Browse entries in the PDBbind-CN Database
HEADER 5AZF_COMPLEX COMPND 5AZF_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 119 GLY PRO HIS MET LYS TRP ALA TYR LYS GLU GLU ASN ASN SEQRES 2 A 119 PHE GLU LYS ARG ARG ALA GLU GLY ASP LYS ILE ARG ARG SEQRES 3 A 119 LYS TYR PRO ASP ARG ILE PRO VAL ILE VAL GLU LYS ALA SEQRES 4 A 119 PRO LYS SER LYS LEU HIS ASP LEU ASP LYS LYS LYS TYR SEQRES 5 A 119 LEU VAL PRO SER ASP LEU THR VAL GLY GLN PHE TYR PHE SEQRES 6 A 119 LEU ILE ARG LYS ARG ILE GLN LEU ARG PRO GLU ASP ALA SEQRES 7 A 119 LEU PHE PHE PHE VAL ASN ASN VAL ILE PRO GLN THR MET SEQRES 8 A 119 THR THR MET GLY GLN LEU TYR GLN ASP HIS HIS GLU GLU SEQRES 9 A 119 ASP LEU PHE LEU TYR ILE ALA TYR SER ASP GLU SER VAL SEQRES 10 A 119 TYR GLY HET CD A 1 1 HET CD A 2 1 HET CD A 3 1 HET CD A 4 1 HET CD A 5 1 HET TRP A 332 76 ATOM 1 N GLY A -2 -41.919 3.810 -6.675 1.00 9.72 N ATOM 2 CA GLY A -2 -41.112 4.662 -5.763 1.00 11.52 C ATOM 3 C GLY A -2 -41.966 5.405 -4.755 1.00 12.07 C ATOM 4 O GLY A -2 -43.189 5.446 -4.873 1.00 12.74 O ATOM 5 HN3 GLY A -2 -42.590 4.406 -7.201 1.00 0.00 H ATOM 6 HN2 GLY A -2 -42.442 3.106 -6.117 1.00 0.00 H ATOM 7 HN1 GLY A -2 -41.287 3.325 -7.344 1.00 0.00 H ATOM 8 N PRO A -1 -41.343 6.024 -3.747 1.00 13.62 N ATOM 9 CA PRO A -1 -42.080 6.765 -2.722 1.00 13.73 C ATOM 10 C PRO A -1 -42.735 8.038 -3.244 1.00 15.06 C ATOM 11 O PRO A -1 -42.250 8.658 -4.191 1.00 15.59 O ATOM 12 CB PRO A -1 -41.004 7.064 -1.685 1.00 12.65 C ATOM 13 CG PRO A -1 -39.792 7.272 -2.545 1.00 13.71 C ATOM 14 CD PRO A -1 -39.890 6.121 -3.523 1.00 13.65 C ATOM 15 N HIS A 0 -43.849 8.423 -2.634 1.00 13.68 N ATOM 16 CA HIS A 0 -44.512 9.650 -3.037 1.00 16.50 C ATOM 17 C HIS A 0 -43.775 10.776 -2.333 1.00 16.30 C ATOM 18 O HIS A 0 -43.934 10.984 -1.130 1.00 18.87 O ATOM 19 CB HIS A 0 -45.988 9.614 -2.648 1.00 15.93 C ATOM 20 CG HIS A 0 -46.805 8.726 -3.530 1.00 15.84 C ATOM 21 ND1 HIS A 0 -47.066 9.032 -4.849 1.00 17.06 N ATOM 22 CD2 HIS A 0 -47.356 7.508 -3.311 1.00 15.44 C ATOM 23 CE1 HIS A 0 -47.739 8.040 -5.404 1.00 18.97 C ATOM 24 NE2 HIS A 0 -47.926 7.103 -4.493 1.00 12.71 N ATOM 25 H HIS A 0 -44.247 7.845 -1.867 1.00 0.00 H ATOM 26 N MET A 1 -42.948 11.477 -3.101 1.00 18.15 N ATOM 27 CA MET A 1 -42.128 12.566 -2.590 1.00 19.79 C ATOM 28 C MET A 1 -42.798 13.926 -2.614 1.00 21.38 C ATOM 29 O MET A 1 -43.515 14.270 -3.553 1.00 23.75 O ATOM 30 CB MET A 1 -40.835 12.674 -3.406 1.00 18.79 C ATOM 31 CG MET A 1 -39.958 11.440 -3.396 1.00 15.58 C ATOM 32 SD MET A 1 -39.260 11.111 -1.780 1.00 16.42 S ATOM 33 CE MET A 1 -38.017 12.415 -1.661 1.00 11.35 C ATOM 34 H MET A 1 -42.884 11.237 -4.111 1.00 0.00 H ATOM 35 N LYS A 2 -42.552 14.698 -1.568 1.00 23.41 N ATOM 36 CA LYS A 2 -43.062 16.054 -1.501 1.00 24.34 C ATOM 37 C LYS A 2 -41.774 16.843 -1.245 1.00 23.19 C ATOM 38 O LYS A 2 -41.449 17.238 -0.126 1.00 26.03 O ATOM 39 CB LYS A 2 -44.129 16.175 -0.392 1.00 27.17 C ATOM 40 CG LYS A 2 -43.682 16.567 1.000 1.00 30.44 C ATOM 41 CD LYS A 2 -43.872 18.066 1.207 1.00 33.81 C ATOM 42 CE LYS A 2 -44.118 18.397 2.670 1.00 35.46 C ATOM 43 NZ LYS A 2 -45.392 17.786 3.156 1.00 37.85 N ATOM 44 HZ1 LYS A 2 -46.187 18.152 2.594 1.00 0.00 H ATOM 45 HZ2 LYS A 2 -45.341 16.752 3.053 1.00 0.00 H ATOM 46 HZ3 LYS A 2 -45.532 18.030 4.157 1.00 0.00 H ATOM 47 H LYS A 2 -41.983 14.326 -0.781 1.00 0.00 H ATOM 48 N TRP A 3 -41.020 17.008 -2.331 1.00 19.75 N ATOM 49 CA TRP A 3 -39.730 17.691 -2.334 1.00 17.07 C ATOM 50 C TRP A 3 -39.724 19.070 -1.696 1.00 17.35 C ATOM 51 O TRP A 3 -40.378 19.992 -2.185 1.00 17.31 O ATOM 52 CB TRP A 3 -39.205 17.817 -3.769 1.00 16.05 C ATOM 53 CG TRP A 3 -39.134 16.520 -4.518 1.00 12.99 C ATOM 54 CD1 TRP A 3 -40.122 15.951 -5.268 1.00 16.02 C ATOM 55 CD2 TRP A 3 -38.023 15.618 -4.566 1.00 13.48 C ATOM 56 NE1 TRP A 3 -39.696 14.750 -5.783 1.00 17.06 N ATOM 57 CE2 TRP A 3 -38.410 14.522 -5.368 1.00 13.80 C ATOM 58 CE3 TRP A 3 -36.735 15.631 -4.012 1.00 12.36 C ATOM 59 CZ2 TRP A 3 -37.557 13.444 -5.626 1.00 14.36 C ATOM 60 CZ3 TRP A 3 -35.885 14.555 -4.271 1.00 11.73 C ATOM 61 CH2 TRP A 3 -36.304 13.480 -5.072 1.00 13.32 C ATOM 62 HE1 TRP A 3 -40.258 14.118 -6.388 1.00 0.00 H ATOM 63 H TRP A 3 -41.372 16.627 -3.232 1.00 0.00 H ATOM 64 N ALA A 4 -38.970 19.208 -0.610 1.00 17.70 N ATOM 65 CA ALA A 4 -38.859 20.482 0.086 1.00 18.02 C ATOM 66 C ALA A 4 -38.301 21.538 -0.864 1.00 17.13 C ATOM 67 O ALA A 4 -38.642 22.717 -0.766 1.00 17.55 O ATOM 68 CB ALA A 4 -37.953 20.336 1.300 1.00 17.79 C ATOM 69 H ALA A 4 -38.446 18.385 -0.248 1.00 0.00 H ATOM 70 N TYR A 5 -37.443 21.115 -1.788 1.00 15.74 N ATOM 71 CA TYR A 5 -36.857 22.051 -2.741 1.00 15.31 C ATOM 72 C TYR A 5 -37.930 22.669 -3.637 1.00 16.70 C ATOM 73 O TYR A 5 -37.851 23.850 -3.988 1.00 16.66 O ATOM 74 CB TYR A 5 -35.799 21.351 -3.606 1.00 16.75 C ATOM 75 CG TYR A 5 -35.103 22.290 -4.570 1.00 16.66 C ATOM 76 CD1 TYR A 5 -34.380 23.387 -4.101 1.00 17.05 C ATOM 77 CD2 TYR A 5 -35.203 22.108 -5.949 1.00 16.61 C ATOM 78 CE1 TYR A 5 -33.777 24.284 -4.979 1.00 18.98 C ATOM 79 CE2 TYR A 5 -34.602 23.000 -6.838 1.00 16.99 C ATOM 80 CZ TYR A 5 -33.895 24.086 -6.344 1.00 17.74 C ATOM 81 OH TYR A 5 -33.326 24.987 -7.216 1.00 21.68 O ATOM 82 HH TYR A 5 -32.863 25.695 -6.702 1.00 0.00 H ATOM 83 H TYR A 5 -37.188 20.108 -1.831 1.00 0.00 H ATOM 84 N LYS A 6 -38.929 21.871 -4.005 1.00 14.74 N ATOM 85 CA LYS A 6 -40.011 22.346 -4.866 1.00 16.17 C ATOM 86 C LYS A 6 -41.096 23.078 -4.082 1.00 18.26 C ATOM 87 O LYS A 6 -41.789 23.932 -4.627 1.00 18.04 O ATOM 88 CB LYS A 6 -40.639 21.183 -5.640 1.00 16.47 C ATOM 89 CG LYS A 6 -39.736 20.563 -6.699 1.00 17.63 C ATOM 90 CD LYS A 6 -40.528 19.609 -7.581 1.00 21.17 C ATOM 91 CE LYS A 6 -39.710 19.092 -8.747 1.00 23.77 C ATOM 92 NZ LYS A 6 -40.531 18.205 -9.622 1.00 26.89 N ATOM 93 HZ1 LYS A 6 -40.874 17.394 -9.068 1.00 0.00 H ATOM 94 HZ2 LYS A 6 -41.342 18.740 -9.993 1.00 0.00 H ATOM 95 HZ3 LYS A 6 -39.948 17.864 -10.413 1.00 0.00 H ATOM 96 H LYS A 6 -38.941 20.886 -3.672 1.00 0.00 H ATOM 97 N GLU A 7 -41.253 22.726 -2.810 1.00 18.72 N ATOM 98 CA GLU A 7 -42.241 23.379 -1.957 1.00 20.34 C ATOM 99 C GLU A 7 -41.794 24.817 -1.713 1.00 22.28 C ATOM 100 O GLU A 7 -42.603 25.745 -1.712 1.00 22.41 O ATOM 101 CB GLU A 7 -42.348 22.657 -0.610 1.00 20.56 C ATOM 102 CG GLU A 7 -43.075 21.321 -0.643 1.00 21.07 C ATOM 103 CD GLU A 7 -44.565 21.468 -0.894 1.00 21.59 C ATOM 104 OE1 GLU A 7 -45.217 22.249 -0.168 1.00 21.41 O ATOM 105 OE2 GLU A 7 -45.087 20.797 -1.809 1.00 23.27 O ATOM 106 H GLU A 7 -40.659 21.969 -2.414 1.00 0.00 H ATOM 107 N GLU A 8 -40.492 24.984 -1.516 1.00 22.01 N ATOM 108 CA GLU A 8 -39.890 26.285 -1.251 1.00 22.01 C ATOM 109 C GLU A 8 -39.702 27.169 -2.489 1.00 22.11 C ATOM 110 O GLU A 8 -39.803 28.394 -2.401 1.00 22.59 O ATOM 111 CB GLU A 8 -38.538 26.080 -0.553 1.00 24.26 C ATOM 112 CG GLU A 8 -38.641 25.582 0.890 1.00 28.13 C ATOM 113 CD GLU A 8 -37.357 24.935 1.392 1.00 31.50 C ATOM 114 OE1 GLU A 8 -36.260 25.365 0.974 1.00 32.87 O ATOM 115 OE2 GLU A 8 -37.445 24.000 2.217 1.00 31.65 O ATOM 116 H GLU A 8 -39.873 24.149 -1.552 1.00 0.00 H ATOM 117 N ASN A 9 -39.446 26.557 -3.641 1.00 20.89 N ATOM 118 CA ASN A 9 -39.215 27.321 -4.868 1.00 18.80 C ATOM 119 C ASN A 9 -40.077 26.864 -6.039 1.00 18.71 C ATOM 120 O ASN A 9 -40.092 25.676 -6.362 1.00 16.44 O ATOM 121 CB ASN A 9 -37.744 27.196 -5.271 1.00 20.28 C ATOM 122 CG ASN A 9 -36.802 27.367 -4.100 1.00 20.70 C ATOM 123 OD1 ASN A 9 -36.576 28.480 -3.625 1.00 22.27 O ATOM 124 ND2 ASN A 9 -36.251 26.258 -3.621 1.00 20.98 N ATOM 125 HD22 ASN A 9 -36.471 25.339 -4.055 1.00 0.00 H ATOM 126 HD21 ASN A 9 -35.599 26.309 -2.812 1.00 0.00 H ATOM 127 H ASN A 9 -39.409 25.518 -3.671 1.00 0.00 H ATOM 128 N ASN A 10 -40.774 27.796 -6.692 1.00 17.47 N ATOM 129 CA ASN A 10 -41.600 27.426 -7.839 1.00 18.43 C ATOM 130 C ASN A 10 -40.713 27.088 -9.036 1.00 18.01 C ATOM 131 O ASN A 10 -39.491 27.259 -8.982 1.00 18.68 O ATOM 132 CB ASN A 10 -42.600 28.539 -8.211 1.00 19.79 C ATOM 133 CG ASN A 10 -41.928 29.848 -8.595 1.00 22.02 C ATOM 134 OD1 ASN A 10 -40.924 29.866 -9.304 1.00 22.31 O ATOM 135 ND2 ASN A 10 -42.502 30.960 -8.140 1.00 23.36 N ATOM 136 HD22 ASN A 10 -43.351 30.900 -7.542 1.00 0.00 H ATOM 137 HD21 ASN A 10 -42.101 31.889 -8.382 1.00 0.00 H ATOM 138 H ASN A 10 -40.729 28.788 -6.384 1.00 0.00 H ATOM 139 N PHE A 11 -41.324 26.606 -10.113 1.00 18.95 N ATOM 140 CA PHE A 11 -40.569 26.215 -11.297 1.00 17.64 C ATOM 141 C PHE A 11 -39.683 27.306 -11.881 1.00 19.59 C ATOM 142 O PHE A 11 -38.521 27.059 -12.202 1.00 18.13 O ATOM 143 CB PHE A 11 -41.498 25.709 -12.398 1.00 18.74 C ATOM 144 CG PHE A 11 -40.770 25.304 -13.647 1.00 18.21 C ATOM 145 CD1 PHE A 11 -40.043 24.118 -13.690 1.00 19.98 C ATOM 146 CD2 PHE A 11 -40.763 26.132 -14.763 1.00 19.73 C ATOM 147 CE1 PHE A 11 -39.316 23.766 -14.825 1.00 19.84 C ATOM 148 CE2 PHE A 11 -40.041 25.792 -15.900 1.00 21.40 C ATOM 149 CZ PHE A 11 -39.315 24.606 -15.933 1.00 21.54 C ATOM 150 H PHE A 11 -42.359 26.506 -10.111 1.00 0.00 H ATOM 151 N GLU A 12 -40.225 28.507 -12.039 1.00 19.64 N ATOM 152 CA GLU A 12 -39.433 29.591 -12.609 1.00 21.07 C ATOM 153 C GLU A 12 -38.152 29.850 -11.830 1.00 19.78 C ATOM 154 O GLU A 12 -37.078 30.019 -12.416 1.00 20.64 O ATOM 155 CB GLU A 12 -40.263 30.873 -12.681 1.00 21.78 C ATOM 156 CG GLU A 12 -41.465 30.769 -13.595 1.00 26.74 C ATOM 157 CD GLU A 12 -41.105 30.326 -14.999 1.00 25.50 C ATOM 158 OE1 GLU A 12 -39.906 30.384 -15.366 1.00 36.32 O ATOM 159 OE2 GLU A 12 -42.026 29.924 -15.749 1.00 35.61 O ATOM 160 H GLU A 12 -41.212 28.675 -11.757 1.00 0.00 H ATOM 161 N LYS A 13 -38.264 29.868 -10.507 1.00 20.07 N ATOM 162 CA LYS A 13 -37.112 30.112 -9.642 1.00 18.85 C ATOM 163 C LYS A 13 -36.124 28.951 -9.734 1.00 18.51 C ATOM 164 O LYS A 13 -34.913 29.155 -9.763 1.00 17.87 O ATOM 165 CB LYS A 13 -37.581 30.293 -8.197 1.00 17.25 C ATOM 166 CG LYS A 13 -36.854 31.387 -7.438 1.00 26.52 C ATOM 167 CD LYS A 13 -36.197 30.847 -6.186 1.00 24.77 C ATOM 168 CE LYS A 13 -36.762 31.474 -4.919 1.00 26.47 C ATOM 169 NZ LYS A 13 -37.949 30.749 -4.371 1.00 23.78 N ATOM 170 HZ1 LYS A 13 -38.709 30.744 -5.081 1.00 0.00 H ATOM 171 HZ2 LYS A 13 -37.681 29.771 -4.141 1.00 0.00 H ATOM 172 HZ3 LYS A 13 -38.281 31.230 -3.511 1.00 0.00 H ATOM 173 H LYS A 13 -39.196 29.704 -10.075 1.00 0.00 H ATOM 174 N ARG A 14 -36.647 27.730 -9.784 1.00 16.60 N ATOM 175 CA ARG A 14 -35.793 26.554 -9.881 1.00 16.62 C ATOM 176 C ARG A 14 -35.081 26.472 -11.229 1.00 15.92 C ATOM 177 O ARG A 14 -33.894 26.132 -11.294 1.00 16.03 O ATOM 178 CB ARG A 14 -36.612 25.282 -9.636 1.00 15.13 C ATOM 179 CG ARG A 14 -37.016 25.112 -8.185 1.00 16.02 C ATOM 180 CD ARG A 14 -37.738 23.794 -7.943 1.00 14.12 C ATOM 181 NE ARG A 14 -39.152 23.830 -8.324 1.00 13.05 N ATOM 182 CZ ARG A 14 -39.676 23.188 -9.364 1.00 14.56 C ATOM 183 NH1 ARG A 14 -40.974 23.283 -9.610 1.00 15.71 N ATOM 184 NH2 ARG A 14 -38.910 22.453 -10.159 1.00 15.85 N ATOM 185 HE ARG A 14 -39.794 24.400 -7.737 1.00 0.00 H ATOM 186 HH12 ARG A 14 -41.387 22.782 -10.422 1.00 0.00 H ATOM 187 HH11 ARG A 14 -41.580 23.858 -8.991 1.00 0.00 H ATOM 188 HH22 ARG A 14 -39.329 21.955 -10.970 1.00 0.00 H ATOM 189 HH21 ARG A 14 -37.890 22.375 -9.972 1.00 0.00 H ATOM 190 H ARG A 14 -37.680 27.613 -9.753 1.00 0.00 H ATOM 191 N ARG A 15 -35.796 26.787 -12.305 1.00 14.76 N ATOM 192 CA ARG A 15 -35.200 26.743 -13.635 1.00 15.86 C ATOM 193 C ARG A 15 -34.132 27.829 -13.778 1.00 16.78 C ATOM 194 O ARG A 15 -33.141 27.639 -14.481 1.00 16.87 O ATOM 195 CB ARG A 15 -36.278 26.901 -14.715 1.00 16.61 C ATOM 196 CG ARG A 15 -35.742 26.991 -16.145 1.00 17.82 C ATOM 197 CD ARG A 15 -34.790 25.849 -16.490 1.00 19.72 C ATOM 198 NE ARG A 15 -34.218 26.001 -17.829 1.00 21.04 N ATOM 199 CZ ARG A 15 -34.646 25.358 -18.911 1.00 21.90 C ATOM 200 NH1 ARG A 15 -35.655 24.502 -18.828 1.00 24.03 N ATOM 201 NH2 ARG A 15 -34.070 25.581 -20.084 1.00 23.67 N ATOM 202 HE ARG A 15 -33.420 26.659 -17.942 1.00 0.00 H ATOM 203 HH12 ARG A 15 -35.985 24.003 -19.679 1.00 0.00 H ATOM 204 HH11 ARG A 15 -36.117 24.330 -17.912 1.00 0.00 H ATOM 205 HH22 ARG A 15 -34.404 25.079 -20.931 1.00 0.00 H ATOM 206 HH21 ARG A 15 -33.284 26.258 -20.157 1.00 0.00 H ATOM 207 H ARG A 15 -36.791 27.068 -12.197 1.00 0.00 H ATOM 208 N ALA A 16 -34.330 28.960 -13.106 1.00 17.21 N ATOM 209 CA ALA A 16 -33.348 30.039 -13.161 1.00 18.33 C ATOM 210 C ALA A 16 -32.066 29.549 -12.491 1.00 18.96 C ATOM 211 O ALA A 16 -30.958 29.797 -12.979 1.00 17.88 O ATOM 212 CB ALA A 16 -33.879 31.275 -12.447 1.00 17.96 C ATOM 213 H ALA A 16 -35.192 29.077 -12.536 1.00 0.00 H ATOM 214 N GLU A 17 -32.220 28.853 -11.367 1.00 17.49 N ATOM 215 CA GLU A 17 -31.072 28.309 -10.653 1.00 16.74 C ATOM 216 C GLU A 17 -30.440 27.228 -11.526 1.00 17.10 C ATOM 217 O GLU A 17 -29.218 27.105 -11.596 1.00 15.99 O ATOM 218 CB GLU A 17 -31.505 27.687 -9.323 1.00 19.52 C ATOM 219 CG GLU A 17 -30.356 27.057 -8.553 1.00 22.56 C ATOM 220 CD GLU A 17 -29.641 28.042 -7.652 1.00 27.89 C ATOM 221 OE1 GLU A 17 -29.415 29.198 -8.080 1.00 28.34 O ATOM 222 OE2 GLU A 17 -29.298 27.655 -6.513 1.00 30.77 O ATOM 223 H GLU A 17 -33.177 28.695 -10.992 1.00 0.00 H ATOM 224 N GLY A 18 -31.286 26.437 -12.181 1.00 16.20 N ATOM 225 CA GLY A 18 -30.793 25.382 -13.047 1.00 17.74 C ATOM 226 C GLY A 18 -29.936 25.937 -14.171 1.00 18.60 C ATOM 227 O GLY A 18 -28.874 25.395 -14.477 1.00 16.84 O ATOM 228 H GLY A 18 -32.311 26.576 -12.071 1.00 0.00 H ATOM 229 N ASP A 19 -30.399 27.021 -14.787 1.00 18.54 N ATOM 230 CA ASP A 19 -29.655 27.646 -15.876 1.00 19.86 C ATOM 231 C ASP A 19 -28.306 28.147 -15.383 1.00 18.25 C ATOM 232 O ASP A 19 -27.287 28.007 -16.062 1.00 19.84 O ATOM 233 CB ASP A 19 -30.433 28.830 -16.461 1.00 21.07 C ATOM 234 CG ASP A 19 -31.655 28.401 -17.243 1.00 21.33 C ATOM 235 OD1 ASP A 19 -31.662 27.270 -17.767 1.00 22.63 O ATOM 236 OD2 ASP A 19 -32.602 29.208 -17.349 1.00 22.23 O ATOM 237 H ASP A 19 -31.307 27.430 -14.488 1.00 0.00 H ATOM 238 N LYS A 20 -28.315 28.732 -14.193 1.00 19.18 N ATOM 239 CA LYS A 20 -27.109 29.282 -13.592 1.00 18.56 C ATOM 240 C LYS A 20 -26.095 28.189 -13.259 1.00 18.95 C ATOM 241 O LYS A 20 -24.900 28.349 -13.495 1.00 17.16 O ATOM 242 CB LYS A 20 -27.488 30.064 -12.332 1.00 20.57 C ATOM 243 CG LYS A 20 -26.423 31.016 -11.827 1.00 26.96 C ATOM 244 CD LYS A 20 -25.747 30.482 -10.584 1.00 31.78 C ATOM 245 CE LYS A 20 -25.729 31.528 -9.481 1.00 34.36 C ATOM 246 NZ LYS A 20 -27.105 31.818 -8.990 1.00 37.17 N ATOM 247 HZ1 LYS A 20 -27.684 32.175 -9.777 1.00 0.00 H ATOM 248 HZ2 LYS A 20 -27.528 30.946 -8.614 1.00 0.00 H ATOM 249 HZ3 LYS A 20 -27.060 32.535 -8.238 1.00 0.00 H ATOM 250 H LYS A 20 -29.213 28.800 -13.672 1.00 0.00 H ATOM 251 N ILE A 21 -26.575 27.070 -12.722 1.00 16.27 N ATOM 252 CA ILE A 21 -25.687 25.970 -12.359 1.00 17.21 C ATOM 253 C ILE A 21 -25.089 25.279 -13.584 1.00 17.99 C ATOM 254 O ILE A 21 -23.922 24.884 -13.573 1.00 17.07 O ATOM 255 CB ILE A 21 -26.430 24.925 -11.492 1.00 17.32 C ATOM 256 CG1 ILE A 21 -26.846 25.565 -10.163 1.00 17.98 C ATOM 257 CG2 ILE A 21 -25.550 23.700 -11.262 1.00 17.88 C ATOM 258 CD1 ILE A 21 -25.698 26.188 -9.375 1.00 21.21 C ATOM 259 H ILE A 21 -27.598 26.978 -12.559 1.00 0.00 H ATOM 260 N ARG A 22 -25.886 25.123 -14.636 1.00 18.52 N ATOM 261 CA ARG A 22 -25.388 24.488 -15.846 1.00 21.49 C ATOM 262 C ARG A 22 -24.399 25.399 -16.556 1.00 22.54 C ATOM 263 O ARG A 22 -23.522 24.928 -17.269 1.00 23.54 O ATOM 264 CB ARG A 22 -26.540 24.126 -16.784 1.00 24.49 C ATOM 265 CG ARG A 22 -27.439 23.026 -16.238 1.00 26.55 C ATOM 266 CD ARG A 22 -26.647 21.761 -15.890 1.00 28.50 C ATOM 267 NE ARG A 22 -26.222 21.023 -17.074 1.00 32.29 N ATOM 268 CZ ARG A 22 -25.356 20.014 -17.057 1.00 34.39 C ATOM 269 NH1 ARG A 22 -24.812 19.620 -15.914 1.00 35.42 N ATOM 270 NH2 ARG A 22 -25.044 19.391 -18.184 1.00 35.59 N ATOM 271 HE ARG A 22 -26.622 21.304 -17.992 1.00 0.00 H ATOM 272 HH12 ARG A 22 -24.135 18.830 -15.905 1.00 0.00 H ATOM 273 HH11 ARG A 22 -25.062 20.100 -15.026 1.00 0.00 H ATOM 274 HH22 ARG A 22 -24.367 18.602 -18.172 1.00 0.00 H ATOM 275 HH21 ARG A 22 -25.476 19.691 -19.081 1.00 0.00 H ATOM 276 H ARG A 22 -26.870 25.456 -14.594 1.00 0.00 H ATOM 277 N ARG A 23 -24.553 26.704 -16.358 1.00 22.58 N ATOM 278 CA ARG A 23 -23.667 27.699 -16.954 1.00 24.76 C ATOM 279 C ARG A 23 -22.329 27.821 -16.230 1.00 24.47 C ATOM 280 O ARG A 23 -21.274 27.886 -16.856 1.00 25.02 O ATOM 281 CB ARG A 23 -24.354 29.071 -16.959 1.00 26.15 C ATOM 282 CG ARG A 23 -23.451 30.220 -17.393 1.00 30.87 C ATOM 283 CD ARG A 23 -24.195 31.555 -17.409 1.00 33.69 C ATOM 284 NE ARG A 23 -24.571 32.008 -16.073 1.00 37.20 N ATOM 285 CZ ARG A 23 -23.706 32.418 -15.150 1.00 39.07 C ATOM 286 NH1 ARG A 23 -22.407 32.439 -15.414 1.00 39.97 N ATOM 287 NH2 ARG A 23 -24.140 32.806 -13.959 1.00 40.89 N ATOM 288 HE ARG A 23 -25.582 32.010 -15.827 1.00 0.00 H ATOM 289 HH12 ARG A 23 -21.734 32.760 -14.689 1.00 0.00 H ATOM 290 HH11 ARG A 23 -22.061 32.134 -16.346 1.00 0.00 H ATOM 291 HH22 ARG A 23 -23.463 33.126 -13.238 1.00 0.00 H ATOM 292 HH21 ARG A 23 -25.158 32.790 -13.746 1.00 0.00 H ATOM 293 H ARG A 23 -25.335 27.029 -15.755 1.00 0.00 H ATOM 294 N LYS A 24 -22.382 27.854 -14.905 1.00 22.74 N ATOM 295 CA LYS A 24 -21.183 28.014 -14.092 1.00 23.77 C ATOM 296 C LYS A 24 -20.381 26.746 -13.813 1.00 23.55 C ATOM 297 O LYS A 24 -19.159 26.803 -13.676 1.00 21.55 O ATOM 298 CB LYS A 24 -21.556 28.698 -12.771 1.00 26.14 C ATOM 299 CG LYS A 24 -22.270 30.026 -12.972 1.00 28.67 C ATOM 300 CD LYS A 24 -22.656 30.675 -11.652 1.00 32.67 C ATOM 301 CE LYS A 24 -21.446 31.171 -10.877 1.00 35.91 C ATOM 302 NZ LYS A 24 -21.864 31.911 -9.649 1.00 37.91 N ATOM 303 HZ1 LYS A 24 -22.446 32.729 -9.920 1.00 0.00 H ATOM 304 HZ2 LYS A 24 -22.417 31.279 -9.036 1.00 0.00 H ATOM 305 HZ3 LYS A 24 -21.019 32.239 -9.139 1.00 0.00 H ATOM 306 H LYS A 24 -23.304 27.763 -14.433 1.00 0.00 H ATOM 307 N TYR A 25 -21.057 25.605 -13.734 1.00 21.51 N ATOM 308 CA TYR A 25 -20.368 24.345 -13.454 1.00 23.35 C ATOM 309 C TYR A 25 -20.772 23.259 -14.447 1.00 24.40 C ATOM 310 O TYR A 25 -21.342 22.235 -14.069 1.00 23.86 O ATOM 311 CB TYR A 25 -20.685 23.888 -12.025 1.00 23.01 C ATOM 312 CG TYR A 25 -20.667 25.022 -11.023 1.00 24.21 C ATOM 313 CD1 TYR A 25 -19.480 25.689 -10.708 1.00 25.27 C ATOM 314 CD2 TYR A 25 -21.846 25.464 -10.425 1.00 24.39 C ATOM 315 CE1 TYR A 25 -19.476 26.773 -9.827 1.00 25.21 C ATOM 316 CE2 TYR A 25 -21.851 26.543 -9.546 1.00 24.35 C ATOM 317 CZ TYR A 25 -20.664 27.193 -9.252 1.00 25.82 C ATOM 318 OH TYR A 25 -20.676 28.275 -8.398 1.00 26.47 O ATOM 319 HH TYR A 25 -19.755 28.622 -8.294 1.00 0.00 H ATOM 320 H TYR A 25 -22.088 25.607 -13.873 1.00 0.00 H ATOM 321 N PRO A 26 -20.464 23.464 -15.736 1.00 25.69 N ATOM 322 CA PRO A 26 -20.799 22.507 -16.796 1.00 26.18 C ATOM 323 C PRO A 26 -20.133 21.137 -16.680 1.00 26.53 C ATOM 324 O PRO A 26 -20.584 20.172 -17.294 1.00 27.35 O ATOM 325 CB PRO A 26 -20.386 23.250 -18.064 1.00 27.12 C ATOM 326 CG PRO A 26 -19.200 24.039 -17.598 1.00 24.88 C ATOM 327 CD PRO A 26 -19.686 24.591 -16.279 1.00 25.85 C ATOM 328 N ASP A 27 -19.068 21.053 -15.890 1.00 26.79 N ATOM 329 CA ASP A 27 -18.346 19.798 -15.712 1.00 28.06 C ATOM 330 C ASP A 27 -18.902 18.997 -14.541 1.00 26.55 C ATOM 331 O ASP A 27 -18.305 18.010 -14.110 1.00 26.32 O ATOM 332 CB ASP A 27 -16.858 20.079 -15.485 1.00 30.81 C ATOM 333 CG ASP A 27 -16.595 20.835 -14.195 1.00 33.55 C ATOM 334 OD1 ASP A 27 -17.294 21.839 -13.937 1.00 35.70 O ATOM 335 OD2 ASP A 27 -15.681 20.432 -13.442 1.00 35.33 O ATOM 336 H ASP A 27 -18.741 21.902 -15.386 1.00 0.00 H ATOM 337 N ARG A 28 -20.050 19.423 -14.027 1.00 23.38 N ATOM 338 CA ARG A 28 -20.667 18.736 -12.899 1.00 21.03 C ATOM 339 C ARG A 28 -22.155 18.498 -13.094 1.00 16.95 C ATOM 340 O ARG A 28 -22.838 19.262 -13.773 1.00 18.23 O ATOM 341 CB ARG A 28 -20.444 19.537 -11.614 1.00 22.13 C ATOM 342 CG ARG A 28 -19.060 19.361 -11.000 1.00 26.86 C ATOM 343 CD ARG A 28 -18.933 18.009 -10.312 1.00 27.79 C ATOM 344 NE ARG A 28 -17.596 17.792 -9.764 1.00 31.17 N ATOM 345 CZ ARG A 28 -16.508 17.587 -10.501 1.00 33.24 C ATOM 346 NH1 ARG A 28 -16.594 17.566 -11.825 1.00 32.23 N ATOM 347 NH2 ARG A 28 -15.333 17.404 -9.914 1.00 34.76 N ATOM 348 HE ARG A 28 -17.488 17.798 -8.730 1.00 0.00 H ATOM 349 HH12 ARG A 28 -15.742 17.406 -12.399 1.00 0.00 H ATOM 350 HH11 ARG A 28 -17.514 17.710 -12.289 1.00 0.00 H ATOM 351 HH22 ARG A 28 -14.483 17.244 -10.491 1.00 0.00 H ATOM 352 HH21 ARG A 28 -15.262 17.421 -8.877 1.00 0.00 H ATOM 353 H ARG A 28 -20.516 20.259 -14.435 1.00 0.00 H ATOM 354 N ILE A 29 -22.638 17.417 -12.494 1.00 14.69 N ATOM 355 CA ILE A 29 -24.048 17.050 -12.550 1.00 12.52 C ATOM 356 C ILE A 29 -24.694 17.538 -11.254 1.00 11.58 C ATOM 357 O ILE A 29 -24.285 17.134 -10.162 1.00 12.26 O ATOM 358 CB ILE A 29 -24.224 15.519 -12.632 1.00 13.11 C ATOM 359 CG1 ILE A 29 -23.546 14.972 -13.892 1.00 13.73 C ATOM 360 CG2 ILE A 29 -25.706 15.166 -12.599 1.00 12.48 C ATOM 361 CD1 ILE A 29 -24.040 15.598 -15.188 1.00 14.06 C ATOM 362 H ILE A 29 -21.984 16.807 -11.963 1.00 0.00 H ATOM 363 N PRO A 30 -25.699 18.422 -11.358 1.00 10.69 N ATOM 364 CA PRO A 30 -26.386 18.953 -10.177 1.00 10.55 C ATOM 365 C PRO A 30 -27.546 18.049 -9.769 1.00 10.55 C ATOM 366 O PRO A 30 -28.440 17.767 -10.572 1.00 12.05 O ATOM 367 CB PRO A 30 -26.853 20.321 -10.648 1.00 12.17 C ATOM 368 CG PRO A 30 -27.248 20.042 -12.056 1.00 10.99 C ATOM 369 CD PRO A 30 -26.144 19.120 -12.579 1.00 10.22 C ATOM 370 N VAL A 31 -27.531 17.605 -8.518 1.00 11.04 N ATOM 371 CA VAL A 31 -28.572 16.720 -8.025 1.00 10.31 C ATOM 372 C VAL A 31 -29.244 17.254 -6.766 1.00 11.45 C ATOM 373 O VAL A 31 -28.609 17.888 -5.926 1.00 12.77 O ATOM 374 CB VAL A 31 -27.994 15.316 -7.711 1.00 12.58 C ATOM 375 CG1 VAL A 31 -27.286 14.756 -8.939 1.00 12.17 C ATOM 376 CG2 VAL A 31 -27.037 15.389 -6.542 1.00 12.56 C ATOM 377 H VAL A 31 -26.762 17.895 -7.881 1.00 0.00 H ATOM 378 N ILE A 32 -30.545 17.011 -6.660 1.00 9.04 N ATOM 379 CA ILE A 32 -31.312 17.409 -5.490 1.00 9.50 C ATOM 380 C ILE A 32 -31.580 16.073 -4.818 1.00 10.00 C ATOM 381 O ILE A 32 -32.193 15.187 -5.420 1.00 11.20 O ATOM 382 CB ILE A 32 -32.653 18.067 -5.881 1.00 11.46 C ATOM 383 CG1 ILE A 32 -32.397 19.331 -6.712 1.00 13.94 C ATOM 384 CG2 ILE A 32 -33.454 18.401 -4.631 1.00 11.87 C ATOM 385 CD1 ILE A 32 -31.630 20.417 -5.978 1.00 14.68 C ATOM 386 H ILE A 32 -31.031 16.521 -7.438 1.00 0.00 H ATOM 387 N VAL A 33 -31.092 15.917 -3.592 1.00 9.63 N ATOM 388 CA VAL A 33 -31.241 14.667 -2.856 1.00 10.96 C ATOM 389 C VAL A 33 -32.084 14.849 -1.607 1.00 11.38 C ATOM 390 O VAL A 33 -31.769 15.672 -0.750 1.00 12.03 O ATOM 391 CB VAL A 33 -29.852 14.113 -2.439 1.00 10.46 C ATOM 392 CG1 VAL A 33 -30.011 12.771 -1.733 1.00 11.11 C ATOM 393 CG2 VAL A 33 -28.959 13.983 -3.663 1.00 10.84 C ATOM 394 H VAL A 33 -30.589 16.710 -3.144 1.00 0.00 H ATOM 395 N GLU A 34 -33.153 14.064 -1.504 1.00 10.85 N ATOM 396 CA GLU A 34 -34.043 14.136 -0.357 1.00 12.35 C ATOM 397 C GLU A 34 -34.497 12.751 0.087 1.00 10.35 C ATOM 398 O GLU A 34 -34.530 11.807 -0.704 1.00 10.21 O ATOM 399 CB GLU A 34 -35.252 15.024 -0.677 1.00 12.84 C ATOM 400 CG GLU A 34 -34.885 16.497 -0.856 1.00 13.48 C ATOM 401 CD GLU A 34 -36.096 17.412 -0.856 1.00 14.73 C ATOM 402 OE1 GLU A 34 -36.985 17.214 0.001 1.00 16.09 O ATOM 403 OE2 GLU A 34 -36.155 18.336 -1.699 1.00 14.59 O ATOM 404 H GLU A 34 -33.357 13.382 -2.262 1.00 0.00 H ATOM 405 N LYS A 35 -34.831 12.645 1.367 1.00 11.50 N ATOM 406 CA LYS A 35 -35.255 11.384 1.957 1.00 11.00 C ATOM 407 C LYS A 35 -36.746 11.120 1.796 1.00 11.79 C ATOM 408 O LYS A 35 -37.564 12.036 1.880 1.00 11.52 O ATOM 409 CB LYS A 35 -34.902 11.365 3.447 1.00 12.08 C ATOM 410 CG LYS A 35 -35.085 10.012 4.105 1.00 13.02 C ATOM 411 CD LYS A 35 -34.748 10.058 5.586 1.00 14.63 C ATOM 412 CE LYS A 35 -35.769 10.871 6.366 1.00 18.85 C ATOM 413 NZ LYS A 35 -35.467 10.863 7.824 1.00 19.33 N ATOM 414 HZ1 LYS A 35 -35.485 9.884 8.175 1.00 0.00 H ATOM 415 HZ2 LYS A 35 -34.525 11.273 7.984 1.00 0.00 H ATOM 416 HZ3 LYS A 35 -36.182 11.426 8.328 1.00 0.00 H ATOM 417 H LYS A 35 -34.788 13.492 1.969 1.00 0.00 H ATOM 418 N ALA A 36 -37.093 9.857 1.567 1.00 12.06 N ATOM 419 CA ALA A 36 -38.490 9.467 1.420 1.00 12.60 C ATOM 420 C ALA A 36 -39.212 9.769 2.720 1.00 13.90 C ATOM 421 O ALA A 36 -38.658 9.592 3.807 1.00 13.01 O ATOM 422 CB ALA A 36 -38.588 7.980 1.116 1.00 10.94 C ATOM 423 H ALA A 36 -36.352 9.132 1.491 1.00 0.00 H ATOM 424 N PRO A 37 -40.466 10.224 2.630 1.00 15.97 N ATOM 425 CA PRO A 37 -41.203 10.525 3.855 1.00 18.52 C ATOM 426 C PRO A 37 -41.342 9.273 4.725 1.00 17.70 C ATOM 427 O PRO A 37 -41.490 8.158 4.215 1.00 18.82 O ATOM 428 CB PRO A 37 -42.544 11.042 3.331 1.00 19.67 C ATOM 429 CG PRO A 37 -42.721 10.283 2.059 1.00 22.10 C ATOM 430 CD PRO A 37 -41.333 10.347 1.447 1.00 18.22 C ATOM 431 N LYS A 38 -41.260 9.481 6.036 1.00 20.25 N ATOM 432 CA LYS A 38 -41.374 8.421 7.036 1.00 19.75 C ATOM 433 C LYS A 38 -40.180 7.479 7.156 1.00 19.06 C ATOM 434 O LYS A 38 -40.183 6.594 8.008 1.00 18.81 O ATOM 435 CB LYS A 38 -42.654 7.615 6.790 1.00 21.41 C ATOM 436 CG LYS A 38 -43.935 8.388 7.108 1.00 24.09 C ATOM 437 CD LYS A 38 -45.147 7.715 6.486 1.00 25.15 C ATOM 438 CE LYS A 38 -46.425 8.452 6.838 1.00 25.45 C ATOM 439 NZ LYS A 38 -47.232 7.734 7.873 1.00 27.87 N ATOM 440 HZ1 LYS A 38 -47.492 6.792 7.516 1.00 0.00 H ATOM 441 HZ2 LYS A 38 -46.669 7.634 8.742 1.00 0.00 H ATOM 442 HZ3 LYS A 38 -48.094 8.279 8.078 1.00 0.00 H ATOM 443 H LYS A 38 -41.106 10.454 6.369 1.00 0.00 H ATOM 444 N SER A 39 -39.160 7.653 6.318 1.00 15.95 N ATOM 445 CA SER A 39 -37.995 6.783 6.419 1.00 16.77 C ATOM 446 C SER A 39 -37.227 7.080 7.698 1.00 16.92 C ATOM 447 O SER A 39 -37.034 8.237 8.072 1.00 17.99 O ATOM 448 CB SER A 39 -37.058 6.955 5.223 1.00 13.90 C ATOM 449 OG SER A 39 -35.874 6.205 5.439 1.00 15.51 O ATOM 450 HG SER A 39 -36.105 5.248 5.543 1.00 0.00 H ATOM 451 H SER A 39 -39.194 8.403 5.598 1.00 0.00 H ATOM 452 N LYS A 40 -36.796 6.013 8.359 1.00 18.40 N ATOM 453 CA LYS A 40 -36.052 6.092 9.609 1.00 19.31 C ATOM 454 C LYS A 40 -34.590 6.467 9.421 1.00 16.91 C ATOM 455 O LYS A 40 -33.874 6.723 10.394 1.00 16.45 O ATOM 456 CB LYS A 40 -36.143 4.750 10.338 1.00 22.90 C ATOM 457 CG LYS A 40 -36.450 3.550 9.424 1.00 25.50 C ATOM 458 CD LYS A 40 -37.897 3.600 8.882 1.00 21.80 C ATOM 459 CE LYS A 40 -38.415 2.245 8.440 1.00 28.80 C ATOM 460 NZ LYS A 40 -38.560 2.107 6.984 1.00 23.59 N ATOM 461 HZ1 LYS A 40 -39.230 2.822 6.634 1.00 0.00 H ATOM 462 HZ2 LYS A 40 -37.635 2.246 6.530 1.00 0.00 H ATOM 463 HZ3 LYS A 40 -38.918 1.156 6.761 1.00 0.00 H ATOM 464 H LYS A 40 -37.000 5.073 7.965 1.00 0.00 H ATOM 465 N LEU A 41 -34.144 6.503 8.169 1.00 14.83 N ATOM 466 CA LEU A 41 -32.758 6.850 7.891 1.00 12.92 C ATOM 467 C LEU A 41 -32.470 8.277 8.335 1.00 12.63 C ATOM 468 O LEU A 41 -33.380 9.102 8.449 1.00 14.25 O ATOM 469 CB LEU A 41 -32.461 6.704 6.395 1.00 11.10 C ATOM 470 CG LEU A 41 -32.480 5.268 5.851 1.00 11.90 C ATOM 471 CD1 LEU A 41 -32.148 5.268 4.358 1.00 12.01 C ATOM 472 CD2 LEU A 41 -31.475 4.419 6.620 1.00 13.42 C ATOM 473 H LEU A 41 -34.789 6.282 7.384 1.00 0.00 H ATOM 474 N HIS A 42 -31.200 8.561 8.598 1.00 13.54 N ATOM 475 CA HIS A 42 -30.780 9.893 9.022 1.00 14.69 C ATOM 476 C HIS A 42 -30.971 10.908 7.903 1.00 16.91 C ATOM 477 O HIS A 42 -30.843 10.576 6.721 1.00 16.43 O ATOM 478 CB HIS A 42 -29.305 9.872 9.423 1.00 15.71 C ATOM 479 CG HIS A 42 -28.997 8.934 10.545 1.00 14.86 C ATOM 480 ND1 HIS A 42 -27.735 8.426 10.764 1.00 16.02 N ATOM 481 CD2 HIS A 42 -29.781 8.430 11.529 1.00 16.72 C ATOM 482 CE1 HIS A 42 -27.754 7.649 11.832 1.00 15.88 C ATOM 483 NE2 HIS A 42 -28.983 7.635 12.314 1.00 11.77 N ATOM 484 H HIS A 42 -30.484 7.813 8.499 1.00 0.00 H ATOM 485 N ASP A 43 -31.272 12.145 8.277 1.00 18.35 N ATOM 486 CA ASP A 43 -31.463 13.204 7.295 1.00 20.92 C ATOM 487 C ASP A 43 -30.117 13.748 6.858 1.00 20.70 C ATOM 488 O ASP A 43 -29.127 13.636 7.581 1.00 20.94 O ATOM 489 CB ASP A 43 -32.282 14.356 7.884 1.00 22.30 C ATOM 490 CG ASP A 43 -33.681 13.939 8.271 1.00 26.07 C ATOM 491 OD1 ASP A 43 -34.354 13.288 7.448 1.00 26.33 O ATOM 492 OD2 ASP A 43 -34.111 14.273 9.396 1.00 28.88 O ATOM 493 H ASP A 43 -31.373 12.362 9.289 1.00 0.00 H ATOM 494 N LEU A 44 -30.085 14.324 5.661 1.00 21.13 N ATOM 495 CA LEU A 44 -28.871 14.928 5.135 1.00 22.37 C ATOM 496 C LEU A 44 -28.879 16.390 5.552 1.00 22.96 C ATOM 497 O LEU A 44 -29.937 17.011 5.652 1.00 22.71 O ATOM 498 CB LEU A 44 -28.833 14.835 3.609 1.00 21.60 C ATOM 499 CG LEU A 44 -28.421 13.501 2.991 1.00 21.91 C ATOM 500 CD1 LEU A 44 -28.605 13.561 1.481 1.00 20.94 C ATOM 501 CD2 LEU A 44 -26.973 13.203 3.343 1.00 23.33 C ATOM 502 H LEU A 44 -30.951 14.343 5.085 1.00 0.00 H ATOM 503 N ASP A 45 -27.696 16.939 5.792 1.00 26.10 N ATOM 504 CA ASP A 45 -27.582 18.329 6.198 1.00 27.60 C ATOM 505 C ASP A 45 -28.027 19.258 5.069 1.00 26.19 C ATOM 506 O ASP A 45 -28.669 20.280 5.312 1.00 27.44 O ATOM 507 CB ASP A 45 -26.136 18.628 6.602 1.00 30.71 C ATOM 508 CG ASP A 45 -25.960 20.029 7.143 1.00 35.45 C ATOM 509 OD1 ASP A 45 -26.854 20.495 7.882 1.00 37.29 O ATOM 510 OD2 ASP A 45 -24.922 20.657 6.842 1.00 37.83 O ATOM 511 H ASP A 45 -26.835 16.365 5.688 1.00 0.00 H ATOM 512 N LYS A 46 -27.698 18.887 3.836 1.00 24.72 N ATOM 513 CA LYS A 46 -28.052 19.684 2.666 1.00 23.42 C ATOM 514 C LYS A 46 -28.700 18.794 1.615 1.00 20.78 C ATOM 515 O LYS A 46 -28.642 17.566 1.708 1.00 20.42 O ATOM 516 CB LYS A 46 -26.799 20.327 2.073 1.00 26.28 C ATOM 517 CG LYS A 46 -25.619 20.343 3.030 1.00 30.38 C ATOM 518 CD LYS A 46 -25.157 21.751 3.337 1.00 33.43 C ATOM 519 CE LYS A 46 -26.262 22.592 3.949 1.00 34.41 C ATOM 520 NZ LYS A 46 -25.778 23.971 4.231 1.00 33.53 N ATOM 521 HZ1 LYS A 46 -24.980 23.928 4.896 1.00 0.00 H ATOM 522 HZ2 LYS A 46 -25.468 24.416 3.344 1.00 0.00 H ATOM 523 HZ3 LYS A 46 -26.550 24.529 4.649 1.00 0.00 H ATOM 524 H LYS A 46 -27.171 18.000 3.701 1.00 0.00 H ATOM 525 N LYS A 47 -29.302 19.413 0.606 1.00 19.09 N ATOM 526 CA LYS A 47 -29.954 18.653 -0.450 1.00 18.02 C ATOM 527 C LYS A 47 -29.361 18.920 -1.833 1.00 16.89 C ATOM 528 O LYS A 47 -29.585 18.150 -2.757 1.00 13.61 O ATOM 529 CB LYS A 47 -31.455 18.961 -0.466 1.00 21.04 C ATOM 530 CG LYS A 47 -31.813 20.345 -0.986 1.00 24.08 C ATOM 531 CD LYS A 47 -33.327 20.529 -1.055 1.00 27.75 C ATOM 532 CE LYS A 47 -33.946 20.665 0.327 1.00 28.53 C ATOM 533 NZ LYS A 47 -33.556 21.948 0.975 1.00 29.01 N ATOM 534 HZ1 LYS A 47 -32.521 21.986 1.072 1.00 0.00 H ATOM 535 HZ2 LYS A 47 -33.880 22.744 0.389 1.00 0.00 H ATOM 536 HZ3 LYS A 47 -33.996 22.008 1.916 1.00 0.00 H ATOM 537 H LYS A 47 -29.308 20.452 0.570 1.00 0.00 H ATOM 538 N LYS A 48 -28.599 20.004 -1.970 1.00 15.78 N ATOM 539 CA LYS A 48 -27.994 20.363 -3.256 1.00 15.00 C ATOM 540 C LYS A 48 -26.551 19.877 -3.387 1.00 15.71 C ATOM 541 O LYS A 48 -25.655 20.367 -2.691 1.00 15.38 O ATOM 542 CB LYS A 48 -28.007 21.879 -3.441 1.00 16.92 C ATOM 543 CG LYS A 48 -29.379 22.528 -3.479 1.00 20.81 C ATOM 544 CD LYS A 48 -29.209 24.038 -3.595 1.00 22.51 C ATOM 545 CE LYS A 48 -30.530 24.752 -3.755 1.00 24.91 C ATOM 546 NZ LYS A 48 -30.334 26.231 -3.811 1.00 25.54 N ATOM 547 HZ1 LYS A 48 -29.884 26.553 -2.931 1.00 0.00 H ATOM 548 HZ2 LYS A 48 -29.725 26.468 -4.620 1.00 0.00 H ATOM 549 HZ3 LYS A 48 -31.257 26.698 -3.921 1.00 0.00 H ATOM 550 H LYS A 48 -28.429 20.611 -1.143 1.00 0.00 H ATOM 551 N TYR A 49 -26.322 18.938 -4.298 1.00 14.42 N ATOM 552 CA TYR A 49 -24.987 18.395 -4.501 1.00 14.39 C ATOM 553 C TYR A 49 -24.542 18.425 -5.952 1.00 13.32 C ATOM 554 O TYR A 49 -25.363 18.438 -6.865 1.00 12.75 O ATOM 555 CB TYR A 49 -24.928 16.952 -3.999 1.00 16.80 C ATOM 556 CG TYR A 49 -25.197 16.821 -2.524 1.00 19.05 C ATOM 557 CD1 TYR A 49 -24.204 17.110 -1.586 1.00 19.44 C ATOM 558 CD2 TYR A 49 -26.459 16.443 -2.058 1.00 18.70 C ATOM 559 CE1 TYR A 49 -24.460 17.027 -0.222 1.00 21.67 C ATOM 560 CE2 TYR A 49 -26.726 16.360 -0.698 1.00 19.57 C ATOM 561 CZ TYR A 49 -25.723 16.652 0.213 1.00 20.38 C ATOM 562 OH TYR A 49 -25.982 16.576 1.559 1.00 20.74 O ATOM 563 HH TYR A 49 -26.710 17.206 1.790 1.00 0.00 H ATOM 564 H TYR A 49 -27.111 18.584 -4.877 1.00 0.00 H ATOM 565 N LEU A 50 -23.227 18.445 -6.152 1.00 13.15 N ATOM 566 CA LEU A 50 -22.638 18.425 -7.485 1.00 12.28 C ATOM 567 C LEU A 50 -21.808 17.149 -7.533 1.00 15.75 C ATOM 568 O LEU A 50 -21.045 16.863 -6.607 1.00 16.78 O ATOM 569 CB LEU A 50 -21.733 19.646 -7.706 1.00 14.60 C ATOM 570 CG LEU A 50 -22.382 21.023 -7.786 1.00 12.89 C ATOM 571 CD1 LEU A 50 -21.306 22.098 -7.917 1.00 17.63 C ATOM 572 CD2 LEU A 50 -23.340 21.072 -8.962 1.00 14.64 C ATOM 573 H LEU A 50 -22.596 18.476 -5.326 1.00 0.00 H ATOM 574 N VAL A 51 -21.962 16.371 -8.598 1.00 14.19 N ATOM 575 CA VAL A 51 -21.206 15.131 -8.733 1.00 14.66 C ATOM 576 C VAL A 51 -20.609 15.007 -10.126 1.00 14.17 C ATOM 577 O VAL A 51 -21.129 15.571 -11.091 1.00 14.97 O ATOM 578 CB VAL A 51 -22.092 13.881 -8.471 1.00 14.94 C ATOM 579 CG1 VAL A 51 -22.519 13.839 -7.013 1.00 17.86 C ATOM 580 CG2 VAL A 51 -23.309 13.903 -9.385 1.00 16.96 C ATOM 581 H VAL A 51 -22.630 16.649 -9.345 1.00 0.00 H ATOM 582 N PRO A 52 -19.489 14.280 -10.246 1.00 16.07 N ATOM 583 CA PRO A 52 -18.840 14.092 -11.544 1.00 16.53 C ATOM 584 C PRO A 52 -19.770 13.303 -12.460 1.00 16.35 C ATOM 585 O PRO A 52 -20.520 12.443 -11.996 1.00 14.68 O ATOM 586 CB PRO A 52 -17.587 13.297 -11.192 1.00 19.26 C ATOM 587 CG PRO A 52 -17.285 13.736 -9.797 1.00 17.95 C ATOM 588 CD PRO A 52 -18.652 13.738 -9.162 1.00 18.52 C ATOM 589 N SER A 53 -19.719 13.601 -13.754 1.00 16.62 N ATOM 590 CA SER A 53 -20.558 12.915 -14.729 1.00 17.18 C ATOM 591 C SER A 53 -20.274 11.413 -14.799 1.00 17.57 C ATOM 592 O SER A 53 -21.174 10.618 -15.071 1.00 17.04 O ATOM 593 CB SER A 53 -20.360 13.543 -16.113 1.00 19.15 C ATOM 594 OG SER A 53 -21.095 12.844 -17.104 1.00 26.47 O ATOM 595 HG SER A 53 -20.790 11.903 -17.137 1.00 0.00 H ATOM 596 H SER A 53 -19.065 14.341 -14.079 1.00 0.00 H ATOM 597 N ASP A 54 -19.029 11.019 -14.546 1.00 17.04 N ATOM 598 CA ASP A 54 -18.661 9.607 -14.616 1.00 17.96 C ATOM 599 C ASP A 54 -18.833 8.817 -13.316 1.00 17.42 C ATOM 600 O ASP A 54 -18.526 7.625 -13.265 1.00 16.87 O ATOM 601 CB ASP A 54 -17.221 9.477 -15.125 1.00 21.76 C ATOM 602 CG ASP A 54 -16.211 10.103 -14.187 1.00 27.19 C ATOM 603 OD1 ASP A 54 -16.566 11.076 -13.488 1.00 30.29 O ATOM 604 OD2 ASP A 54 -15.054 9.631 -14.159 1.00 31.84 O ATOM 605 H ASP A 54 -18.308 11.725 -14.295 1.00 0.00 H ATOM 606 N LEU A 55 -19.324 9.470 -12.269 1.00 16.41 N ATOM 607 CA LEU A 55 -19.549 8.782 -11.001 1.00 15.27 C ATOM 608 C LEU A 55 -20.699 7.801 -11.220 1.00 15.38 C ATOM 609 O LEU A 55 -21.731 8.171 -11.775 1.00 15.50 O ATOM 610 CB LEU A 55 -19.937 9.783 -9.913 1.00 16.86 C ATOM 611 CG LEU A 55 -20.137 9.233 -8.498 1.00 16.93 C ATOM 612 CD1 LEU A 55 -18.785 9.055 -7.818 1.00 19.25 C ATOM 613 CD2 LEU A 55 -20.998 10.197 -7.700 1.00 17.74 C ATOM 614 H LEU A 55 -19.551 10.482 -12.353 1.00 0.00 H ATOM 615 N THR A 56 -20.529 6.555 -10.794 1.00 14.78 N ATOM 616 CA THR A 56 -21.588 5.567 -10.973 1.00 14.31 C ATOM 617 C THR A 56 -22.572 5.613 -9.809 1.00 14.56 C ATOM 618 O THR A 56 -22.285 6.190 -8.757 1.00 14.91 O ATOM 619 CB THR A 56 -21.024 4.139 -11.051 1.00 16.23 C ATOM 620 OG1 THR A 56 -20.438 3.788 -9.790 1.00 17.73 O ATOM 621 CG2 THR A 56 -19.970 4.040 -12.154 1.00 16.02 C ATOM 622 HG1 THR A 56 -20.075 2.868 -9.841 1.00 0.00 H ATOM 623 H THR A 56 -19.638 6.282 -10.331 1.00 0.00 H ATOM 624 N VAL A 57 -23.735 5.004 -10.011 1.00 14.28 N ATOM 625 CA VAL A 57 -24.756 4.945 -8.974 1.00 14.01 C ATOM 626 C VAL A 57 -24.164 4.193 -7.787 1.00 14.18 C ATOM 627 O VAL A 57 -24.421 4.529 -6.632 1.00 14.45 O ATOM 628 CB VAL A 57 -26.029 4.217 -9.487 1.00 13.55 C ATOM 629 CG1 VAL A 57 -26.945 3.869 -8.323 1.00 14.32 C ATOM 630 CG2 VAL A 57 -26.775 5.111 -10.479 1.00 14.55 C ATOM 631 H VAL A 57 -23.921 4.558 -10.932 1.00 0.00 H ATOM 632 N GLY A 58 -23.355 3.180 -8.080 1.00 14.23 N ATOM 633 CA GLY A 58 -22.731 2.407 -7.021 1.00 16.98 C ATOM 634 C GLY A 58 -21.813 3.245 -6.151 1.00 17.12 C ATOM 635 O GLY A 58 -21.815 3.114 -4.925 1.00 17.97 O ATOM 636 H GLY A 58 -23.168 2.939 -9.074 1.00 0.00 H ATOM 637 N GLN A 59 -21.026 4.112 -6.781 1.00 17.22 N ATOM 638 CA GLN A 59 -20.102 4.977 -6.057 1.00 17.45 C ATOM 639 C GLN A 59 -20.888 6.066 -5.334 1.00 16.99 C ATOM 640 O GLN A 59 -20.468 6.576 -4.296 1.00 17.50 O ATOM 641 CB GLN A 59 -19.094 5.589 -7.038 1.00 19.11 C ATOM 642 CG GLN A 59 -18.377 4.529 -7.860 1.00 23.25 C ATOM 643 CD GLN A 59 -17.508 5.101 -8.966 1.00 24.87 C ATOM 644 OE1 GLN A 59 -17.882 6.065 -9.637 1.00 21.40 O ATOM 645 NE2 GLN A 59 -16.347 4.490 -9.175 1.00 26.97 N ATOM 646 HE22 GLN A 59 -16.072 3.680 -8.584 1.00 0.00 H ATOM 647 HE21 GLN A 59 -15.713 4.822 -9.930 1.00 0.00 H ATOM 648 H GLN A 59 -21.071 4.175 -7.818 1.00 0.00 H ATOM 649 N PHE A 60 -22.042 6.411 -5.893 1.00 15.07 N ATOM 650 CA PHE A 60 -22.914 7.416 -5.306 1.00 15.89 C ATOM 651 C PHE A 60 -23.466 6.848 -3.996 1.00 16.17 C ATOM 652 O PHE A 60 -23.525 7.549 -2.984 1.00 14.67 O ATOM 653 CB PHE A 60 -24.054 7.725 -6.279 1.00 15.08 C ATOM 654 CG PHE A 60 -24.980 8.804 -5.817 1.00 18.80 C ATOM 655 CD1 PHE A 60 -24.639 10.141 -5.948 1.00 19.80 C ATOM 656 CD2 PHE A 60 -26.214 8.480 -5.273 1.00 21.61 C ATOM 657 CE1 PHE A 60 -25.524 11.147 -5.544 1.00 24.53 C ATOM 658 CE2 PHE A 60 -27.101 9.472 -4.867 1.00 23.02 C ATOM 659 CZ PHE A 60 -26.754 10.806 -5.004 1.00 21.98 C ATOM 660 H PHE A 60 -22.331 5.948 -6.778 1.00 0.00 H ATOM 661 N TYR A 61 -23.872 5.579 -4.024 1.00 15.51 N ATOM 662 CA TYR A 61 -24.401 4.906 -2.834 1.00 17.66 C ATOM 663 C TYR A 61 -23.370 4.984 -1.710 1.00 17.27 C ATOM 664 O TYR A 61 -23.709 5.229 -0.552 1.00 18.39 O ATOM 665 CB TYR A 61 -24.706 3.425 -3.131 1.00 17.72 C ATOM 666 CG TYR A 61 -26.119 3.115 -3.611 1.00 20.64 C ATOM 667 CD1 TYR A 61 -27.220 3.250 -2.760 1.00 22.13 C ATOM 668 CD2 TYR A 61 -26.349 2.649 -4.906 1.00 21.09 C ATOM 669 CE1 TYR A 61 -28.521 2.925 -3.194 1.00 22.47 C ATOM 670 CE2 TYR A 61 -27.639 2.323 -5.348 1.00 20.91 C ATOM 671 CZ TYR A 61 -28.719 2.463 -4.492 1.00 22.81 C ATOM 672 OH TYR A 61 -29.990 2.154 -4.948 1.00 21.42 O ATOM 673 HH TYR A 61 -30.018 1.204 -5.226 1.00 0.00 H ATOM 674 H TYR A 61 -23.812 5.050 -4.917 1.00 0.00 H ATOM 675 N PHE A 62 -22.106 4.771 -2.061 1.00 18.48 N ATOM 676 CA PHE A 62 -21.019 4.810 -1.086 1.00 18.58 C ATOM 677 C PHE A 62 -20.921 6.176 -0.412 1.00 17.91 C ATOM 678 O PHE A 62 -20.849 6.271 0.814 1.00 17.09 O ATOM 679 CB PHE A 62 -19.691 4.489 -1.776 1.00 22.28 C ATOM 680 CG PHE A 62 -18.519 4.426 -0.839 1.00 28.22 C ATOM 681 CD1 PHE A 62 -18.212 3.249 -0.162 1.00 31.16 C ATOM 682 CD2 PHE A 62 -17.729 5.551 -0.621 1.00 30.40 C ATOM 683 CE1 PHE A 62 -17.131 3.194 0.721 1.00 32.06 C ATOM 684 CE2 PHE A 62 -16.650 5.506 0.258 1.00 32.57 C ATOM 685 CZ PHE A 62 -16.351 4.325 0.930 1.00 32.63 C ATOM 686 H PHE A 62 -21.885 4.571 -3.057 1.00 0.00 H ATOM 687 N LEU A 63 -20.917 7.235 -1.214 1.00 16.59 N ATOM 688 CA LEU A 63 -20.819 8.589 -0.671 1.00 16.45 C ATOM 689 C LEU A 63 -21.994 8.940 0.234 1.00 16.33 C ATOM 690 O LEU A 63 -21.818 9.575 1.278 1.00 17.42 O ATOM 691 CB LEU A 63 -20.714 9.607 -1.808 1.00 17.20 C ATOM 692 CG LEU A 63 -19.414 9.513 -2.616 1.00 18.93 C ATOM 693 CD1 LEU A 63 -19.489 10.436 -3.818 1.00 20.01 C ATOM 694 CD2 LEU A 63 -18.231 9.878 -1.723 1.00 20.61 C ATOM 695 H LEU A 63 -20.985 7.099 -2.243 1.00 0.00 H ATOM 696 N ILE A 64 -23.194 8.534 -0.166 1.00 14.50 N ATOM 697 CA ILE A 64 -24.381 8.809 0.632 1.00 13.59 C ATOM 698 C ILE A 64 -24.348 8.020 1.935 1.00 14.60 C ATOM 699 O ILE A 64 -24.667 8.556 2.996 1.00 14.51 O ATOM 700 CB ILE A 64 -25.672 8.464 -0.144 1.00 13.99 C ATOM 701 CG1 ILE A 64 -25.848 9.446 -1.311 1.00 13.83 C ATOM 702 CG2 ILE A 64 -26.881 8.515 0.793 1.00 14.37 C ATOM 703 CD1 ILE A 64 -26.043 10.900 -0.887 1.00 15.34 C ATOM 704 H ILE A 64 -23.287 8.013 -1.061 1.00 0.00 H ATOM 705 N ARG A 65 -23.961 6.749 1.862 1.00 16.01 N ATOM 706 CA ARG A 65 -23.895 5.931 3.069 1.00 19.36 C ATOM 707 C ARG A 65 -23.026 6.603 4.123 1.00 20.00 C ATOM 708 O ARG A 65 -23.349 6.579 5.310 1.00 20.45 O ATOM 709 CB ARG A 65 -23.341 4.535 2.760 1.00 20.94 C ATOM 710 CG ARG A 65 -24.384 3.537 2.269 1.00 24.97 C ATOM 711 CD ARG A 65 -23.870 2.106 2.411 1.00 27.35 C ATOM 712 NE ARG A 65 -24.922 1.103 2.244 1.00 30.95 N ATOM 713 CZ ARG A 65 -25.444 0.745 1.076 1.00 30.58 C ATOM 714 NH1 ARG A 65 -25.014 1.304 -0.046 1.00 33.57 N ATOM 715 NH2 ARG A 65 -26.399 -0.174 1.029 1.00 29.56 N ATOM 716 HE ARG A 65 -25.287 0.638 3.100 1.00 0.00 H ATOM 717 HH12 ARG A 65 -25.425 1.021 -0.959 1.00 0.00 H ATOM 718 HH11 ARG A 65 -24.266 2.025 -0.014 1.00 0.00 H ATOM 719 HH22 ARG A 65 -26.807 -0.454 0.114 1.00 0.00 H ATOM 720 HH21 ARG A 65 -26.740 -0.615 1.907 1.00 0.00 H ATOM 721 H ARG A 65 -23.705 6.337 0.942 1.00 0.00 H ATOM 722 N LYS A 66 -21.929 7.217 3.691 1.00 20.38 N ATOM 723 CA LYS A 66 -21.040 7.887 4.634 1.00 21.22 C ATOM 724 C LYS A 66 -21.731 9.096 5.238 1.00 20.35 C ATOM 725 O LYS A 66 -21.700 9.294 6.453 1.00 19.57 O ATOM 726 CB LYS A 66 -19.747 8.325 3.939 1.00 24.10 C ATOM 727 CG LYS A 66 -19.159 7.261 3.033 1.00 29.44 C ATOM 728 CD LYS A 66 -19.260 5.882 3.664 1.00 31.68 C ATOM 729 CE LYS A 66 -19.259 4.807 2.597 1.00 32.69 C ATOM 730 NZ LYS A 66 -19.752 3.502 3.105 1.00 35.64 N ATOM 731 HZ1 LYS A 66 -19.142 3.182 3.884 1.00 0.00 H ATOM 732 HZ2 LYS A 66 -20.727 3.611 3.449 1.00 0.00 H ATOM 733 HZ3 LYS A 66 -19.731 2.802 2.336 1.00 0.00 H ATOM 734 H LYS A 66 -21.703 7.220 2.676 1.00 0.00 H ATOM 735 N ARG A 67 -22.365 9.896 4.387 1.00 18.91 N ATOM 736 CA ARG A 67 -23.051 11.095 4.843 1.00 19.08 C ATOM 737 C ARG A 67 -24.213 10.843 5.805 1.00 19.87 C ATOM 738 O ARG A 67 -24.506 11.693 6.642 1.00 19.74 O ATOM 739 CB ARG A 67 -23.530 11.916 3.640 1.00 21.41 C ATOM 740 CG ARG A 67 -22.429 12.745 2.984 1.00 23.52 C ATOM 741 CD ARG A 67 -22.945 13.469 1.748 1.00 26.47 C ATOM 742 NE ARG A 67 -21.947 14.349 1.137 1.00 28.45 N ATOM 743 CZ ARG A 67 -21.625 15.561 1.587 1.00 27.80 C ATOM 744 NH1 ARG A 67 -22.219 16.058 2.665 1.00 28.12 N ATOM 745 NH2 ARG A 67 -20.715 16.282 0.947 1.00 25.92 N ATOM 746 HE ARG A 67 -21.453 14.003 0.290 1.00 0.00 H ATOM 747 HH12 ARG A 67 -21.962 17.005 3.010 1.00 0.00 H ATOM 748 HH11 ARG A 67 -22.941 15.501 3.164 1.00 0.00 H ATOM 749 HH22 ARG A 67 -20.462 17.228 1.296 1.00 0.00 H ATOM 750 HH21 ARG A 67 -20.254 15.901 0.096 1.00 0.00 H ATOM 751 H ARG A 67 -22.371 9.660 3.374 1.00 0.00 H ATOM 752 N ILE A 68 -24.876 9.693 5.694 1.00 17.08 N ATOM 753 CA ILE A 68 -25.986 9.398 6.597 1.00 17.90 C ATOM 754 C ILE A 68 -25.623 8.306 7.604 1.00 19.39 C ATOM 755 O ILE A 68 -26.496 7.648 8.177 1.00 17.99 O ATOM 756 CB ILE A 68 -27.268 8.977 5.843 1.00 16.97 C ATOM 757 CG1 ILE A 68 -27.003 7.742 4.983 1.00 17.59 C ATOM 758 CG2 ILE A 68 -27.763 10.130 4.984 1.00 19.25 C ATOM 759 CD1 ILE A 68 -28.263 7.158 4.353 1.00 18.49 C ATOM 760 H ILE A 68 -24.603 9.004 4.964 1.00 0.00 H ATOM 761 N GLN A 69 -24.323 8.124 7.809 1.00 19.56 N ATOM 762 CA GLN A 69 -23.795 7.157 8.762 1.00 22.58 C ATOM 763 C GLN A 69 -24.399 5.759 8.670 1.00 23.57 C ATOM 764 O GLN A 69 -24.840 5.200 9.675 1.00 23.88 O ATOM 765 CB GLN A 69 -23.965 7.679 10.193 1.00 22.67 C ATOM 766 CG GLN A 69 -23.306 9.021 10.473 1.00 24.81 C ATOM 767 CD GLN A 69 -24.127 10.186 9.967 1.00 26.30 C ATOM 768 OE1 GLN A 69 -25.356 10.168 10.034 1.00 24.93 O ATOM 769 NE2 GLN A 69 -23.453 11.215 9.471 1.00 27.44 N ATOM 770 HE22 GLN A 69 -22.414 11.187 9.434 1.00 0.00 H ATOM 771 HE21 GLN A 69 -23.963 12.050 9.119 1.00 0.00 H ATOM 772 H GLN A 69 -23.650 8.699 7.263 1.00 0.00 H ATOM 773 N LEU A 70 -24.423 5.194 7.468 1.00 24.07 N ATOM 774 CA LEU A 70 -24.961 3.855 7.265 1.00 25.89 C ATOM 775 C LEU A 70 -23.803 2.912 7.004 1.00 28.59 C ATOM 776 O LEU A 70 -22.762 3.323 6.491 1.00 28.34 O ATOM 777 CB LEU A 70 -25.914 3.813 6.064 1.00 25.14 C ATOM 778 CG LEU A 70 -27.409 4.006 6.297 1.00 25.83 C ATOM 779 CD1 LEU A 70 -28.156 3.657 5.014 1.00 25.69 C ATOM 780 CD2 LEU A 70 -27.905 3.137 7.444 1.00 24.84 C ATOM 781 H LEU A 70 -24.049 5.720 6.652 1.00 0.00 H ATOM 782 N ARG A 71 -23.982 1.647 7.357 1.00 30.48 N ATOM 783 CA ARG A 71 -22.943 0.652 7.135 1.00 33.24 C ATOM 784 C ARG A 71 -23.243 -0.076 5.831 1.00 34.84 C ATOM 785 O ARG A 71 -24.379 -0.070 5.357 1.00 34.43 O ATOM 786 CB ARG A 71 -22.916 -0.337 8.299 1.00 34.85 C ATOM 787 CG ARG A 71 -22.855 0.347 9.653 1.00 35.95 C ATOM 788 CD ARG A 71 -23.976 -0.141 10.544 1.00 38.09 C ATOM 789 NE ARG A 71 -23.552 -1.228 11.418 1.00 38.80 N ATOM 790 CZ ARG A 71 -24.370 -2.158 11.894 1.00 38.94 C ATOM 791 NH1 ARG A 71 -23.902 -3.107 12.694 1.00 39.67 N ATOM 792 NH2 ARG A 71 -25.651 -2.152 11.549 1.00 39.04 N ATOM 793 HE ARG A 71 -22.548 -1.278 11.684 1.00 0.00 H ATOM 794 HH12 ARG A 71 -24.543 -3.836 13.067 1.00 0.00 H ATOM 795 HH11 ARG A 71 -22.894 -3.122 12.948 1.00 0.00 H ATOM 796 HH22 ARG A 71 -26.293 -2.880 11.921 1.00 0.00 H ATOM 797 HH21 ARG A 71 -26.013 -1.419 10.906 1.00 0.00 H ATOM 798 H ARG A 71 -24.879 1.361 7.799 1.00 0.00 H ATOM 799 N PRO A 72 -22.225 -0.708 5.230 1.00 36.48 N ATOM 800 CA PRO A 72 -22.408 -1.435 3.972 1.00 37.43 C ATOM 801 C PRO A 72 -23.573 -2.422 3.988 1.00 37.80 C ATOM 802 O PRO A 72 -24.250 -2.606 2.975 1.00 39.06 O ATOM 803 CB PRO A 72 -21.061 -2.128 3.783 1.00 37.86 C ATOM 804 CG PRO A 72 -20.107 -1.139 4.373 1.00 38.04 C ATOM 805 CD PRO A 72 -20.813 -0.744 5.653 1.00 37.76 C ATOM 806 N GLU A 73 -23.814 -3.046 5.138 1.00 38.05 N ATOM 807 CA GLU A 73 -24.889 -4.025 5.250 1.00 38.49 C ATOM 808 C GLU A 73 -26.272 -3.464 5.566 1.00 36.79 C ATOM 809 O GLU A 73 -27.234 -4.224 5.685 1.00 37.55 O ATOM 810 CB GLU A 73 -24.531 -5.099 6.285 1.00 41.39 C ATOM 811 CG GLU A 73 -24.183 -4.583 7.675 1.00 44.56 C ATOM 812 CD GLU A 73 -22.779 -4.016 7.759 1.00 46.77 C ATOM 813 OE1 GLU A 73 -22.007 -4.191 6.792 1.00 48.01 O ATOM 814 OE2 GLU A 73 -22.442 -3.406 8.796 1.00 48.29 O ATOM 815 H GLU A 73 -23.227 -2.832 5.970 1.00 0.00 H ATOM 816 N ASP A 74 -26.383 -2.146 5.705 1.00 34.03 N ATOM 817 CA ASP A 74 -27.680 -1.541 5.987 1.00 31.28 C ATOM 818 C ASP A 74 -28.399 -1.227 4.684 1.00 27.61 C ATOM 819 O ASP A 74 -27.778 -0.800 3.711 1.00 28.87 O ATOM 820 CB ASP A 74 -27.519 -0.264 6.811 1.00 31.37 C ATOM 821 CG ASP A 74 -26.961 -0.531 8.190 1.00 32.78 C ATOM 822 OD1 ASP A 74 -27.444 -1.472 8.857 1.00 34.12 O ATOM 823 OD2 ASP A 74 -26.044 0.205 8.609 1.00 32.64 O ATOM 824 H ASP A 74 -25.540 -1.543 5.612 1.00 0.00 H ATOM 825 N ALA A 75 -29.710 -1.441 4.672 1.00 24.22 N ATOM 826 CA ALA A 75 -30.516 -1.203 3.478 1.00 21.27 C ATOM 827 C ALA A 75 -30.593 0.263 3.067 1.00 19.23 C ATOM 828 O ALA A 75 -30.898 1.141 3.877 1.00 16.62 O ATOM 829 CB ALA A 75 -31.921 -1.754 3.682 1.00 22.11 C ATOM 830 H ALA A 75 -30.174 -1.787 5.536 1.00 0.00 H ATOM 831 N LEU A 76 -30.319 0.510 1.790 1.00 15.21 N ATOM 832 CA LEU A 76 -30.364 1.851 1.220 1.00 13.49 C ATOM 833 C LEU A 76 -30.767 1.703 -0.240 1.00 13.57 C ATOM 834 O LEU A 76 -30.162 0.925 -0.984 1.00 14.19 O ATOM 835 CB LEU A 76 -28.994 2.538 1.310 1.00 12.63 C ATOM 836 CG LEU A 76 -28.907 3.926 0.660 1.00 11.78 C ATOM 837 CD1 LEU A 76 -29.892 4.870 1.337 1.00 12.23 C ATOM 838 CD2 LEU A 76 -27.491 4.470 0.761 1.00 12.93 C ATOM 839 H LEU A 76 -30.062 -0.286 1.172 1.00 0.00 H ATOM 840 N PHE A 77 -31.797 2.437 -0.639 1.00 11.17 N ATOM 841 CA PHE A 77 -32.285 2.392 -2.013 1.00 12.13 C ATOM 842 C PHE A 77 -32.480 3.797 -2.558 1.00 10.34 C ATOM 843 O PHE A 77 -32.864 4.712 -1.826 1.00 9.73 O ATOM 844 CB PHE A 77 -33.626 1.651 -2.080 1.00 13.59 C ATOM 845 CG PHE A 77 -33.538 0.200 -1.705 1.00 16.60 C ATOM 846 CD1 PHE A 77 -33.101 -0.748 -2.626 1.00 14.78 C ATOM 847 CD2 PHE A 77 -33.871 -0.218 -0.421 1.00 15.57 C ATOM 848 CE1 PHE A 77 -32.997 -2.095 -2.271 1.00 17.89 C ATOM 849 CE2 PHE A 77 -33.770 -1.556 -0.057 1.00 18.14 C ATOM 850 CZ PHE A 77 -33.333 -2.497 -0.981 1.00 18.53 C ATOM 851 H PHE A 77 -32.269 3.061 0.046 1.00 0.00 H ATOM 852 N PHE A 78 -32.207 3.970 -3.846 1.00 10.39 N ATOM 853 CA PHE A 78 -32.403 5.261 -4.491 1.00 9.39 C ATOM 854 C PHE A 78 -33.527 5.137 -5.503 1.00 9.56 C ATOM 855 O PHE A 78 -33.757 4.063 -6.060 1.00 9.02 O ATOM 856 CB PHE A 78 -31.165 5.717 -5.269 1.00 10.74 C ATOM 857 CG PHE A 78 -29.982 6.037 -4.416 1.00 13.23 C ATOM 858 CD1 PHE A 78 -30.127 6.696 -3.200 1.00 13.40 C ATOM 859 CD2 PHE A 78 -28.706 5.721 -4.859 1.00 17.95 C ATOM 860 CE1 PHE A 78 -29.011 7.034 -2.437 1.00 17.05 C ATOM 861 CE2 PHE A 78 -27.589 6.053 -4.108 1.00 20.86 C ATOM 862 CZ PHE A 78 -27.741 6.711 -2.894 1.00 18.40 C ATOM 863 H PHE A 78 -31.847 3.170 -4.404 1.00 0.00 H ATOM 864 N PHE A 79 -34.218 6.245 -5.736 1.00 7.59 N ATOM 865 CA PHE A 79 -35.282 6.283 -6.720 1.00 9.01 C ATOM 866 C PHE A 79 -35.076 7.498 -7.614 1.00 10.29 C ATOM 867 O PHE A 79 -34.927 8.620 -7.130 1.00 10.15 O ATOM 868 CB PHE A 79 -36.647 6.375 -6.047 1.00 9.00 C ATOM 869 CG PHE A 79 -36.955 5.212 -5.164 1.00 11.09 C ATOM 870 CD1 PHE A 79 -36.578 5.220 -3.828 1.00 11.64 C ATOM 871 CD2 PHE A 79 -37.603 4.093 -5.676 1.00 12.77 C ATOM 872 CE1 PHE A 79 -36.843 4.130 -3.008 1.00 14.89 C ATOM 873 CE2 PHE A 79 -37.872 2.995 -4.866 1.00 12.73 C ATOM 874 CZ PHE A 79 -37.491 3.014 -3.525 1.00 12.83 C ATOM 875 H PHE A 79 -33.991 7.107 -5.200 1.00 0.00 H ATOM 876 N VAL A 80 -35.042 7.257 -8.919 1.00 11.67 N ATOM 877 CA VAL A 80 -34.881 8.316 -9.904 1.00 11.78 C ATOM 878 C VAL A 80 -36.023 8.115 -10.886 1.00 13.71 C ATOM 879 O VAL A 80 -36.214 7.015 -11.395 1.00 12.17 O ATOM 880 CB VAL A 80 -33.534 8.198 -10.647 1.00 13.48 C ATOM 881 CG1 VAL A 80 -33.431 9.282 -11.712 1.00 14.37 C ATOM 882 CG2 VAL A 80 -32.384 8.330 -9.658 1.00 13.64 C ATOM 883 H VAL A 80 -35.134 6.275 -9.250 1.00 0.00 H ATOM 884 N ASN A 81 -36.791 9.168 -11.144 1.00 13.86 N ATOM 885 CA ASN A 81 -37.929 9.048 -12.051 1.00 17.13 C ATOM 886 C ASN A 81 -38.861 8.004 -11.438 1.00 16.07 C ATOM 887 O ASN A 81 -39.487 7.206 -12.145 1.00 15.44 O ATOM 888 CB ASN A 81 -37.471 8.585 -13.438 1.00 17.52 C ATOM 889 CG ASN A 81 -38.572 8.680 -14.479 1.00 21.84 C ATOM 890 OD1 ASN A 81 -38.549 7.973 -15.490 1.00 25.07 O ATOM 891 ND2 ASN A 81 -39.536 9.563 -14.244 1.00 21.97 N ATOM 892 HD22 ASN A 81 -39.515 10.138 -13.378 1.00 0.00 H ATOM 893 HD21 ASN A 81 -40.312 9.679 -14.926 1.00 0.00 H ATOM 894 H ASN A 81 -36.580 10.083 -10.697 1.00 0.00 H ATOM 895 N ASN A 82 -38.907 8.002 -10.108 1.00 14.87 N ATOM 896 CA ASN A 82 -39.752 7.101 -9.332 1.00 13.90 C ATOM 897 C ASN A 82 -39.418 5.605 -9.407 1.00 13.96 C ATOM 898 O ASN A 82 -40.219 4.775 -8.984 1.00 14.25 O ATOM 899 CB ASN A 82 -41.218 7.343 -9.712 1.00 14.93 C ATOM 900 CG ASN A 82 -41.637 8.801 -9.526 1.00 17.93 C ATOM 901 OD1 ASN A 82 -42.369 9.358 -10.346 1.00 22.00 O ATOM 902 ND2 ASN A 82 -41.180 9.418 -8.445 1.00 16.79 N ATOM 903 HD22 ASN A 82 -40.564 8.911 -7.778 1.00 0.00 H ATOM 904 HD21 ASN A 82 -41.437 10.409 -8.264 1.00 0.00 H ATOM 905 H ASN A 82 -38.308 8.679 -9.594 1.00 0.00 H ATOM 906 N VAL A 83 -38.239 5.257 -9.920 1.00 11.40 N ATOM 907 CA VAL A 83 -37.837 3.850 -9.999 1.00 12.26 C ATOM 908 C VAL A 83 -36.385 3.680 -9.546 1.00 10.31 C ATOM 909 O VAL A 83 -35.642 4.648 -9.450 1.00 9.71 O ATOM 910 CB VAL A 83 -37.994 3.282 -11.429 1.00 12.60 C ATOM 911 CG1 VAL A 83 -39.431 3.443 -11.895 1.00 15.57 C ATOM 912 CG2 VAL A 83 -37.036 3.971 -12.382 1.00 15.66 C ATOM 913 H VAL A 83 -37.594 5.995 -10.270 1.00 0.00 H ATOM 914 N ILE A 84 -35.988 2.446 -9.259 1.00 11.09 N ATOM 915 CA ILE A 84 -34.627 2.172 -8.800 1.00 11.17 C ATOM 916 C ILE A 84 -33.653 2.043 -9.968 1.00 11.91 C ATOM 917 O ILE A 84 -33.874 1.254 -10.887 1.00 10.77 O ATOM 918 CB ILE A 84 -34.585 0.879 -7.965 1.00 11.42 C ATOM 919 CG1 ILE A 84 -35.548 1.004 -6.784 1.00 13.27 C ATOM 920 CG2 ILE A 84 -33.166 0.611 -7.482 1.00 11.33 C ATOM 921 CD1 ILE A 84 -35.558 -0.193 -5.857 1.00 13.56 C ATOM 922 H ILE A 84 -36.659 1.658 -9.363 1.00 0.00 H ATOM 923 N PRO A 85 -32.562 2.828 -9.949 1.00 11.85 N ATOM 924 CA PRO A 85 -31.554 2.798 -11.016 1.00 12.72 C ATOM 925 C PRO A 85 -30.567 1.647 -10.855 1.00 14.13 C ATOM 926 O PRO A 85 -30.482 1.037 -9.789 1.00 16.22 O ATOM 927 CB PRO A 85 -30.874 4.154 -10.870 1.00 11.61 C ATOM 928 CG PRO A 85 -30.861 4.327 -9.367 1.00 11.39 C ATOM 929 CD PRO A 85 -32.268 3.904 -8.982 1.00 12.17 C ATOM 930 N GLN A 86 -29.832 1.337 -11.920 1.00 16.51 N ATOM 931 CA GLN A 86 -28.829 0.281 -11.838 1.00 18.10 C ATOM 932 C GLN A 86 -27.534 0.862 -11.311 1.00 18.80 C ATOM 933 O GLN A 86 -27.199 2.011 -11.594 1.00 18.48 O ATOM 934 CB GLN A 86 -28.607 -0.379 -13.202 1.00 22.77 C ATOM 935 CG GLN A 86 -29.696 -1.366 -13.553 1.00 24.93 C ATOM 936 CD GLN A 86 -29.862 -2.433 -12.470 1.00 27.90 C ATOM 937 OE1 GLN A 86 -29.029 -3.332 -12.318 1.00 29.64 O ATOM 938 NE2 GLN A 86 -30.939 -2.323 -11.702 1.00 29.31 N ATOM 939 HE22 GLN A 86 -31.616 -1.550 -11.864 1.00 0.00 H ATOM 940 HE21 GLN A 86 -31.106 -3.009 -10.939 1.00 0.00 H ATOM 941 H GLN A 86 -29.973 1.849 -12.814 1.00 0.00 H ATOM 942 N THR A 87 -26.800 0.062 -10.548 1.00 18.79 N ATOM 943 CA THR A 87 -25.551 0.526 -9.949 1.00 20.97 C ATOM 944 C THR A 87 -24.454 0.923 -10.934 1.00 18.80 C ATOM 945 O THR A 87 -23.612 1.755 -10.610 1.00 18.43 O ATOM 946 CB THR A 87 -24.977 -0.535 -8.984 1.00 22.36 C ATOM 947 OG1 THR A 87 -24.601 -1.696 -9.731 1.00 27.50 O ATOM 948 CG2 THR A 87 -26.030 -0.935 -7.953 1.00 25.80 C ATOM 949 HG1 THR A 87 -24.233 -2.378 -9.115 1.00 0.00 H ATOM 950 H THR A 87 -27.119 -0.912 -10.373 1.00 0.00 H ATOM 951 N MET A 88 -24.462 0.348 -12.134 1.00 18.98 N ATOM 952 CA MET A 88 -23.427 0.671 -13.116 1.00 20.73 C ATOM 953 C MET A 88 -23.694 1.926 -13.943 1.00 18.78 C ATOM 954 O MET A 88 -22.810 2.406 -14.644 1.00 19.29 O ATOM 955 CB MET A 88 -23.194 -0.520 -14.048 1.00 23.98 C ATOM 956 CG MET A 88 -22.726 -1.764 -13.319 1.00 28.87 C ATOM 957 SD MET A 88 -22.174 -3.057 -14.437 1.00 37.03 S ATOM 958 CE MET A 88 -21.290 -4.127 -13.290 1.00 37.70 C ATOM 959 H MET A 88 -25.208 -0.335 -12.375 1.00 0.00 H ATOM 960 N THR A 89 -24.906 2.461 -13.858 1.00 17.39 N ATOM 961 CA THR A 89 -25.250 3.668 -14.602 1.00 15.63 C ATOM 962 C THR A 89 -24.493 4.849 -13.994 1.00 15.51 C ATOM 963 O THR A 89 -24.314 4.904 -12.781 1.00 16.60 O ATOM 964 CB THR A 89 -26.760 3.950 -14.510 1.00 16.18 C ATOM 965 OG1 THR A 89 -27.484 2.787 -14.930 1.00 18.00 O ATOM 966 CG2 THR A 89 -27.141 5.131 -15.389 1.00 18.04 C ATOM 967 HG1 THR A 89 -27.243 2.569 -15.865 1.00 0.00 H ATOM 968 H THR A 89 -25.622 2.013 -13.251 1.00 0.00 H ATOM 969 N THR A 90 -24.040 5.782 -14.827 1.00 13.88 N ATOM 970 CA THR A 90 -23.324 6.950 -14.315 1.00 14.38 C ATOM 971 C THR A 90 -24.295 8.089 -14.057 1.00 13.64 C ATOM 972 O THR A 90 -25.404 8.102 -14.589 1.00 13.87 O ATOM 973 CB THR A 90 -22.256 7.471 -15.307 1.00 14.22 C ATOM 974 OG1 THR A 90 -22.905 8.027 -16.458 1.00 15.64 O ATOM 975 CG2 THR A 90 -21.330 6.349 -15.741 1.00 15.52 C ATOM 976 HG1 THR A 90 -22.222 8.360 -17.092 1.00 0.00 H ATOM 977 H THR A 90 -24.196 5.680 -15.850 1.00 0.00 H ATOM 978 N MET A 91 -23.872 9.051 -13.240 1.00 13.70 N ATOM 979 CA MET A 91 -24.703 10.211 -12.923 1.00 14.23 C ATOM 980 C MET A 91 -24.996 11.011 -14.187 1.00 13.56 C ATOM 981 O MET A 91 -26.076 11.586 -14.334 1.00 12.07 O ATOM 982 CB MET A 91 -23.994 11.124 -11.921 1.00 16.34 C ATOM 983 CG MET A 91 -23.874 10.563 -10.525 1.00 19.09 C ATOM 984 SD MET A 91 -25.494 10.266 -9.795 1.00 26.98 S ATOM 985 CE MET A 91 -25.489 8.608 -9.837 1.00 8.30 C ATOM 986 H MET A 91 -22.925 8.975 -12.816 1.00 0.00 H ATOM 987 N GLY A 92 -24.016 11.060 -15.083 1.00 12.22 N ATOM 988 CA GLY A 92 -24.188 11.786 -16.324 1.00 13.36 C ATOM 989 C GLY A 92 -25.251 11.123 -17.175 1.00 13.06 C ATOM 990 O GLY A 92 -26.041 11.793 -17.839 1.00 13.85 O ATOM 991 H GLY A 92 -23.118 10.573 -14.891 1.00 0.00 H ATOM 992 N GLN A 93 -25.280 9.795 -17.153 1.00 12.91 N ATOM 993 CA GLN A 93 -26.274 9.069 -17.936 1.00 11.73 C ATOM 994 C GLN A 93 -27.665 9.266 -17.344 1.00 10.78 C ATOM 995 O GLN A 93 -28.635 9.453 -18.077 1.00 12.35 O ATOM 996 CB GLN A 93 -25.907 7.585 -18.002 1.00 12.99 C ATOM 997 CG GLN A 93 -24.614 7.348 -18.764 1.00 14.31 C ATOM 998 CD GLN A 93 -24.144 5.910 -18.715 1.00 15.88 C ATOM 999 OE1 GLN A 93 -24.296 5.230 -17.705 1.00 15.93 O ATOM 1000 NE2 GLN A 93 -23.545 5.447 -19.806 1.00 18.56 N ATOM 1001 HE22 GLN A 93 -23.438 6.059 -20.640 1.00 0.00 H ATOM 1002 HE21 GLN A 93 -23.183 4.472 -19.827 1.00 0.00 H ATOM 1003 H GLN A 93 -24.592 9.271 -16.576 1.00 0.00 H ATOM 1004 N LEU A 94 -27.766 9.235 -16.018 1.00 12.23 N ATOM 1005 CA LEU A 94 -29.058 9.444 -15.372 1.00 11.75 C ATOM 1006 C LEU A 94 -29.555 10.853 -15.667 1.00 12.69 C ATOM 1007 O LEU A 94 -30.738 11.072 -15.918 1.00 13.55 O ATOM 1008 CB LEU A 94 -28.949 9.276 -13.854 1.00 12.00 C ATOM 1009 CG LEU A 94 -28.827 7.872 -13.265 1.00 13.30 C ATOM 1010 CD1 LEU A 94 -28.696 7.999 -11.751 1.00 13.98 C ATOM 1011 CD2 LEU A 94 -30.049 7.036 -13.626 1.00 10.80 C ATOM 1012 H LEU A 94 -26.920 9.061 -15.439 1.00 0.00 H ATOM 1013 N TYR A 95 -28.643 11.819 -15.620 1.00 10.84 N ATOM 1014 CA TYR A 95 -29.023 13.194 -15.879 1.00 10.33 C ATOM 1015 C TYR A 95 -29.535 13.363 -17.306 1.00 11.67 C ATOM 1016 O TYR A 95 -30.568 13.986 -17.538 1.00 11.94 O ATOM 1017 CB TYR A 95 -27.835 14.128 -15.633 1.00 11.50 C ATOM 1018 CG TYR A 95 -28.185 15.585 -15.809 1.00 10.81 C ATOM 1019 CD1 TYR A 95 -28.103 16.195 -17.061 1.00 11.11 C ATOM 1020 CD2 TYR A 95 -28.635 16.349 -14.729 1.00 10.96 C ATOM 1021 CE1 TYR A 95 -28.462 17.532 -17.234 1.00 12.53 C ATOM 1022 CE2 TYR A 95 -28.996 17.686 -14.892 1.00 10.57 C ATOM 1023 CZ TYR A 95 -28.908 18.270 -16.149 1.00 10.91 C ATOM 1024 OH TYR A 95 -29.274 19.583 -16.323 1.00 13.20 O ATOM 1025 HH TYR A 95 -30.225 19.695 -16.072 1.00 0.00 H ATOM 1026 H TYR A 95 -27.654 11.588 -15.397 1.00 0.00 H ATOM 1027 N GLN A 96 -28.810 12.791 -18.258 1.00 11.27 N ATOM 1028 CA GLN A 96 -29.188 12.877 -19.659 1.00 12.88 C ATOM 1029 C GLN A 96 -30.598 12.344 -19.920 1.00 13.59 C ATOM 1030 O GLN A 96 -31.356 12.939 -20.688 1.00 13.73 O ATOM 1031 CB GLN A 96 -28.175 12.106 -20.508 1.00 11.91 C ATOM 1032 CG GLN A 96 -28.512 12.014 -21.992 1.00 13.44 C ATOM 1033 CD GLN A 96 -27.440 11.281 -22.779 1.00 13.34 C ATOM 1034 OE1 GLN A 96 -26.888 10.285 -22.317 1.00 13.81 O ATOM 1035 NE2 GLN A 96 -27.151 11.766 -23.983 1.00 17.99 N ATOM 1036 HE22 GLN A 96 -27.643 12.612 -24.335 1.00 0.00 H ATOM 1037 HE21 GLN A 96 -26.433 11.299 -24.573 1.00 0.00 H ATOM 1038 H GLN A 96 -27.950 12.268 -17.996 1.00 0.00 H ATOM 1039 N ASP A 97 -30.941 11.230 -19.275 1.00 13.69 N ATOM 1040 CA ASP A 97 -32.247 10.602 -19.459 1.00 13.46 C ATOM 1041 C ASP A 97 -33.365 11.097 -18.562 1.00 14.51 C ATOM 1042 O ASP A 97 -34.533 11.080 -18.960 1.00 15.14 O ATOM 1043 CB ASP A 97 -32.165 9.083 -19.245 1.00 13.12 C ATOM 1044 CG ASP A 97 -31.188 8.406 -20.172 1.00 14.95 C ATOM 1045 OD1 ASP A 97 -31.121 8.804 -21.354 1.00 14.13 O ATOM 1046 OD2 ASP A 97 -30.494 7.466 -19.720 1.00 15.15 O ATOM 1047 H ASP A 97 -30.259 10.795 -18.621 1.00 0.00 H ATOM 1048 N HIS A 98 -33.022 11.551 -17.360 1.00 14.71 N ATOM 1049 CA HIS A 98 -34.056 11.929 -16.406 1.00 13.96 C ATOM 1050 C HIS A 98 -34.043 13.287 -15.720 1.00 13.15 C ATOM 1051 O HIS A 98 -34.809 13.500 -14.777 1.00 11.94 O ATOM 1052 CB HIS A 98 -34.118 10.839 -15.334 1.00 15.55 C ATOM 1053 CG HIS A 98 -34.184 9.455 -15.897 1.00 17.33 C ATOM 1054 ND1 HIS A 98 -35.258 9.004 -16.635 1.00 16.11 N ATOM 1055 CD2 HIS A 98 -33.290 8.438 -15.873 1.00 16.50 C ATOM 1056 CE1 HIS A 98 -35.020 7.770 -17.045 1.00 17.72 C ATOM 1057 NE2 HIS A 98 -33.833 7.404 -16.596 1.00 17.88 N ATOM 1058 H HIS A 98 -32.018 11.636 -17.102 1.00 0.00 H ATOM 1059 N HIS A 99 -33.203 14.212 -16.166 1.00 12.39 N ATOM 1060 CA HIS A 99 -33.182 15.514 -15.516 1.00 13.09 C ATOM 1061 C HIS A 99 -34.548 16.172 -15.663 1.00 15.22 C ATOM 1062 O HIS A 99 -35.237 15.988 -16.672 1.00 15.08 O ATOM 1063 CB HIS A 99 -32.072 16.405 -16.100 1.00 14.63 C ATOM 1064 CG HIS A 99 -32.349 16.921 -17.478 1.00 18.44 C ATOM 1065 ND1 HIS A 99 -33.285 17.900 -17.734 1.00 16.99 N ATOM 1066 CD2 HIS A 99 -31.783 16.620 -18.671 1.00 19.05 C ATOM 1067 CE1 HIS A 99 -33.283 18.182 -19.025 1.00 19.30 C ATOM 1068 NE2 HIS A 99 -32.380 17.419 -19.616 1.00 20.26 N ATOM 1069 H HIS A 99 -32.570 14.010 -16.966 1.00 0.00 H ATOM 1070 N GLU A 100 -34.941 16.911 -14.631 1.00 16.01 N ATOM 1071 CA GLU A 100 -36.218 17.614 -14.593 1.00 17.82 C ATOM 1072 C GLU A 100 -36.144 18.815 -15.531 1.00 18.27 C ATOM 1073 O GLU A 100 -35.061 19.200 -15.972 1.00 16.89 O ATOM 1074 CB GLU A 100 -36.493 18.099 -13.167 1.00 22.98 C ATOM 1075 CG GLU A 100 -37.944 18.436 -12.888 1.00 28.19 C ATOM 1076 CD GLU A 100 -38.768 17.200 -12.582 1.00 32.86 C ATOM 1077 OE1 GLU A 100 -38.675 16.685 -11.448 1.00 36.07 O ATOM 1078 OE2 GLU A 100 -39.495 16.733 -13.479 1.00 34.96 O ATOM 1079 H GLU A 100 -34.307 16.992 -13.811 1.00 0.00 H ATOM 1080 N GLU A 101 -37.292 19.415 -15.827 1.00 17.53 N ATOM 1081 CA GLU A 101 -37.308 20.570 -16.714 1.00 19.30 C ATOM 1082 C GLU A 101 -36.649 21.798 -16.095 1.00 17.66 C ATOM 1083 O GLU A 101 -36.417 22.790 -16.786 1.00 17.04 O ATOM 1084 CB GLU A 101 -38.739 20.884 -17.157 1.00 22.72 C ATOM 1085 CG GLU A 101 -39.247 19.925 -18.226 1.00 29.38 C ATOM 1086 CD GLU A 101 -40.665 20.229 -18.681 1.00 33.71 C ATOM 1087 OE1 GLU A 101 -40.935 21.390 -19.060 1.00 36.36 O ATOM 1088 OE2 GLU A 101 -41.506 19.304 -18.665 1.00 37.49 O ATOM 1089 H GLU A 101 -38.182 19.059 -15.424 1.00 0.00 H ATOM 1090 N ASP A 102 -36.343 21.737 -14.800 1.00 14.97 N ATOM 1091 CA ASP A 102 -35.670 22.855 -14.140 1.00 13.95 C ATOM 1092 C ASP A 102 -34.160 22.648 -14.241 1.00 13.21 C ATOM 1093 O ASP A 102 -33.376 23.419 -13.690 1.00 13.88 O ATOM 1094 CB ASP A 102 -36.109 22.995 -12.669 1.00 13.83 C ATOM 1095 CG ASP A 102 -35.794 21.769 -11.822 1.00 12.98 C ATOM 1096 OD1 ASP A 102 -35.283 20.764 -12.356 1.00 12.80 O ATOM 1097 OD2 ASP A 102 -36.069 21.824 -10.601 1.00 12.87 O ATOM 1098 H ASP A 102 -36.585 20.886 -14.253 1.00 0.00 H ATOM 1099 N LEU A 103 -33.786 21.595 -14.967 1.00 12.76 N ATOM 1100 CA LEU A 103 -32.397 21.212 -15.225 1.00 13.85 C ATOM 1101 C LEU A 103 -31.650 20.526 -14.082 1.00 12.04 C ATOM 1102 O LEU A 103 -30.415 20.468 -14.074 1.00 12.92 O ATOM 1103 CB LEU A 103 -31.603 22.423 -15.728 1.00 13.97 C ATOM 1104 CG LEU A 103 -32.186 23.085 -16.983 1.00 14.31 C ATOM 1105 CD1 LEU A 103 -31.213 24.136 -17.497 1.00 15.36 C ATOM 1106 CD2 LEU A 103 -32.450 22.042 -18.060 1.00 17.63 C ATOM 1107 H LEU A 103 -34.535 21.003 -15.380 1.00 0.00 H ATOM 1108 N PHE A 104 -32.396 19.984 -13.125 1.00 11.30 N ATOM 1109 CA PHE A 104 -31.781 19.271 -12.013 1.00 10.77 C ATOM 1110 C PHE A 104 -32.171 17.806 -12.069 1.00 10.47 C ATOM 1111 O PHE A 104 -33.206 17.452 -12.637 1.00 11.58 O ATOM 1112 CB PHE A 104 -32.238 19.850 -10.669 1.00 10.62 C ATOM 1113 CG PHE A 104 -31.761 21.248 -10.423 1.00 10.69 C ATOM 1114 CD1 PHE A 104 -30.404 21.546 -10.475 1.00 12.80 C ATOM 1115 CD2 PHE A 104 -32.661 22.270 -10.144 1.00 14.23 C ATOM 1116 CE1 PHE A 104 -29.951 22.841 -10.254 1.00 13.24 C ATOM 1117 CE2 PHE A 104 -32.216 23.573 -9.918 1.00 12.64 C ATOM 1118 CZ PHE A 104 -30.860 23.855 -9.974 1.00 12.65 C ATOM 1119 H PHE A 104 -33.431 20.070 -13.170 1.00 0.00 H ATOM 1120 N LEU A 105 -31.325 16.956 -11.499 1.00 10.19 N ATOM 1121 CA LEU A 105 -31.616 15.529 -11.428 1.00 9.62 C ATOM 1122 C LEU A 105 -32.065 15.288 -9.991 1.00 10.39 C ATOM 1123 O LEU A 105 -31.349 15.637 -9.053 1.00 11.76 O ATOM 1124 CB LEU A 105 -30.363 14.699 -11.712 1.00 10.53 C ATOM 1125 CG LEU A 105 -30.546 13.193 -11.487 1.00 9.47 C ATOM 1126 CD1 LEU A 105 -31.620 12.661 -12.425 1.00 10.67 C ATOM 1127 CD2 LEU A 105 -29.233 12.477 -11.733 1.00 8.68 C ATOM 1128 H LEU A 105 -30.437 17.315 -11.095 1.00 0.00 H ATOM 1129 N TYR A 106 -33.243 14.699 -9.815 1.00 8.43 N ATOM 1130 CA TYR A 106 -33.755 14.437 -8.473 1.00 9.30 C ATOM 1131 C TYR A 106 -33.542 12.991 -8.060 1.00 10.55 C ATOM 1132 O TYR A 106 -33.831 12.071 -8.821 1.00 10.72 O ATOM 1133 CB TYR A 106 -35.244 14.769 -8.393 1.00 9.57 C ATOM 1134 CG TYR A 106 -35.544 16.248 -8.439 1.00 10.01 C ATOM 1135 CD1 TYR A 106 -35.406 16.977 -9.624 1.00 10.50 C ATOM 1136 CD2 TYR A 106 -35.965 16.923 -7.295 1.00 8.83 C ATOM 1137 CE1 TYR A 106 -35.685 18.345 -9.660 1.00 10.02 C ATOM 1138 CE2 TYR A 106 -36.243 18.283 -7.320 1.00 10.64 C ATOM 1139 CZ TYR A 106 -36.103 18.988 -8.504 1.00 11.56 C ATOM 1140 OH TYR A 106 -36.389 20.334 -8.519 1.00 14.36 O ATOM 1141 HH TYR A 106 -36.241 20.691 -9.430 1.00 0.00 H ATOM 1142 H TYR A 106 -33.807 14.421 -10.643 1.00 0.00 H ATOM 1143 N ILE A 107 -33.031 12.804 -6.847 1.00 10.09 N ATOM 1144 CA ILE A 107 -32.778 11.474 -6.315 1.00 9.65 C ATOM 1145 C ILE A 107 -33.348 11.353 -4.907 1.00 10.33 C ATOM 1146 O ILE A 107 -33.032 12.148 -4.025 1.00 10.40 O ATOM 1147 CB ILE A 107 -31.258 11.169 -6.272 1.00 10.39 C ATOM 1148 CG1 ILE A 107 -30.663 11.329 -7.677 1.00 13.18 C ATOM 1149 CG2 ILE A 107 -31.019 9.749 -5.744 1.00 11.99 C ATOM 1150 CD1 ILE A 107 -29.172 11.050 -7.764 1.00 17.91 C ATOM 1151 H ILE A 107 -32.805 13.633 -6.261 1.00 0.00 H ATOM 1152 N ALA A 108 -34.210 10.363 -4.702 1.00 8.58 N ATOM 1153 CA ALA A 108 -34.798 10.145 -3.388 1.00 9.15 C ATOM 1154 C ALA A 108 -34.113 8.929 -2.782 1.00 10.23 C ATOM 1155 O ALA A 108 -33.746 8.000 -3.503 1.00 10.21 O ATOM 1156 CB ALA A 108 -36.300 9.891 -3.521 1.00 11.00 C ATOM 1157 H ALA A 108 -34.468 9.736 -5.490 1.00 0.00 H ATOM 1158 N TYR A 109 -33.899 8.936 -1.471 1.00 8.95 N ATOM 1159 CA TYR A 109 -33.278 7.772 -0.835 1.00 9.48 C ATOM 1160 C TYR A 109 -34.154 7.260 0.295 1.00 9.20 C ATOM 1161 O TYR A 109 -34.906 8.020 0.913 1.00 8.71 O ATOM 1162 CB TYR A 109 -31.855 8.072 -0.320 1.00 10.61 C ATOM 1163 CG TYR A 109 -31.757 8.983 0.885 1.00 9.11 C ATOM 1164 CD1 TYR A 109 -31.754 10.369 0.741 1.00 9.07 C ATOM 1165 CD2 TYR A 109 -31.638 8.456 2.172 1.00 9.64 C ATOM 1166 CE1 TYR A 109 -31.628 11.208 1.845 1.00 11.34 C ATOM 1167 CE2 TYR A 109 -31.516 9.288 3.284 1.00 10.04 C ATOM 1168 CZ TYR A 109 -31.507 10.663 3.112 1.00 9.39 C ATOM 1169 OH TYR A 109 -31.356 11.498 4.201 1.00 12.12 O ATOM 1170 HH TYR A 109 -31.372 12.440 3.898 1.00 0.00 H ATOM 1171 H TYR A 109 -34.170 9.762 -0.900 1.00 0.00 H ATOM 1172 N SER A 110 -34.070 5.958 0.537 1.00 8.27 N ATOM 1173 CA SER A 110 -34.868 5.329 1.577 1.00 10.41 C ATOM 1174 C SER A 110 -34.274 4.007 2.005 1.00 11.61 C ATOM 1175 O SER A 110 -33.369 3.472 1.361 1.00 10.30 O ATOM 1176 CB SER A 110 -36.293 5.082 1.071 1.00 11.47 C ATOM 1177 OG SER A 110 -37.085 4.455 2.070 1.00 12.91 O ATOM 1178 HG SER A 110 -37.999 4.306 1.720 1.00 0.00 H ATOM 1179 H SER A 110 -33.420 5.376 -0.029 1.00 0.00 H ATOM 1180 N ASP A 111 -34.800 3.479 3.104 1.00 13.46 N ATOM 1181 CA ASP A 111 -34.354 2.195 3.608 1.00 13.88 C ATOM 1182 C ASP A 111 -35.303 1.134 3.061 1.00 13.94 C ATOM 1183 O ASP A 111 -35.082 -0.058 3.241 1.00 15.01 O ATOM 1184 CB ASP A 111 -34.381 2.193 5.139 1.00 12.98 C ATOM 1185 CG ASP A 111 -35.763 2.457 5.691 1.00 17.49 C ATOM 1186 OD1 ASP A 111 -36.339 3.525 5.391 1.00 14.48 O ATOM 1187 OD2 ASP A 111 -36.278 1.589 6.427 1.00 21.86 O ATOM 1188 H ASP A 111 -35.546 3.996 3.612 1.00 0.00 H ATOM 1189 N GLU A 112 -36.368 1.574 2.398 1.00 13.33 N ATOM 1190 CA GLU A 112 -37.329 0.642 1.821 1.00 15.50 C ATOM 1191 C GLU A 112 -37.286 0.670 0.302 1.00 14.55 C ATOM 1192 O GLU A 112 -37.105 1.723 -0.313 1.00 12.42 O ATOM 1193 CB GLU A 112 -38.728 0.941 2.335 1.00 18.81 C ATOM 1194 CG GLU A 112 -38.808 0.756 3.836 1.00 25.06 C ATOM 1195 CD GLU A 112 -40.217 0.751 4.343 1.00 28.59 C ATOM 1196 OE1 GLU A 112 -40.945 -0.227 4.059 1.00 33.79 O ATOM 1197 OE2 GLU A 112 -40.596 1.727 5.020 1.00 32.10 O ATOM 1198 H GLU A 112 -36.518 2.597 2.289 1.00 0.00 H ATOM 1199 N SER A 113 -37.470 -0.502 -0.293 1.00 13.77 N ATOM 1200 CA SER A 113 -37.390 -0.656 -1.738 1.00 13.14 C ATOM 1201 C SER A 113 -38.696 -0.614 -2.519 1.00 14.36 C ATOM 1202 O SER A 113 -38.678 -0.407 -3.735 1.00 15.18 O ATOM 1203 CB SER A 113 -36.676 -1.969 -2.053 1.00 13.51 C ATOM 1204 OG SER A 113 -37.406 -3.059 -1.513 1.00 13.77 O ATOM 1205 HG SER A 113 -37.477 -2.953 -0.531 1.00 0.00 H ATOM 1206 H SER A 113 -37.678 -1.337 0.292 1.00 0.00 H ATOM 1207 N VAL A 114 -39.817 -0.819 -1.835 1.00 14.45 N ATOM 1208 CA VAL A 114 -41.118 -0.832 -2.493 1.00 15.87 C ATOM 1209 C VAL A 114 -42.166 0.035 -1.795 1.00 15.47 C ATOM 1210 O VAL A 114 -42.314 -0.018 -0.572 1.00 15.72 O ATOM 1211 CB VAL A 114 -41.651 -2.283 -2.595 1.00 16.63 C ATOM 1212 CG1 VAL A 114 -43.041 -2.290 -3.226 1.00 18.00 C ATOM 1213 CG2 VAL A 114 -40.686 -3.129 -3.413 1.00 16.66 C ATOM 1214 H VAL A 114 -39.765 -0.974 -0.808 1.00 0.00 H ATOM 1215 N TYR A 115 -42.897 0.817 -2.589 1.00 16.54 N ATOM 1216 CA TYR A 115 -43.936 1.715 -2.086 1.00 15.52 C ATOM 1217 C TYR A 115 -45.259 1.591 -2.832 1.00 16.50 C ATOM 1218 O TYR A 115 -45.282 1.312 -4.027 1.00 17.88 O ATOM 1219 CB TYR A 115 -43.486 3.176 -2.197 1.00 13.82 C ATOM 1220 CG TYR A 115 -42.452 3.592 -1.189 1.00 14.28 C ATOM 1221 CD1 TYR A 115 -41.100 3.325 -1.394 1.00 13.62 C ATOM 1222 CD2 TYR A 115 -42.828 4.234 -0.012 1.00 15.68 C ATOM 1223 CE1 TYR A 115 -40.149 3.686 -0.447 1.00 13.58 C ATOM 1224 CE2 TYR A 115 -41.888 4.601 0.937 1.00 14.01 C ATOM 1225 CZ TYR A 115 -40.550 4.322 0.716 1.00 14.95 C ATOM 1226 OH TYR A 115 -39.623 4.668 1.673 1.00 17.14 O ATOM 1227 HH TYR A 115 -38.720 4.403 1.367 1.00 0.00 H ATOM 1228 H TYR A 115 -42.720 0.787 -3.613 1.00 0.00 H ATOM 1229 N GLY A 116 -46.357 1.825 -2.120 1.00 15.15 N ATOM 1230 CA GLY A 116 -47.665 1.766 -2.746 1.00 17.00 C ATOM 1231 C GLY A 116 -48.058 3.133 -3.275 1.00 18.47 C ATOM 1232 O GLY A 116 -49.131 3.249 -3.906 1.00 16.91 O ATOM 1233 OXT GLY A 116 -47.286 4.092 -3.059 1.00 17.79 O ATOM 1234 H GLY A 116 -46.278 2.052 -1.108 1.00 0.00 H TER 1235 GLY A 116 HETATM 1236 O HOH 6 -42.436 0.729 5.893 1.00 11.53 O HETATM 1237 O HOH 7 -27.735 29.335 -5.778 1.00 35.96 O HETATM 1238 O HOH 8 -40.521 5.378 3.833 1.00 21.89 O HETATM 1239 O HOH 9 -16.531 13.108 -14.942 1.00 36.38 O HETATM 1240 O HOH 10 -39.721 18.407 -15.353 1.00 34.00 O HETATM 1241 O HOH 11 -12.760 10.662 -13.838 1.00 40.27 O HETATM 1242 O HOH 12 -25.478 17.224 3.963 1.00 32.35 O HETATM 1243 O HOH 13 -37.771 14.306 -11.538 1.00 32.93 O HETATM 1244 O HOH 14 -19.094 30.254 -8.699 1.00 32.23 O HETATM 1245 O HOH 15 -26.886 1.643 -17.136 1.00 32.61 O HETATM 1246 O HOH 16 -43.865 20.137 -3.961 1.00 36.11 O HETATM 1247 O HOH 17 -41.485 16.582 -15.087 1.00 36.52 O HETATM 1248 O HOH 18 -26.491 1.709 10.640 1.00 36.20 O HETATM 1249 O HOH 19 -42.614 17.978 -4.095 1.00 35.86 O HETATM 1250 O HOH 20 -40.218 30.545 -5.569 1.00 20.75 O HETATM 1251 O HOH 21 -14.456 11.717 -12.155 1.00 40.74 O HETATM 1252 O HOH 22 -34.979 -1.947 5.014 1.00 34.43 O HETATM 1253 O HOH 23 -28.517 31.412 -6.847 1.00 36.52 O HETATM 1254 O HOH 24 -36.233 17.164 2.499 1.00 29.52 O HETATM 1255 O HOH 25 -19.430 11.105 -18.120 1.00 32.02 O HETATM 1256 O HOH 26 -24.336 9.741 -22.169 1.00 28.61 O HETATM 1257 O HOH 27 -34.086 14.966 5.460 1.00 33.74 O HETATM 1258 O HOH 28 -31.981 26.915 -6.064 1.00 30.80 O HETATM 1259 O HOH 29 -41.398 6.575 10.329 1.00 33.81 O HETATM 1260 O HOH 30 -39.664 -0.081 -6.152 1.00 15.29 O HETATM 1261 O HOH 31 -19.620 1.287 -9.654 1.00 35.01 O HETATM 1262 O HOH 32 -22.415 1.196 -0.475 1.00 33.59 O HETATM 1263 O HOH 33 -47.780 21.722 0.163 1.00 33.26 O HETATM 1264 O HOH 34 -17.637 5.746 -14.897 1.00 28.62 O HETATM 1265 O HOH 35 -43.382 8.137 -12.465 1.00 35.51 O HETATM 1266 O HOH 36 -27.359 27.842 -18.703 1.00 28.98 O HETATM 1267 O HOH 37 -38.968 15.633 -9.029 1.00 30.88 O HETATM 1268 O HOH 38 -36.068 0.380 -12.120 1.00 28.77 O HETATM 1269 O HOH 39 -34.425 30.910 -16.401 1.00 31.46 O HETATM 1270 O HOH 40 -22.656 3.146 -17.394 1.00 29.26 O HETATM 1271 O HOH 41 -17.770 15.437 -14.588 1.00 28.81 O HETATM 1272 O HOH 42 -42.827 4.553 -9.520 1.00 16.35 O HETATM 1273 O HOH 43 -30.842 6.266 -17.358 1.00 18.18 O HETATM 1274 O HOH 44 -31.765 16.242 1.869 1.00 19.31 O HETATM 1275 O HOH 45 -23.244 14.017 7.081 1.00 37.75 O HETATM 1276 O HOH 46 -35.838 11.861 -10.586 1.00 18.21 O HETATM 1277 O HOH 47 -26.547 13.064 8.061 1.00 31.32 O HETATM 1278 O HOH 48 -21.325 9.183 -18.301 1.00 22.52 O HETATM 1279 O HOH 49 -19.524 10.957 1.556 1.00 32.56 O HETATM 1280 O HOH 50 -32.172 10.509 -23.159 1.00 23.58 O HETATM 1281 O HOH 51 -27.988 -2.600 -9.940 1.00 26.52 O HETATM 1282 O HOH 52 -27.863 8.452 -20.593 1.00 12.54 O HETATM 1283 O HOH 53 -29.726 0.642 -7.174 1.00 20.66 O HETATM 1284 O HOH 54 -33.832 28.901 -19.739 1.00 33.74 O HETATM 1285 O HOH 55 -45.865 11.793 0.595 1.00 34.20 O HETATM 1286 O HOH 56 -29.693 26.543 -19.487 1.00 29.62 O HETATM 1287 O HOH 57 -31.148 0.805 6.562 1.00 20.78 O HETATM 1288 O HOH 58 -24.027 21.840 -13.912 1.00 23.12 O HETATM 1289 O HOH 59 -32.149 14.204 3.891 1.00 20.31 O HETATM 1290 O HOH 60 -40.894 5.987 -14.140 1.00 32.38 O HETATM 1291 O HOH 61 -46.464 5.073 -0.649 1.00 23.06 O HETATM 1292 O HOH 62 -28.465 22.022 -0.138 1.00 28.75 O HETATM 1293 O HOH 63 -25.671 15.375 6.741 1.00 34.56 O HETATM 1294 O HOH 64 -30.284 31.950 -14.519 1.00 34.08 O HETATM 1295 O HOH 65 -20.247 1.523 -14.987 1.00 26.84 O HETATM 1296 O HOH 66 -44.355 22.844 2.362 1.00 37.25 O HETATM 1297 O HOH 67 -29.075 6.672 8.182 1.00 13.64 O HETATM 1298 O HOH 68 -25.829 22.334 -0.759 1.00 25.14 O HETATM 1299 O HOH 69 -41.946 8.259 -14.599 1.00 37.55 O HETATM 1300 O HOH 70 -24.753 5.289 12.441 1.00 30.45 O HETATM 1301 O HOH 71 -38.343 12.988 4.362 1.00 36.08 O HETATM 1302 O HOH 72 -17.737 6.644 -3.836 1.00 26.81 O HETATM 1303 O HOH 73 -37.257 5.526 -15.678 1.00 34.07 O HETATM 1304 O HOH 74 -35.009 14.094 -12.073 1.00 10.19 O HETATM 1305 O HOH 75 -15.968 7.379 -11.161 1.00 38.62 O HETATM 1306 O HOH 76 -35.306 14.347 -18.912 1.00 28.84 O HETATM 1307 O HOH 77 -36.846 13.910 9.738 1.00 39.35 O HETATM 1308 O HOH 78 -25.299 14.274 -18.863 1.00 20.28 O HETATM 1309 O HOH 79 -30.595 15.334 -21.895 1.00 26.82 O HETATM 1310 O HOH 80 -17.590 29.001 -12.978 1.00 34.39 O HETATM 1311 O HOH 81 -40.243 8.168 -6.134 1.00 20.90 O HETATM 1312 O HOH 82 -46.094 1.957 0.655 1.00 33.51 O HETATM 1313 O HOH 83 -38.631 15.423 1.372 1.00 34.42 O HETATM 1314 O HOH 84 -31.890 5.039 11.407 1.00 15.88 O HETATM 1315 O HOH 85 -44.781 7.172 -0.308 1.00 18.83 O HETATM 1316 O HOH 86 -40.039 20.843 -12.158 1.00 34.91 O HETATM 1317 O HOH 87 -37.024 17.058 -18.551 1.00 32.87 O HETATM 1318 O HOH 88 -43.615 11.424 -5.828 1.00 27.73 O HETATM 1319 O HOH 89 -34.700 26.639 -0.983 1.00 35.12 O HETATM 1320 O HOH 90 -28.480 22.702 -13.763 1.00 25.24 O HETATM 1321 O HOH 91 -20.824 27.571 -19.628 1.00 34.48 O HETATM 1322 O HOH 92 -23.883 15.319 4.832 1.00 35.00 O HETATM 1323 O HOH 93 -45.389 3.796 -5.560 1.00 19.95 O HETATM 1324 O HOH 94 -32.680 -0.276 -12.953 1.00 28.80 O HETATM 1325 O HOH 95 -31.034 -2.412 6.995 1.00 32.49 O HETATM 1326 O HOH 96 -40.140 11.991 6.798 1.00 37.03 O HETATM 1327 O HOH 97 -39.330 4.285 5.309 1.00 34.49 O HETATM 1328 O HOH 98 -41.512 11.869 -7.009 1.00 33.19 O HETATM 1329 O HOH 99 -35.011 14.900 3.130 1.00 21.35 O HETATM 1330 O HOH 100 -22.612 14.622 -18.780 1.00 33.46 O HETATM 1331 O HOH 101 -30.280 3.093 -14.308 1.00 18.93 O HETATM 1332 O HOH 102 -33.467 31.427 -8.730 1.00 26.35 O HETATM 1333 O HOH 103 -42.050 1.076 -5.339 1.00 13.16 O HETATM 1334 O HOH 104 -20.045 7.704 8.211 1.00 32.19 O HETATM 1335 O HOH 105 -28.751 -1.777 0.482 1.00 34.21 O HETATM 1336 O HOH 106 -35.354 22.194 3.244 1.00 33.18 O HETATM 1337 O HOH 107 -35.599 9.112 -20.816 1.00 33.20 O HETATM 1338 O HOH 108 -28.719 13.923 -25.144 1.00 33.33 O HETATM 1339 O HOH 109 -21.683 32.144 -6.737 1.00 35.76 O HETATM 1340 O HOH 110 -40.695 -1.715 1.181 1.00 31.66 O HETATM 1341 O HOH 111 -37.680 9.557 -7.542 1.00 22.77 O HETATM 1342 O HOH 112 -31.401 12.724 11.161 1.00 21.05 O HETATM 1343 O HOH 113 -46.055 11.584 -5.937 1.00 25.67 O HETATM 1344 O HOH 114 -24.012 34.950 -11.931 1.00 39.29 O HETATM 1345 O HOH 115 -23.375 7.219 -22.171 1.00 28.86 O HETATM 1346 O HOH 116 -30.848 31.454 -9.355 1.00 29.71 O HETATM 1347 O HOH 117 -38.681 12.206 -13.211 1.00 33.43 O HETATM 1348 O HOH 118 -36.933 30.568 -15.333 1.00 24.77 O HETATM 1349 O HOH 119 -37.979 -2.744 1.617 1.00 27.19 O HETATM 1350 O HOH 120 -38.798 10.552 8.755 1.00 35.33 O HETATM 1351 O HOH 121 -16.185 10.235 -10.644 1.00 34.59 O HETATM 1352 O HOH 122 -20.596 11.303 10.426 1.00 39.15 O HETATM 1353 O HOH 123 -22.196 17.649 -17.746 1.00 35.41 O HETATM 1354 O HOH 124 -37.546 10.931 -17.123 1.00 25.05 O HETATM 1355 O HOH 125 -27.271 4.149 11.209 1.00 30.92 O HETATM 1356 O HOH 126 -43.171 12.300 -10.635 1.00 34.52 O HETATM 1357 O HOH 127 -43.227 29.004 -11.559 1.00 27.96 O HETATM 1358 O HOH 128 -43.092 1.138 2.178 1.00 35.50 O HETATM 1359 O HOH 129 -23.389 29.734 -7.975 1.00 32.24 O HETATM 1360 O HOH 130 -34.171 9.286 12.132 1.00 36.49 O HETATM 1361 O HOH 131 -30.961 5.371 -21.992 1.00 22.89 O HETATM 1362 O HOH 132 -43.636 32.332 -14.553 1.00 35.26 O HETATM 1363 O HOH 133 -28.297 5.255 -20.210 1.00 22.09 O HETATM 1364 O HOH 134 -13.341 16.967 -12.324 1.00 36.63 O HETATM 1365 O HOH 135 -40.740 33.079 -6.593 1.00 31.89 O HETATM 1366 O HOH 136 -43.950 7.413 2.374 1.00 31.93 O HETATM 1367 O HOH 137 -32.945 5.456 -19.775 1.00 26.84 O HETATM 1368 O HOH 138 -30.818 18.257 8.441 1.00 34.41 O HETATM 1369 O HOH 139 -34.841 18.122 -21.541 1.00 20.85 O HETATM 1370 O HOH 140 -27.131 5.299 13.616 1.00 25.01 O HETATM 1371 O HOH 141 -40.247 13.552 0.835 1.00 30.71 O HETATM 1372 O HOH 142 -36.770 14.365 5.538 1.00 34.18 O HETATM 1373 O HOH 143 -21.611 34.222 -12.366 1.00 37.09 O HETATM 1374 O HOH 144 -32.248 4.920 -15.091 1.00 30.11 O HETATM 1375 O HOH 145 -37.432 11.575 -8.919 1.00 36.29 O HETATM 1376 O HOH 146 -25.014 14.127 10.063 1.00 33.22 O HETATM 1377 O HOH 147 -20.708 3.715 -19.068 1.00 34.23 O HETATM 1378 O HOH 148 -28.634 26.668 -0.886 1.00 33.31 O HETATM 1379 O HOH 149 -42.102 21.424 -15.851 1.00 33.98 O HETATM 1380 O HOH 150 -33.120 19.809 -21.947 1.00 40.22 O HETATM 1381 O HOH 151 -44.228 28.067 -13.886 1.00 35.70 O HETATM 1382 O HOH 152 -33.933 5.292 -13.314 1.00 33.04 O HETATM 1383 O HOH 153 -30.319 23.113 0.773 1.00 34.96 O HETATM 1384 O HOH 154 -26.349 3.595 -20.586 1.00 32.42 O HETATM 1385 O HOH 155 -43.760 21.460 -6.025 1.00 33.52 O HETATM 1386 O HOH 156 -34.653 3.988 -16.625 1.00 32.69 O HETATM 1387 O HOH 157 -38.931 14.781 -16.352 1.00 34.42 O HETATM 1388 O HOH 158 -32.295 29.068 -4.531 1.00 34.30 O HETATM 1389 O HOH 159 -24.343 1.742 -18.279 1.00 34.75 O HETATM 1390 O HOH 160 -34.007 28.367 -6.194 1.00 34.30 O HETATM 1391 O HOH 161 -40.977 15.855 -17.425 1.00 34.77 O HETATM 1392 O HOH 162 -32.398 32.712 -16.044 1.00 33.12 O HETATM 1393 O HOH 163 -29.087 4.000 -18.112 1.00 21.81 O HETATM 1394 O HOH 164 -23.071 10.976 -20.010 1.00 34.88 O HETATM 1395 O HOH 165 -28.988 -1.923 -3.469 1.00 36.50 O HETATM 1396 O HOH 166 -28.647 17.489 -20.995 1.00 40.84 O HETATM 1397 O HOH 167 -31.007 20.742 -21.337 1.00 32.59 O HETATM 1398 O HOH 168 -36.444 28.820 -19.907 1.00 34.87 O HETATM 1399 O HOH 169 -29.578 4.485 9.851 1.00 20.78 O HETATM 1400 O HOH 170 -32.892 18.485 3.220 1.00 36.69 O HETATM 1401 O HOH 171 -49.046 1.778 0.994 1.00 33.72 O HETATM 1402 O HOH 172 -35.918 20.026 -20.145 1.00 34.51 O HETATM 1403 O HOH 173 -18.450 15.987 -17.761 1.00 33.30 O HETATM 1404 O HOH 174 -17.699 2.442 -4.661 1.00 35.40 O HETATM 1405 O HOH 175 -38.543 17.325 3.889 1.00 36.68 O HETATM 1406 O HOH 176 -45.546 21.801 4.381 1.00 34.48 O HETATM 1407 O HOH 177 -15.195 5.809 -15.978 1.00 33.07 O HETATM 1408 O HOH 178 -39.269 3.782 -15.609 1.00 34.17 O HETATM 1409 O HOH 179 -37.760 7.853 -19.891 1.00 33.99 O HETATM 1410 O HOH 180 -25.206 27.366 -20.522 1.00 32.42 O HETATM 1411 O HOH 181 -26.387 15.406 -20.820 1.00 34.32 O HETATM 1412 O HOH 182 -31.278 0.753 -16.051 1.00 36.13 O HETATM 1413 O HOH 183 -41.421 21.246 2.475 1.00 33.06 O HETATM 1414 O HOH 184 -32.010 3.368 -20.570 1.00 34.95 O HETATM 1415 O HOH 185 -47.006 4.016 1.752 1.00 35.64 O HETATM 1416 O HOH 186 -42.102 24.992 2.724 1.00 32.89 O HETATM 1417 O HOH 187 -19.062 0.521 -12.705 1.00 34.08 O HETATM 1418 O HOH 188 -18.499 3.458 -15.825 1.00 32.75 O HETATM 1419 O HOH 189 -35.700 32.094 -19.143 1.00 34.09 O HETATM 1420 O HOH 190 -34.350 33.756 -9.683 1.00 32.00 O HETATM 1421 O HOH 191 -33.391 31.609 -6.116 1.00 32.18 O HETATM 1422 O HOH 192 -16.316 4.436 -3.924 1.00 38.63 O HETATM 1423 O HOH 193 -34.539 17.853 6.024 1.00 32.99 O HETATM 1424 O HOH 194 -30.670 1.961 9.178 1.00 22.81 O HETATM 1425 O HOH 195 -31.845 3.287 -17.829 1.00 30.45 O HETATM 1426 O HOH 196 -39.289 28.723 2.512 1.00 39.63 O HETATM 1427 O HOH 197 -17.980 10.906 -20.197 1.00 35.32 O HETATM 1428 O HOH 198 -16.278 8.939 -4.987 1.00 35.08 O HETATM 1429 O HOH 199 -42.734 3.716 -13.730 1.00 39.56 O HETATM 1430 O HOH 200 -15.147 10.930 -8.339 1.00 34.32 O HETATM 1431 O HOH 201 -29.785 2.533 -21.746 1.00 33.12 O HETATM 1432 O HOH 202 -23.751 22.460 1.007 1.00 30.91 O HETATM 1433 O HOH 203 -17.538 20.647 -7.407 1.00 37.55 O HETATM 1434 O HOH 204 -21.739 20.013 4.385 1.00 35.77 O HETATM 1435 O HOH 205 -16.257 13.578 -2.206 1.00 38.10 O HETATM 1436 O HOH 206 -18.398 13.692 -5.549 1.00 26.87 O HETATM 1437 O HOH 207 -18.021 12.879 0.769 1.00 32.85 O HETATM 1438 O HOH 208 -15.189 15.341 -7.048 1.00 35.74 O HETATM 1439 O HOH 209 -23.512 18.584 4.036 1.00 33.47 O HETATM 1440 O HOH 210 -23.026 24.687 0.555 1.00 32.56 O HETATM 1441 O HOH 211 -16.420 11.921 -5.977 1.00 35.32 O HETATM 1442 O HOH 212 -13.577 16.218 -5.254 1.00 38.42 O HETATM 1443 N TRP A 213 -24.803 24.527 -2.594 1.00 0.24 N HETATM 1444 CA TRP A 213 -24.174 23.495 -3.461 1.00 0.07 C HETATM 1445 C TRP A 213 -22.802 23.087 -2.962 1.00 0.23 C HETATM 1446 O TRP A 213 -22.001 23.927 -2.562 1.00 -0.39 O HETATM 1447 N TRP A 213 -22.534 21.789 -2.992 1.00 -0.26 N HETATM 1448 CA TRP A 213 -21.234 21.278 -2.586 1.00 0.13 C HETATM 1449 C TRP A 213 -20.989 19.933 -3.234 1.00 0.20 C HETATM 1450 O TRP A 213 -21.930 19.221 -3.581 1.00 -0.39 O HETATM 1451 N TRP A 213 -19.717 19.602 -3.421 1.00 -0.26 N HETATM 1452 CA TRP A 213 -19.331 18.332 -4.013 1.00 0.13 C HETATM 1453 C TRP A 213 -19.789 17.233 -3.056 1.00 0.20 C HETATM 1454 O TRP A 213 -19.556 17.321 -1.850 1.00 -0.39 O HETATM 1455 N TRP A 213 -20.454 16.209 -3.586 1.00 -0.27 N HETATM 1456 CA TRP A 213 -20.929 15.110 -2.755 1.00 0.09 C HETATM 1457 C TRP A 213 -19.753 14.390 -2.110 1.00 0.06 C HETATM 1458 O TRP A 213 -19.817 14.132 -0.889 1.00 -0.57 O HETATM 1459 OXT TRP A 213 -18.790 14.080 -2.845 1.00 -0.57 O HETATM 1460 CB TRP A 213 -21.729 14.104 -3.585 1.00 -0.02 C HETATM 1461 CG TRP A 213 -22.270 12.924 -2.772 1.00 -0.04 C HETATM 1462 CD1 TRP A 213 -23.371 13.407 -1.840 1.00 -0.06 C HETATM 1463 H30 TRP A 213 -23.757 12.557 -1.258 1.00 0.02 H HETATM 1464 H31 TRP A 213 -24.187 13.846 -2.433 1.00 0.02 H HETATM 1465 H32 TRP A 213 -22.965 14.166 -1.155 1.00 0.02 H HETATM 1466 CD2 TRP A 213 -22.803 11.853 -3.708 1.00 -0.06 C HETATM 1467 H33 TRP A 213 -21.996 11.514 -4.375 1.00 0.02 H HETATM 1468 H34 TRP A 213 -23.626 12.268 -4.309 1.00 0.02 H HETATM 1469 H35 TRP A 213 -23.173 11.002 -3.118 1.00 0.02 H HETATM 1470 H29 TRP A 213 -21.454 12.498 -2.170 1.00 0.03 H HETATM 1471 H27 TRP A 213 -21.075 13.709 -4.376 1.00 0.03 H HETATM 1472 H28 TRP A 213 -22.580 14.630 -4.042 1.00 0.03 H HETATM 1473 H26 TRP A 213 -21.578 15.519 -1.966 1.00 0.07 H HETATM 1474 H25 TRP A 213 -20.631 16.194 -4.570 1.00 0.19 H HETATM 1475 CB TRP A 213 -17.810 18.295 -4.178 1.00 -0.00 C HETATM 1476 CG TRP A 213 -17.250 17.096 -4.924 1.00 0.00 C HETATM 1477 CD TRP A 213 -17.677 17.051 -6.378 1.00 0.04 C HETATM 1478 OE1 TRP A 213 -17.768 18.126 -7.009 1.00 -0.57 O HETATM 1479 OE2 TRP A 213 -17.905 15.936 -6.896 1.00 -0.57 O HETATM 1480 H23 TRP A 213 -17.600 16.179 -4.427 1.00 0.04 H HETATM 1481 H24 TRP A 213 -16.152 17.139 -4.882 1.00 0.04 H HETATM 1482 H21 TRP A 213 -17.362 18.305 -3.173 1.00 0.03 H HETATM 1483 H22 TRP A 213 -17.509 19.201 -4.723 1.00 0.03 H HETATM 1484 H20 TRP A 213 -19.813 18.205 -4.993 1.00 0.08 H HETATM 1485 H19 TRP A 213 -19.003 20.246 -3.146 1.00 0.19 H HETATM 1486 CB TRP A 213 -21.131 21.145 -1.063 1.00 -0.00 C HETATM 1487 CG TRP A 213 -22.045 20.114 -0.436 1.00 0.00 C HETATM 1488 CD TRP A 213 -21.736 19.896 1.038 1.00 0.04 C HETATM 1489 OE1 TRP A 213 -20.820 19.106 1.358 1.00 -0.57 O HETATM 1490 OE2 TRP A 213 -22.405 20.529 1.880 1.00 -0.57 O HETATM 1491 H17 TRP A 213 -21.922 19.160 -0.969 1.00 0.04 H HETATM 1492 H18 TRP A 213 -23.086 20.457 -0.533 1.00 0.04 H HETATM 1493 H15 TRP A 213 -21.370 22.123 -0.620 1.00 0.03 H HETATM 1494 H16 TRP A 213 -20.094 20.874 -0.816 1.00 0.03 H HETATM 1495 H14 TRP A 213 -20.461 21.982 -2.927 1.00 0.08 H HETATM 1496 H13 TRP A 213 -23.239 21.149 -3.299 1.00 0.19 H HETATM 1497 CB TRP A 213 -24.027 24.007 -4.898 1.00 0.02 C HETATM 1498 CG TRP A 213 -25.319 24.269 -5.578 1.00 -0.04 C HETATM 1499 CD1 TRP A 213 -25.947 25.472 -5.720 1.00 0.02 C HETATM 1500 NE1 TRP A 213 -27.153 25.304 -6.357 1.00 -0.29 N HETATM 1501 CE2 TRP A 213 -27.321 23.973 -6.639 1.00 0.06 C HETATM 1502 CD2 TRP A 213 -26.182 23.290 -6.160 1.00 -0.02 C HETATM 1503 CE3 TRP A 213 -26.103 21.899 -6.325 1.00 -0.07 C HETATM 1504 CZ3 TRP A 213 -27.155 21.240 -6.951 1.00 -0.08 C HETATM 1505 CH2 TRP A 213 -28.279 21.948 -7.416 1.00 -0.08 C HETATM 1506 CZ2 TRP A 213 -28.381 23.310 -7.269 1.00 -0.04 C HETATM 1507 H10 TRP A 213 -29.249 23.851 -7.627 1.00 0.05 H HETATM 1508 H12 TRP A 213 -29.083 21.406 -7.901 1.00 0.05 H HETATM 1509 H11 TRP A 213 -27.109 20.165 -7.083 1.00 0.05 H HETATM 1510 H9 TRP A 213 -25.239 21.349 -5.971 1.00 0.05 H HETATM 1511 H8 TRP A 213 -27.821 26.054 -6.585 1.00 0.22 H HETATM 1512 H7 TRP A 213 -25.550 26.427 -5.378 1.00 0.08 H HETATM 1513 H5 TRP A 213 -23.476 23.253 -5.480 1.00 0.04 H HETATM 1514 H6 TRP A 213 -23.452 24.944 -4.875 1.00 0.04 H HETATM 1515 H4 TRP A 213 -24.825 22.608 -3.464 1.00 0.11 H HETATM 1516 H1 TRP A 213 -25.710 24.767 -2.962 1.00 0.20 H HETATM 1517 H2 TRP A 213 -24.220 25.349 -2.573 1.00 0.20 H HETATM 1518 H3 TRP A 213 -24.905 24.164 -1.659 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1443 1444 1516 1517 1518 CONECT 1444 1443 1445 1497 1515 CONECT 1445 1444 1446 1447 CONECT 1446 1445 CONECT 1447 1445 1448 1496 CONECT 1448 1447 1449 1486 1495 CONECT 1449 1448 1450 1451 CONECT 1450 1449 CONECT 1451 1449 1452 1485 CONECT 1452 1451 1453 1475 1484 CONECT 1453 1452 1454 1455 CONECT 1454 1453 CONECT 1455 1453 1456 1474 CONECT 1456 1455 1457 1460 1473 CONECT 1457 1456 1458 1459 CONECT 1458 1457 CONECT 1459 1457 CONECT 1460 1456 1461 1471 1472 CONECT 1461 1460 1462 1466 1470 CONECT 1462 1461 1463 1464 1465 CONECT 1463 1462 CONECT 1464 1462 CONECT 1465 1462 CONECT 1466 1461 1467 1468 1469 CONECT 1467 1466 CONECT 1468 1466 CONECT 1469 1466 CONECT 1470 1461 CONECT 1471 1460 CONECT 1472 1460 CONECT 1473 1456 CONECT 1474 1455 CONECT 1475 1452 1476 1482 1483 CONECT 1476 1475 1477 1480 1481 CONECT 1477 1476 1478 1479 CONECT 1478 1477 CONECT 1479 1477 CONECT 1480 1476 CONECT 1481 1476 CONECT 1482 1475 CONECT 1483 1475 CONECT 1484 1452 CONECT 1485 1451 CONECT 1486 1448 1487 1493 1494 CONECT 1487 1486 1488 1491 1492 CONECT 1488 1487 1489 1490 CONECT 1489 1488 CONECT 1490 1488 CONECT 1491 1487 CONECT 1492 1487 CONECT 1493 1486 CONECT 1494 1486 CONECT 1495 1448 CONECT 1496 1447 CONECT 1497 1444 1498 1513 1514 CONECT 1498 1497 1499 1502 CONECT 1499 1498 1500 1512 CONECT 1500 1499 1501 1511 CONECT 1501 1500 1502 1506 CONECT 1502 1498 1501 1503 CONECT 1503 1502 1504 1510 CONECT 1504 1503 1505 1509 CONECT 1505 1504 1506 1508 CONECT 1506 1501 1505 1507 CONECT 1507 1506 CONECT 1508 1505 CONECT 1509 1504 CONECT 1510 1503 CONECT 1511 1500 CONECT 1512 1499 CONECT 1513 1497 CONECT 1514 1497 CONECT 1515 1444 CONECT 1516 1443 CONECT 1517 1443 CONECT 1518 1443 MASTER 0 0 0 0 0 0 0 0 1517 1 80 10 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: 5azf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5azg
RCSB PDB
PDBbind
119aa, >5AZG_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1a07
RCSB PDB
PDBbind
4-mer
1a08
RCSB PDB
PDBbind
4-mer
1a09
RCSB PDB
PDBbind
4-mer
1a1e
RCSB PDB
PDBbind
4-mer
1a2c
RCSB PDB
PDBbind
4-mer
1aq7
RCSB PDB
PDBbind
4-mer
1e5j
RCSB PDB
PDBbind
4-mer
1ez9
RCSB PDB
PDBbind
4-mer
1gvk
RCSB PDB
PDBbind
4-mer
1ibc
RCSB PDB
PDBbind
4-mer
1is0
RCSB PDB
PDBbind
4-mer
1jyq
RCSB PDB
PDBbind
4-mer
1lkk
RCSB PDB
PDBbind
4-mer
1lkl
RCSB PDB
PDBbind
4-mer
1m21
RCSB PDB
PDBbind
4-mer
1n51
RCSB PDB
PDBbind
4-mer
1pop
RCSB PDB
PDBbind
4-mer
1ppi
RCSB PDB
PDBbind
4-mer
1s3k
RCSB PDB
PDBbind
4-mer
1tl9
RCSB PDB
PDBbind
4-mer
1ukt
RCSB PDB
PDBbind
4-mer
1y3p
RCSB PDB
PDBbind
4-mer
2i3h
RCSB PDB
PDBbind
4-mer
2n7b
RCSB PDB
PDBbind
4-mer
2psx
RCSB PDB
PDBbind
4-mer
2vsl
RCSB PDB
PDBbind
4-mer
2x6w
RCSB PDB
PDBbind
4-mer
2x6y
RCSB PDB
PDBbind
4-mer
2x85
RCSB PDB
PDBbind
4-mer
2xe4
RCSB PDB
PDBbind
4-mer
3che
RCSB PDB
PDBbind
4-mer
3d3x
RCSB PDB
PDBbind
4-mer
3jzg
RCSB PDB
PDBbind
4-mer
3k0k
RCSB PDB
PDBbind
4-mer
3k16
RCSB PDB
PDBbind
4-mer
3mp6
RCSB PDB
PDBbind
4-mer
3nii
RCSB PDB
PDBbind
4-mer
3nij
RCSB PDB
PDBbind
4-mer
3nik
RCSB PDB
PDBbind
4-mer
3nil
RCSB PDB
PDBbind
4-mer
3nim
RCSB PDB
PDBbind
4-mer
3ny3
RCSB PDB
PDBbind
4-mer
3qmk
RCSB PDB
PDBbind
4-mer
3t1n
RCSB PDB
PDBbind
4-mer
3t4p
RCSB PDB
PDBbind
4-mer
3u3z
RCSB PDB
PDBbind
4-mer
3uec
RCSB PDB
PDBbind
4-mer
3ut5
RCSB PDB
PDBbind
4-mer
3uw4
RCSB PDB
PDBbind
4-mer
3uw5
RCSB PDB
PDBbind
4-mer
3zyb
RCSB PDB
PDBbind
4-mer
4b9h
RCSB PDB
PDBbind
4-mer
4c16
RCSB PDB
PDBbind
4-mer
4c1t
RCSB PDB
PDBbind
4-mer
4dxg
RCSB PDB
PDBbind
4-mer
4fgt
RCSB PDB
PDBbind
4-mer
4fzc
RCSB PDB
PDBbind
4-mer
4fzg
RCSB PDB
PDBbind
4-mer
4gk7
RCSB PDB
PDBbind
4-mer
4hp0
RCSB PDB
PDBbind
4-mer
4i67
RCSB PDB
PDBbind
4-mer
4imq
RCSB PDB
PDBbind
4-mer
4imz
RCSB PDB
PDBbind
4-mer
4in9
RCSB PDB
PDBbind
4-mer
4inh
RCSB PDB
PDBbind
4-mer
4j44
RCSB PDB
PDBbind
4-mer
4j45
RCSB PDB
PDBbind
4-mer
4j46
RCSB PDB
PDBbind
4-mer
4j47
RCSB PDB
PDBbind
4-mer
4j48
RCSB PDB
PDBbind
4-mer
4k63
RCSB PDB
PDBbind
4-mer
4k66
RCSB PDB
PDBbind
4-mer
4kom
RCSB PDB
PDBbind
4-mer
4kx8
RCSB PDB
PDBbind
4-mer
4lkd
RCSB PDB
PDBbind
4-mer
4lke
RCSB PDB
PDBbind
4-mer
4lkf
RCSB PDB
PDBbind
4-mer
4mbp
RCSB PDB
PDBbind
4-mer
4q4i
RCSB PDB
PDBbind
4-mer
4trw
RCSB PDB
PDBbind
4-mer
4trz
RCSB PDB
PDBbind
4-mer
4x0z
RCSB PDB
PDBbind
4-mer
4x14
RCSB PDB
PDBbind
4-mer
4z7n
RCSB PDB
PDBbind
4-mer
4z7o
RCSB PDB
PDBbind
4-mer
5ab1
RCSB PDB
PDBbind
4-mer
5ajc
RCSB PDB
PDBbind
4-mer
5btv
RCSB PDB
PDBbind
4-mer
5e6o
RCSB PDB
PDBbind
4-mer
5efj
RCSB PDB
PDBbind
4-mer
5f2u
RCSB PDB
PDBbind
4-mer
5f90
RCSB PDB
PDBbind
4-mer
5izj
RCSB PDB
PDBbind
4-mer
5jop
RCSB PDB
PDBbind
4-mer
5jy0
RCSB PDB
PDBbind
4-mer
5tdb
RCSB PDB
PDBbind
4-mer
5vi6
RCSB PDB
PDBbind
4-mer
5wxp
RCSB PDB
PDBbind
4-mer
5yzd
RCSB PDB
PDBbind
4-mer
5zmq
RCSB PDB
PDBbind
4-mer
5zms
RCSB PDB
PDBbind
4-mer
6cct
RCSB PDB
PDBbind
4-mer
6ccu
RCSB PDB
PDBbind
4-mer
6cd8
RCSB PDB
PDBbind
4-mer
6cd9
RCSB PDB
PDBbind
4-mer
6cdc
RCSB PDB
PDBbind
4-mer
6m8w
RCSB PDB
PDBbind
4-mer
6m8y
RCSB PDB
PDBbind
4-mer
6m9f
RCSB PDB
PDBbind
4-mer
6msy
RCSB PDB
PDBbind
4-mer
6mu3
RCSB PDB
PDBbind
4-mer
6pu3
RCSB PDB
PDBbind
4-mer
6prg
RCSB PDB
PDBbind
4-mer
6n3f
RCSB PDB
PDBbind
4-mer
6jjn
RCSB PDB
PDBbind
4-mer
6jjm
RCSB PDB
PDBbind
4-mer
6hop
RCSB PDB
PDBbind
4-mer
Entry Information
PDB ID
5azf
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Protein lgg-1
Ligand Name
4-mer
EC.Number
E.C.-.-.-.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=36.1uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Mol.Cell Vol. 60: pp. 914-929
Ligand Properties
Formula
C
2
7
H
3
8
N
5
O
9
Molecular Weight
576.619
Exact Mass
576.267
No. of atoms
79
No. of bonds
80
Polar Surface Area
242.63
LOGP Value
2.02 (
Computed with XLOGP3
)
0.81 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 17
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 2
Canonical SMILES
CC(C[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)[NH3+])CCC(=O)O)CCC(=O)O)C
InChI String
InChI=1S/C27H37N5O9/c1-14(2)11-21(27(40)41)32-26(39)20(8-10-23(35)36)31-25(38)19(7-9-22(33)34)30-24(37)17(28)12-15-13-29-18-6-4-3-5-16(15)18/h3-6,13-14,17,19-21,29H,7-12,28H2,1-2H3,(H,30,37)(H,31,38)(H,32,39)(H,33,34)(H,35,36)(H,40,41)/p+1/t17-,19-,20-,21-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q09490
Entrez Gene ID
NCBI Entrez Gene ID:
174050
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
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓