS C 94 -18.547 12.999 -9.072 1.00 27.34 O ATOM 749 CB LYS C 94 -15.920 11.665 -9.976 1.00 22.43 C ATOM 750 CG LYS C 94 -14.434 11.765 -10.271 1.00 24.91 C ATOM 751 CD LYS C 94 -14.059 11.099 -11.581 1.00 33.21 C ATOM 752 CE LYS C 94 -12.602 11.383 -11.933 1.00 40.75 C ATOM 753 NZ LYS C 94 -12.234 10.808 -13.257 1.00 42.39 N ATOM 754 HZ1 LYS C 94 -12.372 9.777 -13.236 1.00 0.00 H ATOM 755 HZ2 LYS C 94 -12.837 11.225 -13.994 1.00 0.00 H ATOM 756 HZ3 LYS C 94 -11.237 11.022 -13.461 1.00 0.00 H ATOM 757 H LYS C 94 -15.008 10.807 -7.725 1.00 0.00 H ATOM 758 N GLU C 95 -18.278 11.400 -7.504 1.00 20.70 N ATOM 759 CA GLU C 95 -19.703 11.275 -7.244 1.00 21.93 C ATOM 760 C GLU C 95 -20.147 12.287 -6.192 1.00 21.33 C ATOM 761 O GLU C 95 -20.469 11.920 -5.059 1.00 21.11 O ATOM 762 CB GLU C 95 -20.032 9.846 -6.808 1.00 24.64 C ATOM 763 CG GLU C 95 -19.772 8.830 -7.909 1.00 34.70 C ATOM 764 CD GLU C 95 -20.780 7.704 -7.882 1.00 51.77 C ATOM 765 OE1 GLU C 95 -20.542 6.707 -7.165 1.00 62.71 O ATOM 766 OE2 GLU C 95 -21.813 7.820 -8.581 1.00 74.70 O ATOM 767 H GLU C 95 -17.608 10.812 -6.968 1.00 0.00 H ATOM 768 N HIS C 96 -20.147 13.563 -6.578 1.00 21.29 N ATOM 769 CA HIS C 96 -20.365 14.647 -5.627 1.00 20.51 C ATOM 770 C HIS C 96 -21.674 14.522 -4.862 1.00 21.95 C ATOM 771 O HIS C 96 -21.700 14.654 -3.627 1.00 22.25 O ATOM 772 CB HIS C 96 -20.266 16.017 -6.317 1.00 24.26 C ATOM 773 CG HIS C 96 -18.907 16.313 -6.878 1.00 30.33 C ATOM 774 ND1 HIS C 96 -18.646 17.429 -7.646 1.00 35.63 N ATOM 775 CD2 HIS C 96 -17.734 15.641 -6.783 1.00 30.14 C ATOM 776 CE1 HIS C 96 -17.370 17.435 -7.993 1.00 43.65 C ATOM 777 NE2 HIS C 96 -16.794 16.358 -7.484 1.00 36.40 N ATOM 778 H HIS C 96 -19.988 13.791 -7.580 1.00 0.00 H ATOM 779 N ARG C 97 -22.759 14.239 -5.571 1.00 25.06 N ATOM 780 CA ARG C 97 -24.070 14.257 -4.913 1.00 26.87 C ATOM 781 C ARG C 97 -24.269 13.061 -3.985 1.00 25.23 C ATOM 782 O ARG C 97 -24.874 13.206 -2.899 1.00 22.29 O ATOM 783 CB ARG C 97 -25.201 14.417 -5.930 1.00 34.05 C ATOM 784 CG ARG C 97 -25.084 15.738 -6.685 1.00 45.40 C ATOM 785 CD ARG C 97 -26.303 16.052 -7.528 1.00 56.25 C ATOM 786 NE ARG C 97 -26.884 14.846 -8.129 1.00 63.15 N ATOM 787 CZ ARG C 97 -26.507 14.305 -9.287 1.00 62.65 C ATOM 788 NH1 ARG C 97 -25.532 14.849 -10.008 1.00 57.31 N ATOM 789 NH2 ARG C 97 -27.115 13.210 -9.727 1.00 58.70 N ATOM 790 HE ARG C 97 -27.652 14.375 -7.609 1.00 0.00 H ATOM 791 HH12 ARG C 97 -25.248 14.416 -10.910 1.00 0.00 H ATOM 792 HH11 ARG C 97 -25.053 15.708 -9.670 1.00 0.00 H ATOM 793 HH22 ARG C 97 -26.826 12.782 -10.630 1.00 0.00 H ATOM 794 HH21 ARG C 97 -27.880 12.780 -9.169 1.00 0.00 H ATOM 795 H ARG C 97 -22.681 14.007 -6.582 1.00 0.00 H ATOM 796 N LYS C 98 -23.743 11.900 -4.389 1.00 23.54 N ATOM 797 CA LYS C 98 -23.727 10.732 -3.518 1.00 19.50 C ATOM 798 C LYS C 98 -22.955 11.026 -2.212 1.00 17.41 C ATOM 799 O LYS C 98 -23.404 10.664 -1.121 1.00 18.60 O ATOM 800 CB LYS C 98 -23.120 9.518 -4.223 1.00 25.10 C ATOM 801 CG LYS C 98 -23.258 8.252 -3.392 1.00 29.80 C ATOM 802 CD LYS C 98 -22.601 7.052 -4.055 1.00 37.77 C ATOM 803 CE LYS C 98 -22.593 5.852 -3.118 1.00 49.13 C ATOM 804 NZ LYS C 98 -22.597 4.576 -3.890 1.00 74.54 N ATOM 805 HZ1 LYS C 98 -23.451 4.533 -4.482 1.00 0.00 H ATOM 806 HZ2 LYS C 98 -21.752 4.535 -4.494 1.00 0.00 H ATOM 807 HZ3 LYS C 98 -22.591 3.773 -3.230 1.00 0.00 H ATOM 808 H LYS C 98 -23.337 11.829 -5.344 1.00 0.00 H ATOM 809 N ILE C 99 -21.799 11.679 -2.323 1.00 16.21 N ATOM 810 CA ILE C 99 -20.995 12.017 -1.129 1.00 14.57 C ATOM 811 C ILE C 99 -21.760 12.975 -0.212 1.00 14.96 C ATOM 812 O ILE C 99 -21.842 12.753 1.005 1.00 14.41 O ATOM 813 CB ILE C 99 -19.609 12.553 -1.503 1.00 14.89 C ATOM 814 CG1 ILE C 99 -18.781 11.426 -2.153 1.00 14.73 C ATOM 815 CG2 ILE C 99 -18.888 13.114 -0.268 1.00 15.79 C ATOM 816 CD1 ILE C 99 -17.596 11.943 -2.960 1.00 15.88 C ATOM 817 H ILE C 99 -21.456 11.956 -3.265 1.00 0.00 H ATOM 818 N TYR C 100 -22.347 14.018 -0.790 1.00 16.44 N ATOM 819 CA TYR C 100 -23.160 14.922 0.035 1.00 17.36 C ATOM 820 C TYR C 100 -24.298 14.229 0.776 1.00 16.86 C ATOM 821 O TYR C 100 -24.496 14.476 1.975 1.00 17.56 O ATOM 822 CB TYR C 100 -23.654 16.132 -0.768 1.00 18.62 C ATOM 823 CG TYR C 100 -22.613 17.232 -0.839 1.00 22.64 C ATOM 824 CD1 TYR C 100 -22.546 18.217 0.152 1.00 26.24 C ATOM 825 CD2 TYR C 100 -21.698 17.287 -1.879 1.00 27.39 C ATOM 826 CE1 TYR C 100 -21.593 19.218 0.100 1.00 34.61 C ATOM 827 CE2 TYR C 100 -20.730 18.271 -1.939 1.00 31.35 C ATOM 828 CZ TYR C 100 -20.691 19.237 -0.950 1.00 32.61 C ATOM 829 OH TYR C 100 -19.757 20.232 -0.997 1.00 41.83 O ATOM 830 HH TYR C 100 -19.874 20.830 -0.217 1.00 0.00 H ATOM 831 H TYR C 100 -22.233 14.191 -1.809 1.00 0.00 H ATOM 832 N THR C 101 -25.029 13.351 0.102 1.00 16.42 N ATOM 833 CA THR C 101 -26.141 12.676 0.778 1.00 18.37 C ATOM 834 C THR C 101 -25.645 11.754 1.885 1.00 17.64 C ATOM 835 O THR C 101 -26.314 11.643 2.910 1.00 17.39 O ATOM 836 CB THR C 101 -27.070 11.904 -0.172 1.00 21.53 C ATOM 837 OG1 THR C 101 -26.340 10.860 -0.824 1.00 19.89 O ATOM 838 CG2 THR C 101 -27.678 12.839 -1.191 1.00 22.09 C ATOM 839 HG1 THR C 101 -25.595 11.254 -1.343 1.00 0.00 H ATOM 840 H THR C 101 -24.816 13.144 -0.895 1.00 0.00 H ATOM 841 N MET C 102 -24.486 11.110 1.690 1.00 16.66 N ATOM 842 CA MET C 102 -23.900 10.272 2.752 1.00 18.04 C ATOM 843 C MET C 102 -23.502 11.096 3.978 1.00 17.78 C ATOM 844 O MET C 102 -23.721 10.671 5.118 1.00 19.89 O ATOM 845 CB MET C 102 -22.709 9.420 2.245 1.00 20.09 C ATOM 846 CG MET C 102 -23.077 8.393 1.156 1.00 22.38 C ATOM 847 SD MET C 102 -21.759 7.276 0.538 1.00 27.58 S ATOM 848 CE MET C 102 -20.745 8.326 -0.515 1.00 27.80 C ATOM 849 H MET C 102 -23.994 11.203 0.778 1.00 0.00 H ATOM 850 N ILE C 103 -22.918 12.269 3.735 1.00 15.58 N ATOM 851 CA ILE C 103 -22.552 13.197 4.803 1.00 14.86 C ATOM 852 C ILE C 103 -23.798 13.736 5.520 1.00 15.95 C ATOM 853 O ILE C 103 -23.848 13.736 6.745 1.00 15.83 O ATOM 854 CB ILE C 103 -21.669 14.364 4.280 1.00 14.62 C ATOM 855 CG1 ILE C 103 -20.323 13.820 3.764 1.00 15.71 C ATOM 856 CG2 ILE C 103 -21.459 15.404 5.387 1.00 17.77 C ATOM 857 CD1 ILE C 103 -19.512 14.843 2.984 1.00 16.93 C ATOM 858 H ILE C 103 -22.715 12.534 2.750 1.00 0.00 H ATOM 859 N TYR C 104 -24.795 14.183 4.761 1.00 17.08 N ATOM 860 CA TYR C 104 -26.023 14.749 5.343 1.00 18.09 C ATOM 861 C TYR C 104 -26.715 13.814 6.348 1.00 18.19 C ATOM 862 O TYR C 104 -27.227 14.274 7.369 1.00 19.84 O ATOM 863 CB TYR C 104 -27.033 15.132 4.253 1.00 21.43 C ATOM 864 CG TYR C 104 -26.686 16.298 3.368 1.00 20.68 C ATOM 865 CD1 TYR C 104 -25.872 17.350 3.813 1.00 21.74 C ATOM 866 CD2 TYR C 104 -27.229 16.382 2.083 1.00 22.28 C ATOM 867 CE1 TYR C 104 -25.585 18.436 2.983 1.00 27.14 C ATOM 868 CE2 TYR C 104 -26.942 17.454 1.249 1.00 24.68 C ATOM 869 CZ TYR C 104 -26.127 18.483 1.707 1.00 26.99 C ATOM 870 OH TYR C 104 -25.845 19.552 0.882 1.00 34.09 O ATOM 871 HH TYR C 104 -25.256 20.189 1.359 1.00 0.00 H ATOM 872 H TYR C 104 -24.704 14.131 3.726 1.00 0.00 H ATOM 873 N ARG C 105 -26.745 12.508 6.067 1.00 19.19 N ATOM 874 CA ARG C 105 -27.316 11.526 7.014 1.00 20.96 C ATOM 875 C ARG C 105 -26.645 11.518 8.390 1.00 19.35 C ATOM 876 O ARG C 105 -27.226 11.008 9.371 1.00 20.74 O ATOM 877 CB ARG C 105 -27.256 10.100 6.434 1.00 25.56 C ATOM 878 CG ARG C 105 -28.108 9.891 5.202 1.00 30.64 C ATOM 879 CD ARG C 105 -27.940 8.488 4.654 1.00 46.01 C ATOM 880 NE ARG C 105 -28.868 8.262 3.545 1.00 59.75 N ATOM 881 CZ ARG C 105 -28.509 8.073 2.279 1.00 59.74 C ATOM 882 NH1 ARG C 105 -27.223 8.060 1.935 1.00 72.98 N ATOM 883 NH2 ARG C 105 -29.442 7.886 1.353 1.00 60.52 N ATOM 884 HE ARG C 105 -29.885 8.248 3.764 1.00 0.00 H ATOM 885 HH12 ARG C 105 -26.952 7.911 0.942 1.00 0.00 H ATOM 886 HH11 ARG C 105 -26.490 8.198 2.659 1.00 0.00 H ATOM 887 HH22 ARG C 105 -29.168 7.738 0.361 1.00 0.00 H ATOM 888 HH21 ARG C 105 -30.447 7.888 1.620 1.00 0.00 H ATOM 889 H ARG C 105 -26.358 12.174 5.161 1.00 0.00 H ATOM 890 N ASN C 106 -25.430 12.073 8.458 1.00 16.92 N ATOM 891 CA ASN C 106 -24.603 12.037 9.659 1.00 17.01 C ATOM 892 C ASN C 106 -24.501 13.353 10.417 1.00 17.54 C ATOM 893 O ASN C 106 -23.607 13.537 11.249 1.00 17.18 O ATOM 894 CB ASN C 106 -23.219 11.503 9.302 1.00 17.55 C ATOM 895 CG ASN C 106 -23.253 10.018 9.026 1.00 18.02 C ATOM 896 OD1 ASN C 106 -23.357 9.213 9.941 1.00 22.30 O ATOM 897 ND2 ASN C 106 -23.221 9.654 7.766 1.00 18.76 N ATOM 898 HD22 ASN C 106 -23.131 10.372 7.019 1.00 0.00 H ATOM 899 HD21 ASN C 106 -23.285 8.647 7.514 1.00 0.00 H ATOM 900 H ASN C 106 -25.057 12.553 7.614 1.00 0.00 H ATOM 901 N LEU C 107 -25.443 14.254 10.163 1.00 18.88 N ATOM 902 CA LEU C 107 -25.451 15.527 10.856 1.00 18.99 C ATOM 903 C LEU C 107 -26.838 16.116 10.926 1.00 16.57 C ATOM 904 O LEU C 107 -27.753 15.647 10.245 1.00 18.01 O ATOM 905 CB LEU C 107 -24.480 16.514 10.197 1.00 22.06 C ATOM 906 CG LEU C 107 -24.661 16.804 8.712 1.00 19.57 C ATOM 907 CD1 LEU C 107 -25.743 17.844 8.502 1.00 25.15 C ATOM 908 CD2 LEU C 107 -23.323 17.278 8.146 1.00 22.14 C ATOM 909 H LEU C 107 -26.181 14.044 9.461 1.00 0.00 H ATOM 910 N VAL C 108 -26.968 17.163 11.749 1.00 14.47 N ATOM 911 CA VAL C 108 -28.217 17.882 11.939 1.00 15.13 C ATOM 912 C VAL C 108 -27.919 19.350 11.594 1.00 14.95 C ATOM 913 O VAL C 108 -26.857 19.841 11.947 1.00 17.35 O ATOM 914 CB VAL C 108 -28.661 17.685 13.421 1.00 20.60 C ATOM 915 CG1 VAL C 108 -29.684 18.701 13.868 1.00 30.04 C ATOM 916 CG2 VAL C 108 -29.165 16.251 13.619 1.00 22.37 C ATOM 917 H VAL C 108 -26.132 17.479 12.281 1.00 0.00 H ATOM 918 N VAL C 109 -28.829 20.026 10.881 1.00 14.93 N ATOM 919 CA VAL C 109 -28.671 21.465 10.587 1.00 13.53 C ATOM 920 C VAL C 109 -29.071 22.263 11.823 1.00 14.68 C ATOM 921 O VAL C 109 -30.056 21.944 12.484 1.00 17.65 O ATOM 922 CB VAL C 109 -29.509 21.884 9.350 1.00 15.77 C ATOM 923 CG1 VAL C 109 -29.388 23.377 9.074 1.00 15.57 C ATOM 924 CG2 VAL C 109 -29.079 21.082 8.118 1.00 18.21 C ATOM 925 H VAL C 109 -29.668 19.525 10.525 1.00 0.00 H ATOM 926 N VAL C 110 -28.298 23.298 12.140 1.00 14.03 N ATOM 927 CA VAL C 110 -28.615 24.165 13.280 1.00 16.69 C ATOM 928 C VAL C 110 -28.731 25.625 12.847 1.00 18.23 C ATOM 929 O VAL C 110 -28.330 26.002 11.720 1.00 20.91 O ATOM 930 CB VAL C 110 -27.586 24.008 14.429 1.00 20.43 C ATOM 931 CG1 VAL C 110 -27.564 22.576 14.901 1.00 21.64 C ATOM 932 CG2 VAL C 110 -26.192 24.419 13.976 1.00 21.69 C ATOM 933 H VAL C 110 -27.452 23.496 11.568 1.00 0.00 H ATOM 934 N ASN C 111 -29.289 26.431 13.751 1.00 23.15 N ATOM 935 CA ASN C 111 -29.497 27.875 13.582 1.00 24.83 C ATOM 936 C ASN C 111 -28.252 28.694 13.239 1.00 27.08 C ATOM 937 O ASN C 111 -27.210 28.538 13.878 1.00 32.08 O ATOM 938 CB ASN C 111 -30.103 28.455 14.872 1.00 30.34 C ATOM 939 CG ASN C 111 -31.496 28.978 14.677 1.00 38.19 C ATOM 940 OD1 ASN C 111 -31.746 29.776 13.778 1.00 66.14 O ATOM 941 ND2 ASN C 111 -32.410 28.558 15.532 1.00 47.84 N ATOM 942 HD22 ASN C 111 -32.152 27.881 16.278 1.00 0.00 H ATOM 943 HD21 ASN C 111 -33.388 28.904 15.460 1.00 0.00 H ATOM 944 H ASN C 111 -29.601 26.003 14.646 1.00 0.00 H ATOM 945 N GLN C 112 -28.409 29.566 12.231 1.00 33.89 N ATOM 946 CA GLN C 112 -27.521 30.712 11.876 1.00 39.34 C ATOM 947 C GLN C 112 -26.890 30.572 10.505 1.00 47.63 C ATOM 948 O GLN C 112 -27.593 30.607 9.490 1.00 64.10 O ATOM 949 CB GLN C 112 -26.474 31.048 12.949 1.00 41.42 C ATOM 950 CG GLN C 112 -27.018 31.938 14.055 1.00 52.35 C ATOM 951 CD GLN C 112 -26.713 31.404 15.446 1.00 54.54 C ATOM 952 OE1 GLN C 112 -25.732 30.683 15.661 1.00 70.65 O ATOM 953 NE2 GLN C 112 -27.558 31.743 16.387 1.00 87.54 N ATOM 954 HE22 GLN C 112 -28.370 32.352 16.162 1.00 0.00 H ATOM 955 HE21 GLN C 112 -27.417 31.403 17.360 1.00 0.00 H ATOM 956 H GLN C 112 -29.245 29.427 11.628 1.00 0.00 H TER 957 GLN C 112 HETATM 958 O HOH 1 -30.503 29.503 10.402 1.00 43.29 O HETATM 959 O HOH 2 -25.100 31.075 8.436 1.00 44.11 O HETATM 960 O HOH 3 -32.698 34.761 5.718 1.00 21.16 O HETATM 961 O HOH 4 -24.068 32.565 6.314 1.00 35.95 O HETATM 962 O HOH 5 -21.154 27.080 -1.140 1.00 40.03 O HETATM 963 O HOH 6 -19.514 22.302 1.345 1.00 31.02 O HETATM 964 O HOH 7 -26.526 22.443 3.324 1.00 35.61 O HETATM 965 O HOH 8 -25.795 28.578 8.653 1.00 37.66 O HETATM 966 O HOH 9 -16.468 27.846 7.001 1.00 32.04 O HETATM 967 O HOH 10 -27.582 25.181 2.475 1.00 48.11 O HETATM 968 O HOH 11 -27.482 26.775 9.058 1.00 22.65 O HETATM 969 O HOH 12 -26.127 15.982 16.028 1.00 29.45 O HETATM 970 O HOH 13 -27.601 17.946 17.289 1.00 44.60 O HETATM 971 O HOH 14 -31.207 22.034 14.949 1.00 33.77 O HETATM 972 O HOH 15 -21.747 17.679 17.330 1.00 29.99 O HETATM 973 O HOH 16 -23.038 14.329 18.253 1.00 33.57 O HETATM 974 O HOH 17 -23.796 8.561 14.961 1.00 25.26 O HETATM 975 O HOH 18 -18.880 11.454 19.405 1.00 35.69 O HETATM 976 O HOH 19 -22.560 10.114 12.571 1.00 22.84 O HETATM 977 O HOH 20 -12.075 10.797 18.283 1.00 26.19 O HETATM 978 O HOH 21 -9.613 16.421 18.690 1.00 25.69 O HETATM 979 O HOH 22 -15.978 20.047 21.972 1.00 38.82 O HETATM 980 O HOH 23 -7.806 9.234 12.633 1.00 31.54 O HETATM 981 O HOH 24 -6.560 21.687 16.400 1.00 42.34 O HETATM 982 O HOH 25 -12.325 22.678 15.926 1.00 27.88 O HETATM 983 O HOH 26 -12.230 20.559 23.014 1.00 36.13 O HETATM 984 O HOH 27 -10.143 19.655 23.269 1.00 18.68 O HETATM 985 O HOH 28 -13.581 15.999 -10.359 1.00 51.69 O HETATM 986 O HOH 29 -26.231 20.373 5.436 1.00 40.39 O HETATM 987 O HOH 30 -12.633 24.017 11.534 1.00 32.76 O HETATM 988 O HOH 31 -8.909 6.595 12.907 1.00 44.80 O HETATM 989 O HOH 32 -0.218 8.960 7.261 1.00 31.99 O HETATM 990 O HOH 33 -5.775 10.454 11.054 1.00 39.76 O HETATM 991 O HOH 34 -4.918 3.762 7.559 1.00 41.14 O HETATM 992 O HOH 35 -4.719 2.437 3.411 1.00 40.56 O HETATM 993 O HOH 36 -2.707 1.812 -6.590 1.00 30.50 O HETATM 994 O HOH 37 -0.812 8.670 -8.956 1.00 36.40 O HETATM 995 O HOH 38 -4.861 10.121 -9.771 1.00 20.98 O HETATM 996 O HOH 39 -7.302 9.586 -11.182 1.00 31.20 O HETATM 997 O HOH 40 -10.663 0.741 5.853 1.00 18.19 O HETATM 998 O HOH 41 -17.356 -2.764 3.881 1.00 29.17 O HETATM 999 O HOH 42 -17.562 -0.249 5.301 1.00 24.63 O HETATM 1000 O HOH 43 -25.140 7.019 3.397 1.00 46.90 O HETATM 1001 O HOH 44 -17.923 0.021 -3.469 1.00 33.57 O HETATM 1002 O HOH 45 -19.905 3.793 -3.584 1.00 41.64 O HETATM 1003 O HOH 46 -18.863 6.113 -5.761 1.00 25.61 O HETATM 1004 O HOH 47 -15.968 7.927 -10.762 1.00 42.13 O HETATM 1005 O HOH 48 -14.145 15.763 -7.566 1.00 22.97 O HETATM 1006 O HOH 49 -17.280 15.153 -10.673 1.00 51.91 O HETATM 1007 O HOH 50 -23.064 11.473 -7.463 1.00 28.17 O HETATM 1008 O HOH 51 -22.673 14.385 -8.652 1.00 43.26 O HETATM 1009 O HOH 52 -29.180 12.361 2.847 1.00 32.90 O HETATM 1010 O HOH 53 -24.933 19.690 -3.292 1.00 50.44 O HETATM 1011 O HOH 54 -30.627 25.120 15.960 1.00 35.81 O HETATM 1012 O HOH 55 -2.122 11.336 -8.874 1.00 41.24 O HETATM 1013 O HOH 56 -3.377 17.673 -8.389 1.00 32.91 O HETATM 1014 C ACE A 57 -2.595 13.223 -11.470 1.00 0.18 C HETATM 1015 O ACE A 57 -1.753 13.897 -10.861 1.00 -0.40 O HETATM 1016 CH3 ACE A 57 -2.165 12.135 -12.450 1.00 0.03 C HETATM 1017 H1 ACE A 57 -3.057 11.657 -12.882 1.00 0.05 H HETATM 1018 H2 ACE A 57 -1.565 11.380 -11.920 1.00 0.05 H HETATM 1019 H3 ACE A 57 -1.563 12.583 -13.254 1.00 0.05 H HETATM 1020 N ACE A 57 -3.909 13.386 -11.319 1.00 -0.26 N HETATM 1021 CA ACE A 57 -4.469 14.365 -10.383 1.00 0.16 C HETATM 1022 C ACE A 57 -4.422 13.854 -8.946 1.00 0.21 C HETATM 1023 O ACE A 57 -4.704 12.661 -8.691 1.00 -0.39 O HETATM 1024 N ACE A 57 -4.056 14.742 -8.015 1.00 -0.26 N HETATM 1025 CA ACE A 57 -3.988 14.381 -6.585 1.00 0.15 C HETATM 1026 C ACE A 57 -5.388 14.188 -5.979 1.00 0.21 C HETATM 1027 O ACE A 57 -6.381 14.794 -6.424 1.00 -0.39 O HETATM 1028 N ACE A 57 -5.469 13.320 -4.973 1.00 -0.26 N HETATM 1029 CA ACE A 57 -6.705 13.194 -4.219 1.00 0.14 C HETATM 1030 C ACE A 57 -7.119 14.586 -3.673 1.00 0.20 C HETATM 1031 O ACE A 57 -8.276 15.016 -3.740 1.00 -0.39 O HETATM 1032 NAC ACE A 57 -6.022 15.424 -3.159 1.00 -0.27 N HETATM 1033 CAQ ACE A 57 -6.277 16.752 -2.539 1.00 0.13 C HETATM 1034 CAG ACE A 57 -7.011 17.599 -3.547 1.00 0.23 C HETATM 1035 OAE ACE A 57 -8.083 18.174 -3.339 1.00 -0.34 O HETATM 1036 N ACE A 57 -6.622 17.553 -5.001 1.00 -0.26 N HETATM 1037 CA ACE A 57 -7.279 18.385 -6.003 1.00 0.13 C HETATM 1038 C ACE A 57 -8.689 17.880 -6.303 1.00 0.20 C HETATM 1039 O ACE A 57 -9.593 18.701 -6.478 1.00 -0.39 O HETATM 1040 N ACE A 57 -8.888 16.544 -6.336 1.00 -0.26 N HETATM 1041 CA ACE A 57 -10.234 15.997 -6.536 1.00 0.14 C HETATM 1042 C ACE A 57 -11.194 16.426 -5.426 1.00 0.21 C HETATM 1043 O ACE A 57 -12.329 16.811 -5.705 1.00 -0.39 O HETATM 1044 N ACE A 57 -10.748 16.338 -4.173 1.00 -0.26 N HETATM 1045 CA ACE A 57 -11.649 16.593 -3.037 1.00 0.13 C HETATM 1046 C ACE A 57 -11.965 18.084 -2.935 1.00 0.20 C HETATM 1047 O ACE A 57 -13.050 18.501 -2.525 1.00 -0.39 O HETATM 1048 NAC ACE A 57 -10.827 19.009 -3.261 1.00 -0.27 N HETATM 1049 CAQ ACE A 57 -10.952 20.486 -3.190 1.00 0.13 C HETATM 1050 CAG ACE A 57 -12.194 20.903 -3.932 1.00 0.23 C HETATM 1051 OAE ACE A 57 -12.943 21.832 -3.609 1.00 -0.34 O HETATM 1052 N ACE A 57 -12.717 20.043 -5.305 1.00 -0.26 N HETATM 1053 CA ACE A 57 -13.926 20.352 -6.118 1.00 0.13 C HETATM 1054 C ACE A 57 -15.255 20.138 -5.376 1.00 0.20 C HETATM 1055 O ACE A 57 -16.285 20.624 -5.825 1.00 -0.39 O HETATM 1056 N ACE A 57 -15.240 19.435 -4.247 1.00 -0.26 N HETATM 1057 CA ACE A 57 -16.468 19.337 -3.431 1.00 0.13 C HETATM 1058 C ACE A 57 -16.869 20.691 -2.785 1.00 0.21 C HETATM 1059 O ACE A 57 -17.923 21.234 -3.131 1.00 -0.39 O HETATM 1060 N ACE A 57 -16.048 21.237 -1.851 1.00 -0.26 N HETATM 1061 CA ACE A 57 -16.309 22.634 -1.494 1.00 0.10 C HETATM 1062 C ACE A 57 -15.501 23.571 -2.395 1.00 0.06 C HETATM 1063 O ACE A 57 -16.066 24.313 -3.205 1.00 -0.57 O HETATM 1064 OXT ACE A 57 -14.268 23.604 -2.330 1.00 -0.57 O HETATM 1065 CB ACE A 57 -15.796 22.717 -0.054 1.00 -0.02 C HETATM 1066 CG ACE A 57 -14.639 21.769 -0.032 1.00 -0.03 C HETATM 1067 CD ACE A 57 -15.004 20.649 -0.981 1.00 0.04 C HETATM 1068 H99 ACE A 57 -14.131 20.340 -1.574 1.00 0.05 H HETATM 1069 H100 ACE A 57 -15.398 19.783 -0.429 1.00 0.05 H HETATM 1070 H97 ACE A 57 -14.486 21.375 0.984 1.00 0.03 H HETATM 1071 H98 ACE A 57 -13.723 22.275 -0.371 1.00 0.03 H HETATM 1072 H95 ACE A 57 -16.574 22.403 0.658 1.00 0.03 H HETATM 1073 H96 ACE A 57 -15.470 23.739 0.187 1.00 0.03 H HETATM 1074 H94 ACE A 57 -17.380 22.876 -1.558 1.00 0.07 H HETATM 1075 CB ACE A 57 -16.398 18.194 -2.410 1.00 -0.01 C HETATM 1076 CG ACE A 57 -16.420 16.752 -2.920 1.00 -0.04 C HETATM 1077 CD1 ACE A 57 -16.254 15.824 -1.732 1.00 -0.06 C HETATM 1078 H88 ACE A 57 -16.267 14.780 -2.078 1.00 0.02 H HETATM 1079 H89 ACE A 57 -17.079 15.986 -1.022 1.00 0.02 H HETATM 1080 H90 ACE A 57 -15.296 16.033 -1.234 1.00 0.02 H HETATM 1081 CD2 ACE A 57 -17.715 16.419 -3.623 1.00 -0.06 C HETATM 1082 H91 ACE A 57 -17.845 17.087 -4.487 1.00 0.02 H HETATM 1083 H92 ACE A 57 -18.555 16.553 -2.926 1.00 0.02 H HETATM 1084 H93 ACE A 57 -17.687 15.375 -3.968 1.00 0.02 H HETATM 1085 H87 ACE A 57 -15.586 16.607 -3.622 1.00 0.03 H HETATM 1086 H85 ACE A 57 -17.257 18.311 -1.733 1.00 0.03 H HETATM 1087 H86 ACE A 57 -15.464 18.323 -1.843 1.00 0.03 H HETATM 1088 H84 ACE A 57 -17.279 19.078 -4.127 1.00 0.08 H HETATM 1089 H83 ACE A 57 -14.402 18.975 -3.952 1.00 0.19 H HETATM 1090 CB ACE A 57 -13.885 19.578 -7.426 1.00 -0.01 C HETATM 1091 CG ACE A 57 -12.593 19.810 -8.207 1.00 -0.04 C HETATM 1092 CD1 ACE A 57 -12.526 18.874 -9.404 1.00 -0.06 C HETATM 1093 H77 ACE A 57 -11.592 19.052 -9.957 1.00 0.02 H HETATM 1094 H78 ACE A 57 -13.385 19.062 -10.065 1.00 0.02 H HETATM 1095 H79 ACE A 57 -12.553 17.831 -9.056 1.00 0.02 H HETATM 1096 CD2 ACE A 57 -12.447 21.268 -8.630 1.00 -0.06 C HETATM 1097 H80 ACE A 57 -12.500 21.915 -7.742 1.00 0.02 H HETATM 1098 H81 ACE A 57 -13.259 21.532 -9.324 1.00 0.02 H HETATM 1099 H82 ACE A 57 -11.477 21.410 -9.129 1.00 0.02 H HETATM 1100 H76 ACE A 57 -11.750 19.570 -7.543 1.00 0.03 H HETATM 1101 H74 ACE A 57 -14.735 19.894 -8.049 1.00 0.03 H HETATM 1102 H75 ACE A 57 -13.973 18.505 -7.203 1.00 0.03 H HETATM 1103 H73 ACE A 57 -13.876 21.422 -6.369 1.00 0.08 H HETATM 1104 H72 ACE A 57 -12.163 19.261 -5.591 1.00 0.19 H HETATM 1105 CAA ACE A 57 -9.747 21.067 -3.924 1.00 -0.03 C HETATM 1106 H61 ACE A 57 -8.824 20.776 -3.401 1.00 0.02 H HETATM 1107 H62 ACE A 57 -9.825 22.164 -3.947 1.00 0.02 H HETATM 1108 H63 ACE A 57 -9.723 20.680 -4.953 1.00 0.02 H HETATM 1109 CAO ACE A 57 -11.062 20.967 -1.740 1.00 -0.02 C HETATM 1110 CAM ACE A 57 -9.825 20.649 -0.915 1.00 -0.04 C HETATM 1111 CAK ACE A 57 -10.295 20.117 0.419 1.00 -0.04 C HETATM 1112 CAI ACE A 57 -9.195 19.910 1.429 1.00 -0.10 C HETATM 1113 CAI ACE A 57 -8.399 18.851 1.517 1.00 -0.10 C HETATM 1114 CAK ACE A 57 -8.394 17.681 0.565 1.00 -0.04 C HETATM 1115 CAM ACE A 57 -7.241 17.876 -0.424 1.00 -0.04 C HETATM 1116 CAO ACE A 57 -7.172 16.625 -1.304 1.00 -0.02 C HETATM 1117 H29 ACE A 57 -6.790 15.796 -0.690 1.00 0.03 H HETATM 1118 H30 ACE A 57 -8.191 16.390 -1.644 1.00 0.03 H HETATM 1119 H31 ACE A 57 -7.427 18.763 -1.047 1.00 0.03 H HETATM 1120 H32 ACE A 57 -6.295 18.003 0.123 1.00 0.03 H HETATM 1121 H33 ACE A 57 -8.250 16.745 1.125 1.00 0.04 H HETATM 1122 H34 ACE A 57 -9.349 17.639 0.021 1.00 0.04 H HETATM 1123 H35 ACE A 57 -7.692 18.825 2.345 1.00 0.04 H HETATM 1124 H71 ACE A 57 -9.038 20.705 2.156 1.00 0.04 H HETATM 1125 H69 ACE A 57 -10.792 19.151 0.248 1.00 0.04 H HETATM 1126 H70 ACE A 57 -11.018 20.832 0.839 1.00 0.04 H HETATM 1127 H67 ACE A 57 -9.228 21.561 -0.767 1.00 0.03 H HETATM 1128 H68 ACE A 57 -9.216 19.891 -1.428 1.00 0.03 H HETATM 1129 H65 ACE A 57 -11.930 20.479 -1.273 1.00 0.03 H HETATM 1130 H66 ACE A 57 -11.212 22.057 -1.742 1.00 0.03 H HETATM 1131 H64 ACE A 57 -9.951 18.614 -3.537 1.00 0.18 H HETATM 1132 CB ACE A 57 -11.031 16.073 -1.738 1.00 0.00 C HETATM 1133 CG ACE A 57 -12.004 15.989 -0.594 1.00 -0.04 C HETATM 1134 CD1 ACE A 57 -12.172 16.907 0.426 1.00 0.02 C HETATM 1135 NE1 ACE A 57 -13.156 16.467 1.298 1.00 -0.29 N HETATM 1136 CE2 ACE A 57 -13.624 15.255 0.857 1.00 0.06 C HETATM 1137 CD2 ACE A 57 -12.923 14.929 -0.334 1.00 -0.02 C HETATM 1138 CE3 ACE A 57 -13.210 13.714 -0.977 1.00 -0.07 C HETATM 1139 CZ3 ACE A 57 -14.203 12.868 -0.428 1.00 -0.08 C HETATM 1140 CH2 ACE A 57 -14.887 13.228 0.755 1.00 -0.08 C HETATM 1141 CZ2 ACE A 57 -14.614 14.409 1.407 1.00 -0.04 C HETATM 1142 H58 ACE A 57 -15.142 14.682 2.314 1.00 0.05 H HETATM 1143 H60 ACE A 57 -15.641 12.561 1.157 1.00 0.05 H HETATM 1144 H59 ACE A 57 -14.442 11.933 -0.921 1.00 0.05 H HETATM 1145 H57 ACE A 57 -12.680 13.429 -1.879 1.00 0.05 H HETATM 1146 H56 ACE A 57 -13.482 16.967 2.138 1.00 0.22 H HETATM 1147 H55 ACE A 57 -11.615 17.837 0.529 1.00 0.08 H HETATM 1148 H53 ACE A 57 -10.213 16.749 -1.448 1.00 0.04 H HETATM 1149 H54 ACE A 57 -10.627 15.067 -1.924 1.00 0.04 H HETATM 1150 H52 ACE A 57 -12.590 16.052 -3.212 1.00 0.08 H HETATM 1151 H51 ACE A 57 -9.793 16.096 -4.003 1.00 0.19 H HETATM 1152 CB ACE A 57 -10.234 14.456 -6.602 1.00 0.02 C HETATM 1153 CG ACE A 57 -9.777 13.876 -7.922 1.00 -0.05 C HETATM 1154 CD1 ACE A 57 -10.469 14.147 -9.114 1.00 -0.07 C HETATM 1155 CE1 ACE A 57 -10.051 13.592 -10.325 1.00 -0.04 C HETATM 1156 CZ ACE A 57 -8.945 12.760 -10.343 1.00 0.08 C HETATM 1157 CE2 ACE A 57 -8.246 12.466 -9.180 1.00 -0.04 C HETATM 1158 CD2 ACE A 57 -8.670 13.022 -7.971 1.00 -0.07 C HETATM 1159 H47 ACE A 57 -8.134 12.789 -7.058 1.00 0.05 H HETATM 1160 H49 ACE A 57 -7.381 11.813 -9.210 1.00 0.05 H HETATM 1161 OH ACE A 57 -8.520 12.197 -11.521 1.00 -0.34 O HETATM 1162 H50 ACE A 57 -8.554 11.250 -11.449 1.00 0.25 H HETATM 1163 H48 ACE A 57 -10.587 13.810 -11.242 1.00 0.05 H HETATM 1164 H46 ACE A 57 -11.338 14.795 -9.093 1.00 0.05 H HETATM 1165 H44 ACE A 57 -11.259 14.106 -6.411 1.00 0.05 H HETATM 1166 H45 ACE A 57 -9.565 14.080 -5.814 1.00 0.05 H HETATM 1167 H43 ACE A 57 -10.613 16.385 -7.493 1.00 0.08 H HETATM 1168 H42 ACE A 57 -8.112 15.924 -6.223 1.00 0.19 H HETATM 1169 CB ACE A 57 -6.433 18.446 -7.255 1.00 -0.00 C HETATM 1170 CG ACE A 57 -6.900 19.566 -8.140 1.00 0.00 C HETATM 1171 CD ACE A 57 -6.077 19.714 -9.400 1.00 0.04 C HETATM 1172 OE1 ACE A 57 -4.907 19.258 -9.447 1.00 -0.57 O HETATM 1173 OE2 ACE A 57 -6.623 20.311 -10.342 1.00 -0.57 O HETATM 1174 H40 ACE A 57 -6.843 20.507 -7.573 1.00 0.04 H HETATM 1175 H41 ACE A 57 -7.945 19.373 -8.426 1.00 0.04 H HETATM 1176 H38 ACE A 57 -6.518 17.493 -7.798 1.00 0.03 H HETATM 1177 H39 ACE A 57 -5.383 18.616 -6.976 1.00 0.03 H HETATM 1178 H37 ACE A 57 -7.365 19.404 -5.599 1.00 0.08 H HETATM 1179 H36 ACE A 57 -5.891 16.933 -5.288 1.00 0.19 H HETATM 1180 CAA ACE A 57 -4.906 17.334 -2.234 1.00 -0.03 C HETATM 1181 H25 ACE A 57 -4.393 16.698 -1.498 1.00 0.02 H HETATM 1182 H26 ACE A 57 -5.021 18.349 -1.825 1.00 0.02 H HETATM 1183 H27 ACE A 57 -4.312 17.376 -3.159 1.00 0.02 H HETATM 1184 H28 ACE A 57 -5.081 15.092 -3.229 1.00 0.18 H HETATM 1185 CB ACE A 57 -6.540 12.236 -3.022 1.00 0.02 C HETATM 1186 CG ACE A 57 -7.666 12.374 -2.029 1.00 -0.04 C HETATM 1187 CD1 ACE A 57 -8.915 11.790 -2.290 1.00 -0.06 C HETATM 1188 CE1 ACE A 57 -9.977 11.977 -1.423 1.00 -0.07 C HETATM 1189 CZ ACE A 57 -9.798 12.742 -0.257 1.00 -0.07 C HETATM 1190 CE2 ACE A 57 -8.571 13.322 0.018 1.00 -0.07 C HETATM 1191 CD2 ACE A 57 -7.502 13.144 -0.849 1.00 -0.06 C HETATM 1192 H21 ACE A 57 -6.542 13.594 -0.624 1.00 0.06 H HETATM 1193 H23 ACE A 57 -8.445 13.918 0.915 1.00 0.06 H HETATM 1194 H24 ACE A 57 -10.625 12.879 0.430 1.00 0.06 H HETATM 1195 H22 ACE A 57 -10.943 11.536 -1.642 1.00 0.06 H HETATM 1196 H20 ACE A 57 -9.049 11.186 -3.180 1.00 0.06 H HETATM 1197 H18 ACE A 57 -5.590 12.461 -2.515 1.00 0.05 H HETATM 1198 H19 ACE A 57 -6.520 11.201 -3.395 1.00 0.05 H HETATM 1199 H17 ACE A 57 -7.492 12.809 -4.884 1.00 0.08 H HETATM 1200 H16 ACE A 57 -4.679 12.754 -4.736 1.00 0.19 H HETATM 1201 CB ACE A 57 -3.239 15.436 -5.779 1.00 0.08 C HETATM 1202 OG ACE A 57 -3.919 16.700 -5.828 1.00 -0.39 O HETATM 1203 H15 ACE A 57 -3.979 16.991 -6.730 1.00 0.21 H HETATM 1204 H13 ACE A 57 -2.228 15.555 -6.195 1.00 0.06 H HETATM 1205 H14 ACE A 57 -3.168 15.106 -4.732 1.00 0.06 H HETATM 1206 H12 ACE A 57 -3.442 13.430 -6.503 1.00 0.08 H HETATM 1207 H11 ACE A 57 -3.823 15.673 -8.294 1.00 0.19 H HETATM 1208 CB ACE A 57 -5.909 14.726 -10.783 1.00 0.09 C HETATM 1209 OG1 ACE A 57 -5.911 15.155 -12.148 1.00 -0.39 O HETATM 1210 H7 ACE A 57 -6.797 15.381 -12.406 1.00 0.21 H HETATM 1211 CG2 ACE A 57 -6.464 15.850 -9.921 1.00 -0.03 C HETATM 1212 H8 ACE A 57 -7.493 16.080 -10.236 1.00 0.03 H HETATM 1213 H9 ACE A 57 -5.836 16.746 -10.038 1.00 0.03 H HETATM 1214 H10 ACE A 57 -6.465 15.537 -8.866 1.00 0.03 H HETATM 1215 H6 ACE A 57 -6.548 13.837 -10.672 1.00 0.06 H HETATM 1216 H5 ACE A 57 -3.858 15.278 -10.439 1.00 0.08 H HETATM 1217 H4 ACE A 57 -4.532 12.823 -11.861 1.00 0.19 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1014 1015 1016 1020 CONECT 1015 1014 CONECT 1016 1014 1017 1018 1019 CONECT 1017 1016 CONECT 1018 1016 CONECT 1019 1016 CONECT 1020 1014 1021 1217 CONECT 1021 1020 1022 1208 1216 CONECT 1022 1021 1023 1024 CONECT 1023 1022 CONECT 1024 1022 1025 1207 CONECT 1025 1024 1026 1201 1206 CONECT 1026 1025 1027 1028 CONECT 1027 1026 CONECT 1028 1026 1029 1200 CONECT 1029 1028 1030 1185 1199 CONECT 1030 1029 1031 1032 CONECT 1031 1030 CONECT 1032 1030 1033 1184 CONECT 1033 1032 1034 1116 1180 CONECT 1034 1033 1035 1036 CONECT 1035 1034 CONECT 1036 1034 1037 1179 CONECT 1037 1036 1038 1169 1178 CONECT 1038 1037 1039 1040 CONECT 1039 1038 CONECT 1040 1038 1041 1168 CONECT 1041 1040 1042 1152 1167 CONECT 1042 1041 1043 1044 CONECT 1043 1042 CONECT 1044 1042 1045 1151 CONECT 1045 1044 1046 1132 1150 CONECT 1046 1045 1047 1048 CONECT 1047 1046 CONECT 1048 1046 1049 1131 CONECT 1049 1048 1050 1105 1109 CONECT 1050 1049 1051 1052 CONECT 1051 1050 CONECT 1052 1050 1053 1104 CONECT 1053 1052 1054 1090 1103 CONECT 1054 1053 1055 1056 CONECT 1055 1054 CONECT 1056 1054 1057 1089 CONECT 1057 1056 1058 1075 1088 CONECT 1058 1057 1059 1060 CONECT 1059 1058 CONECT 1060 1058 1061 1067 CONECT 1061 1060 1062 1065 1074 CONECT 1062 1061 1063 1064 CONECT 1063 1062 CONECT 1064 1062 CONECT 1065 1061 1066 1072 1073 CONECT 1066 1065 1067 1070 1071 CONECT 1067 1060 1066 1068 1069 CONECT 1068 1067 CONECT 1069 1067 CONECT 1070 1066 CONECT 1071 1066 CONECT 1072 1065 CONECT 1073 1065 CONECT 1074 1061 CONECT 1075 1057 1076 1086 1087 CONECT 1076 1075 1077 1081 1085 CONECT 1077 1076 1078 1079 1080 CONECT 1078 1077 CONECT 1079 1077 CONECT 1080 1077 CONECT 1081 1076 1082 1083 1084 CONECT 1082 1081 CONECT 1083 1081 CONECT 1084 1081 CONECT 1085 1076 CONECT 1086 1075 CONECT 1087 1075 CONECT 1088 1057 CONECT 1089 1056 CONECT 1090 1053 1091 1101 1102 CONECT 1091 1090 1092 1096 1100 CONECT 1092 1091 1093 1094 1095 CONECT 1093 1092 CONECT 1094 1092 CONECT 1095 1092 CONECT 1096 1091 1097 1098 1099 CONECT 1097 1096 CONECT 1098 1096 CONECT 1099 1096 CONECT 1100 1091 CONECT 1101 1090 CONECT 1102 1090 CONECT 1103 1053 CONECT 1104 1052 CONECT 1105 1049 1106 1107 1108 CONECT 1106 1105 CONECT 1107 1105 CONECT 1108 1105 CONECT 1109 1049 1110 1129 1130 CONECT 1110 1109 1111 1127 1128 CONECT 1111 1110 1112 1125 1126 CONECT 1112 1111 1113 1124 CONECT 1113 1112 1114 1123 CONECT 1114 1113 1115 1121 1122 CONECT 1115 1114 1116 1119 1120 CONECT 1116 1033 1115 1117 1118 CONECT 1117 1116 CONECT 1118 1116 CONECT 1119 1115 CONECT 1120 1115 CONECT 1121 1114 CONECT 1122 1114 CONECT 1123 1113 CONECT 1124 1112 CONECT 1125 1111 CONECT 1126 1111 CONECT 1127 1110 CONECT 1128 1110 CONECT 1129 1109 CONECT 1130 1109 CONECT 1131 1048 CONECT 1132 1045 1133 1148 1149 CONECT 1133 1132 1134 1137 CONECT 1134 1133 1135 1147 CONECT 1135 1134 1136 1146 CONECT 1136 1135 1137 1141 CONECT 1137 1133 1136 1138 CONECT 1138 1137 1139 1145 CONECT 1139 1138 1140 1144 CONECT 1140 1139 1141 1143 CONECT 1141 1136 1140 1142 CONECT 1142 1141 CONECT 1143 1140 CONECT 1144 1139 CONECT 1145 1138 CONECT 1146 1135 CONECT 1147 1134 CONECT 1148 1132 CONECT 1149 1132 CONECT 1150 1045 CONECT 1151 1044 CONECT 1152 1041 1153 1165 1166 CONECT 1153 1152 1154 1158 CONECT 1154 1153 1155 1164 CONECT 1155 1154 1156 1163 CONECT 1156 1155 1157 1161 CONECT 1157 1156 1158 1160 CONECT 1158 1153 1157 1159 CONECT 1159 1158 CONECT 1160 1157 CONECT 1161 1156 1162 CONECT 1162 1161 CONECT 1163 1155 CONECT 1164 1154 CONECT 1165 1152 CONECT 1166 1152 CONECT 1167 1041 CONECT 1168 1040 CONECT 1169 1037 1170 1176 1177 CONECT 1170 1169 1171 1174 1175 CONECT 1171 1170 1172 1173 CONECT 1172 1171 CONECT 1173 1171 CONECT 1174 1170 CONECT 1175 1170 CONECT 1176 1169 CONECT 1177 1169 CONECT 1178 1037 CONECT 1179 1036 CONECT 1180 1033 1181 1182 1183 CONECT 1181 1180 CONECT 1182 1180 CONECT 1183 1180 CONECT 1184 1032 CONECT 1185 1029 1186 1197 1198 CONECT 1186 1185 1187 1191 CONECT 1187 1186 1188 1196 CONECT 1188 1187 1189 1195 CONECT 1189 1188 1190 1194 CONECT 1190 1189 1191 1193 CONECT 1191 1186 1190 1192 CONECT 1192 1191 CONECT 1193 1190 CONECT 1194 1189 CONECT 1195 1188 CONECT 1196 1187 CONECT 1197 1185 CONECT 1198 1185 CONECT 1199 1029 CONECT 1200 1028 CONECT 1201 1025 1202 1204 1205 CONECT 1202 1201 1203 CONECT 1203 1202 CONECT 1204 1201 CONECT 1205 1201 CONECT 1206 1025 CONECT 1207 1024 CONECT 1208 1021 1209 1211 1215 CONECT 1209 1208 1210 CONECT 1210 1209 CONECT 1211 1208 1212 1213 1214 CONECT 1212 1211 CONECT 1213 1211 CONECT 1214 1211 CONECT 1215 1208 CONECT 1216 1021 CONECT 1217 1020 MASTER 0 0 0 0 0 0 0 0 1216 1 208 8 END
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Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
4ue1
RCSB PDB
PDBbind
16aa, >4UE1_2|Chains... at 93%
Complexes with the same small molecule ligand
PDB Code
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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
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
4ud7
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase Mdm2
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=7.4nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J Phys Chem Lett Vol. 7: pp. 3452-3457
Ligand Properties
Formula
C
7
4
H
1
0
2
N
1
2
O
1
8
Molecular Weight
1447.670
Exact Mass
1446.740
No. of atoms
206
No. of bonds
211
Polar Surface Area
462.39
LOGP Value
6.86 (
Computed with XLOGP3
)
5.46 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 36
No. of Nitrogen and Oxygen Atoms: 30
No. of Rings: 6
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@]1(C)CCC/C=C\CCC[C@@](C)(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)O)Cc1ccc(cc1)O)Cc1c[nH]c2c1cccc2)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)CC(C)C)CC(C)C)Cc1ccccc1)NC(=O)[C@H]([C@H](O)C)NC(=O)C
InChI String
InChI=1S/C74H102N12O18/c1-42(2)35-53(63(94)80-57(36-43(3)4)69(100)86-34-20-25-59(86)70(101)102)83-72(104)74(8)33-19-12-10-9-11-18-32-73(7,84-66(97)55(37-46-21-14-13-15-22-46)78-65(96)58(41-87)81-68(99)61(44(5)88)76-45(6)89)71(103)82-52(30-31-60(91)92)62(93)77-54(38-47-26-28-49(90)29-27-47)64(95)79-56(67(98)85-74)39-48-40-75-51-24-17-16-23-50(48)51/h9-10,13-17,21-24,26-29,40,42-44,52-59,61,75,87-88,90H,11-12,18-20,25,30-39,41H2,1-8H3,(H,76,89)(H,77,93)(H,78,96)(H,79,95)(H,80,94)(H,81,99)(H,82,103)(H,83,104)(H,84,97)(H,85,98)(H,91,92)(H,101,102)/b10-9-/t44-,52+,53+,54+,55+,56+,57+,58+,59+,61+,73-,74-/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):
Q00987
Entrez Gene ID
NCBI Entrez Gene ID:
4193
ASD
Information of known allosteric effects of PDB entries
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