Browse entries in the PDBbind-CN Database
HEADER 6MO9_COMPLEX COMPND 6MO9_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 114 ARG VAL THR ASN GLN LEU GLN TYR LEU HIS LYS VAL VAL SEQRES 2 A 114 MET LYS ALA LEU TRP LYS HIS GLN PHE ALA TRP PRO PHE SEQRES 3 A 114 ARG GLN PRO VAL ASP ALA VAL LYS LEU GLY LEU PRO ASP SEQRES 4 A 114 TYR HIS LYS ILE ILE LYS GLN PRO MET ASP MET GLY THR SEQRES 5 A 114 ILE LYS ARG ARG LEU GLU ASN ASN TYR TYR TRP ALA ALA SEQRES 6 A 114 SER GLU CYS MET GLN ASP PHE ASN THR MET PHE THR ASN SEQRES 7 A 114 CYS TYR ILE TYR ASN LYS PRO THR ASP ASP ILE VAL LEU SEQRES 8 A 114 MET ALA GLN THR LEU GLU LYS ILE PHE LEU GLN LYS VAL SEQRES 9 A 114 ALA SER MET PRO GLN GLU GLU GLN GLU LEU HET JVY A 219 47 ATOM 1 N ARG A 74 105.002 -6.062 20.750 1.00 34.91 N ATOM 2 CA ARG A 74 105.390 -5.496 19.459 1.00 39.63 C ATOM 3 C ARG A 74 105.786 -4.026 19.567 1.00 50.82 C ATOM 4 O ARG A 74 105.250 -3.285 20.390 1.00 38.46 O ATOM 5 CB ARG A 74 104.243 -5.599 18.444 1.00 42.72 C ATOM 6 CG ARG A 74 103.978 -6.996 17.897 1.00 44.67 C ATOM 7 CD ARG A 74 103.107 -6.940 16.652 1.00 46.95 C ATOM 8 NE ARG A 74 101.893 -6.153 16.857 1.00 39.74 N ATOM 9 CZ ARG A 74 101.053 -5.808 15.884 1.00 44.72 C ATOM 10 NH1 ARG A 74 101.292 -6.185 14.633 1.00 55.11 N ATOM 11 NH2 ARG A 74 99.973 -5.085 16.156 1.00 40.11 N ATOM 12 HE ARG A 74 101.671 -5.843 17.825 1.00 0.00 H ATOM 13 HH12 ARG A 74 100.635 -5.915 13.874 1.00 0.00 H ATOM 14 HH11 ARG A 74 102.136 -6.751 14.413 1.00 0.00 H ATOM 15 HH22 ARG A 74 99.320 -4.818 15.392 1.00 0.00 H ATOM 16 HH21 ARG A 74 99.780 -4.786 17.133 1.00 0.00 H ATOM 17 HN3 ARG A 74 104.189 -5.535 21.128 1.00 0.00 H ATOM 18 HN2 ARG A 74 105.800 -5.991 21.413 1.00 0.00 H ATOM 19 HN1 ARG A 74 104.742 -7.061 20.625 1.00 0.00 H ATOM 20 N VAL A 75 106.722 -3.606 18.722 1.00 33.54 N ATOM 21 CA VAL A 75 106.895 -2.191 18.448 1.00 34.38 C ATOM 22 C VAL A 75 106.052 -1.868 17.221 1.00 39.72 C ATOM 23 O VAL A 75 106.198 -2.508 16.180 1.00 39.49 O ATOM 24 CB VAL A 75 108.357 -1.836 18.157 1.00 47.41 C ATOM 25 CG1 VAL A 75 108.460 -0.385 17.667 1.00 37.65 C ATOM 26 CG2 VAL A 75 109.222 -2.073 19.395 1.00 37.83 C ATOM 27 H VAL A 75 107.338 -4.299 18.251 1.00 0.00 H ATOM 28 N THR A 76 105.147 -0.905 17.345 1.00 26.03 N ATOM 29 CA THR A 76 104.369 -0.457 16.198 1.00 27.29 C ATOM 30 C THR A 76 104.438 1.058 16.095 1.00 25.95 C ATOM 31 O THR A 76 104.778 1.736 17.062 1.00 29.80 O ATOM 32 CB THR A 76 102.885 -0.871 16.282 1.00 32.42 C ATOM 33 OG1 THR A 76 102.220 -0.092 17.292 1.00 28.67 O ATOM 34 CG2 THR A 76 102.752 -2.354 16.593 1.00 33.03 C ATOM 35 HG1 THR A 76 101.269 -0.361 17.342 1.00 0.00 H ATOM 36 H THR A 76 104.991 -0.464 18.274 1.00 0.00 H ATOM 37 N ASN A 77 104.116 1.578 14.922 1.00 29.43 N ATOM 38 CA ASN A 77 104.055 3.017 14.707 1.00 27.67 C ATOM 39 C ASN A 77 103.075 3.706 15.661 1.00 33.78 C ATOM 40 O ASN A 77 103.343 4.794 16.183 1.00 27.46 O ATOM 41 CB ASN A 77 103.662 3.309 13.264 1.00 31.99 C ATOM 42 CG ASN A 77 102.325 2.680 12.877 1.00 32.72 C ATOM 43 OD1 ASN A 77 101.958 1.612 13.360 1.00 33.52 O ATOM 44 ND2 ASN A 77 101.605 3.344 12.003 1.00 30.73 N ATOM 45 HD22 ASN A 77 101.954 4.245 11.619 1.00 0.00 H ATOM 46 HD21 ASN A 77 100.685 2.969 11.694 1.00 0.00 H ATOM 47 H ASN A 77 103.900 0.940 14.130 1.00 0.00 H ATOM 48 N GLN A 78 101.939 3.061 15.894 1.00 27.45 N ATOM 49 CA GLN A 78 100.918 3.627 16.773 1.00 31.82 C ATOM 50 C GLN A 78 101.358 3.650 18.237 1.00 25.16 C ATOM 51 O GLN A 78 101.146 4.640 18.942 1.00 29.31 O ATOM 52 CB GLN A 78 99.601 2.861 16.625 1.00 25.03 C ATOM 53 CG GLN A 78 98.902 3.073 15.307 1.00 26.86 C ATOM 54 CD GLN A 78 97.543 2.397 15.286 1.00 30.51 C ATOM 55 OE1 GLN A 78 97.339 1.396 15.964 1.00 29.12 O ATOM 56 NE2 GLN A 78 96.606 2.955 14.531 1.00 31.77 N ATOM 57 HE22 GLN A 78 96.826 3.804 13.972 1.00 0.00 H ATOM 58 HE21 GLN A 78 95.652 2.543 14.498 1.00 0.00 H ATOM 59 H GLN A 78 101.773 2.138 15.444 1.00 0.00 H ATOM 60 N LEU A 79 101.948 2.553 18.698 1.00 21.97 N ATOM 61 CA LEU A 79 102.490 2.506 20.047 1.00 22.92 C ATOM 62 C LEU A 79 103.592 3.557 20.255 1.00 28.90 C ATOM 63 O LEU A 79 103.690 4.166 21.330 1.00 24.75 O ATOM 64 CB LEU A 79 102.981 1.091 20.382 1.00 21.45 C ATOM 65 CG LEU A 79 101.842 0.127 20.746 1.00 26.50 C ATOM 66 CD1 LEU A 79 102.255 -1.327 20.657 1.00 25.17 C ATOM 67 CD2 LEU A 79 101.334 0.449 22.164 1.00 28.95 C ATOM 68 H LEU A 79 102.024 1.716 18.086 1.00 0.00 H ATOM 69 N GLN A 80 104.419 3.781 19.236 1.00 26.38 N ATOM 70 CA GLN A 80 105.465 4.793 19.355 1.00 25.40 C ATOM 71 C GLN A 80 104.843 6.167 19.531 1.00 25.97 C ATOM 72 O GLN A 80 105.323 6.983 20.312 1.00 25.81 O ATOM 73 CB GLN A 80 106.376 4.801 18.122 1.00 25.18 C ATOM 74 CG GLN A 80 107.363 3.655 18.083 1.00 28.95 C ATOM 75 CD GLN A 80 108.224 3.670 16.827 1.00 29.96 C ATOM 76 OE1 GLN A 80 107.817 4.193 15.778 1.00 29.43 O ATOM 77 NE2 GLN A 80 109.414 3.092 16.923 1.00 29.14 N ATOM 78 HE22 GLN A 80 109.714 2.666 17.823 1.00 0.00 H ATOM 79 HE21 GLN A 80 110.047 3.065 16.098 1.00 0.00 H ATOM 80 H GLN A 80 104.320 3.236 18.356 1.00 0.00 H ATOM 81 N TYR A 81 103.771 6.410 18.790 1.00 27.39 N ATOM 82 CA TYR A 81 103.052 7.669 18.874 1.00 28.67 C ATOM 83 C TYR A 81 102.445 7.843 20.263 1.00 27.76 C ATOM 84 O TYR A 81 102.527 8.915 20.862 1.00 23.01 O ATOM 85 CB TYR A 81 101.957 7.708 17.817 1.00 22.80 C ATOM 86 CG TYR A 81 101.106 8.954 17.848 1.00 20.78 C ATOM 87 CD1 TYR A 81 101.415 10.051 17.059 1.00 28.32 C ATOM 88 CD2 TYR A 81 99.981 9.032 18.663 1.00 26.37 C ATOM 89 CE1 TYR A 81 100.635 11.194 17.078 1.00 28.57 C ATOM 90 CE2 TYR A 81 99.196 10.174 18.695 1.00 24.49 C ATOM 91 CZ TYR A 81 99.531 11.253 17.896 1.00 24.07 C ATOM 92 OH TYR A 81 98.758 12.390 17.902 1.00 27.58 O ATOM 93 HH TYR A 81 97.837 12.163 17.618 1.00 0.00 H ATOM 94 H TYR A 81 103.436 5.679 18.130 1.00 0.00 H ATOM 95 N LEU A 82 101.817 6.792 20.774 1.00 24.79 N ATOM 96 CA LEU A 82 101.240 6.884 22.112 1.00 21.81 C ATOM 97 C LEU A 82 102.316 7.181 23.144 1.00 30.88 C ATOM 98 O LEU A 82 102.075 7.889 24.119 1.00 24.80 O ATOM 99 CB LEU A 82 100.491 5.607 22.478 1.00 22.37 C ATOM 100 CG LEU A 82 99.204 5.378 21.695 1.00 25.55 C ATOM 101 CD1 LEU A 82 98.661 3.999 21.986 1.00 24.58 C ATOM 102 CD2 LEU A 82 98.172 6.463 22.021 1.00 29.00 C ATOM 103 H LEU A 82 101.737 5.911 20.227 1.00 0.00 H ATOM 104 N HIS A 83 103.511 6.649 22.926 1.00 26.45 N ATOM 105 CA HIS A 83 104.603 6.865 23.861 1.00 25.73 C ATOM 106 C HIS A 83 105.200 8.281 23.746 1.00 30.70 C ATOM 107 O HIS A 83 105.316 8.999 24.742 1.00 28.99 O ATOM 108 CB HIS A 83 105.684 5.806 23.648 1.00 29.23 C ATOM 109 CG HIS A 83 106.705 5.751 24.739 1.00 30.22 C ATOM 110 ND1 HIS A 83 107.680 4.778 24.797 1.00 33.31 N ATOM 111 CD2 HIS A 83 106.907 6.551 25.812 1.00 30.85 C ATOM 112 CE1 HIS A 83 108.437 4.980 25.859 1.00 40.44 C ATOM 113 NE2 HIS A 83 107.989 6.050 26.493 1.00 37.08 N ATOM 114 H HIS A 83 103.669 6.071 22.076 1.00 0.00 H ATOM 115 N LYS A 84 105.568 8.677 22.529 1.00 25.25 N ATOM 116 CA LYS A 84 106.317 9.925 22.295 1.00 22.93 C ATOM 117 C LYS A 84 105.465 11.188 22.192 1.00 28.80 C ATOM 118 O LYS A 84 105.982 12.308 22.306 1.00 27.44 O ATOM 119 CB LYS A 84 107.152 9.792 21.022 1.00 27.64 C ATOM 120 CG LYS A 84 108.143 8.645 21.064 1.00 40.23 C ATOM 121 CD LYS A 84 109.237 8.929 22.075 1.00 55.09 C ATOM 122 CE LYS A 84 109.857 7.646 22.600 1.00 48.71 C ATOM 123 NZ LYS A 84 110.571 7.902 23.885 1.00 59.44 N ATOM 124 HZ1 LYS A 84 111.323 8.603 23.729 1.00 0.00 H ATOM 125 HZ2 LYS A 84 109.897 8.266 24.588 1.00 0.00 H ATOM 126 HZ3 LYS A 84 110.989 7.015 24.231 1.00 0.00 H ATOM 127 H LYS A 84 105.318 8.083 21.713 1.00 0.00 H ATOM 128 N VAL A 85 104.169 11.022 21.949 1.00 21.77 N ATOM 129 CA VAL A 85 103.284 12.165 21.780 1.00 26.16 C ATOM 130 C VAL A 85 102.253 12.199 22.898 1.00 30.07 C ATOM 131 O VAL A 85 102.111 13.200 23.590 1.00 26.28 O ATOM 132 CB VAL A 85 102.555 12.156 20.409 1.00 25.91 C ATOM 133 CG1 VAL A 85 101.530 13.279 20.335 1.00 26.04 C ATOM 134 CG2 VAL A 85 103.563 12.271 19.256 1.00 28.04 C ATOM 135 H VAL A 85 103.781 10.060 21.878 1.00 0.00 H ATOM 136 N VAL A 86 101.544 11.096 23.089 1.00 22.46 N ATOM 137 CA VAL A 86 100.443 11.108 24.049 1.00 18.50 C ATOM 138 C VAL A 86 100.959 11.070 25.479 1.00 20.97 C ATOM 139 O VAL A 86 100.703 11.994 26.252 1.00 24.11 O ATOM 140 CB VAL A 86 99.437 9.976 23.794 1.00 22.77 C ATOM 141 CG1 VAL A 86 98.319 10.032 24.818 1.00 24.06 C ATOM 142 CG2 VAL A 86 98.861 10.106 22.387 1.00 19.59 C ATOM 143 H VAL A 86 101.769 10.229 22.560 1.00 0.00 H ATOM 144 N MET A 87 101.690 10.017 25.829 1.00 20.48 N ATOM 145 CA MET A 87 102.222 9.890 27.182 1.00 20.39 C ATOM 146 C MET A 87 103.154 11.052 27.529 1.00 25.75 C ATOM 147 O MET A 87 103.112 11.587 28.637 1.00 22.56 O ATOM 148 CB MET A 87 102.937 8.555 27.393 1.00 22.52 C ATOM 149 CG MET A 87 103.526 8.410 28.801 1.00 32.40 C ATOM 150 SD MET A 87 102.261 8.545 30.096 1.00 26.90 S ATOM 151 CE MET A 87 101.567 6.885 30.013 1.00 29.55 C ATOM 152 H MET A 87 101.886 9.273 25.129 1.00 0.00 H ATOM 153 N LYS A 88 103.987 11.459 26.577 1.00 28.69 N ATOM 154 CA LYS A 88 104.877 12.585 26.836 1.00 30.22 C ATOM 155 C LYS A 88 104.086 13.802 27.321 1.00 20.47 C ATOM 156 O LYS A 88 104.442 14.408 28.327 1.00 28.78 O ATOM 157 CB LYS A 88 105.725 12.927 25.604 1.00 33.34 C ATOM 158 CG LYS A 88 106.736 14.043 25.845 1.00 40.67 C ATOM 159 CD LYS A 88 108.004 13.841 25.023 1.00 52.43 C ATOM 160 CE LYS A 88 108.861 12.709 25.587 1.00 59.04 C ATOM 161 NZ LYS A 88 110.009 12.368 24.691 1.00 59.77 N ATOM 162 HZ1 LYS A 88 109.646 12.068 23.764 1.00 0.00 H ATOM 163 HZ2 LYS A 88 110.615 13.205 24.573 1.00 0.00 H ATOM 164 HZ3 LYS A 88 110.561 11.595 25.115 1.00 0.00 H ATOM 165 H LYS A 88 104.004 10.979 25.655 1.00 0.00 H ATOM 166 N ALA A 89 103.014 14.141 26.614 1.00 23.93 N ATOM 167 CA ALA A 89 102.179 15.294 26.956 1.00 26.35 C ATOM 168 C ALA A 89 101.462 15.130 28.295 1.00 30.76 C ATOM 169 O ALA A 89 101.424 16.057 29.099 1.00 25.16 O ATOM 170 CB ALA A 89 101.171 15.578 25.846 1.00 27.64 C ATOM 171 H ALA A 89 102.758 13.566 25.786 1.00 0.00 H ATOM 172 N LEU A 90 100.898 13.952 28.542 1.00 20.83 N ATOM 173 CA LEU A 90 100.161 13.736 29.785 1.00 21.98 C ATOM 174 C LEU A 90 101.042 13.655 31.021 1.00 18.16 C ATOM 175 O LEU A 90 100.698 14.199 32.064 1.00 20.58 O ATOM 176 CB LEU A 90 99.284 12.489 29.695 1.00 21.38 C ATOM 177 CG LEU A 90 98.165 12.530 28.661 1.00 25.79 C ATOM 178 CD1 LEU A 90 97.337 11.261 28.792 1.00 26.81 C ATOM 179 CD2 LEU A 90 97.291 13.754 28.848 1.00 27.41 C ATOM 180 H LEU A 90 100.982 13.182 27.848 1.00 0.00 H ATOM 181 N TRP A 91 102.185 12.980 30.906 1.00 22.11 N ATOM 182 CA TRP A 91 103.054 12.727 32.044 1.00 20.77 C ATOM 183 C TRP A 91 103.538 14.028 32.703 1.00 21.03 C ATOM 184 O TRP A 91 103.646 14.097 33.920 1.00 23.47 O ATOM 185 CB TRP A 91 104.258 11.871 31.626 1.00 21.00 C ATOM 186 CG TRP A 91 105.136 11.498 32.760 1.00 25.12 C ATOM 187 CD1 TRP A 91 106.317 12.088 33.114 1.00 29.18 C ATOM 188 CD2 TRP A 91 104.900 10.461 33.719 1.00 29.29 C ATOM 189 NE1 TRP A 91 106.839 11.470 34.223 1.00 28.18 N ATOM 190 CE2 TRP A 91 105.989 10.470 34.618 1.00 31.83 C ATOM 191 CE3 TRP A 91 103.885 9.514 33.897 1.00 25.93 C ATOM 192 CZ2 TRP A 91 106.088 9.577 35.682 1.00 28.20 C ATOM 193 CZ3 TRP A 91 103.982 8.626 34.959 1.00 24.42 C ATOM 194 CH2 TRP A 91 105.077 8.662 35.835 1.00 31.97 C ATOM 195 HE1 TRP A 91 107.735 11.720 34.688 1.00 0.00 H ATOM 196 H TRP A 91 102.465 12.622 29.971 1.00 0.00 H ATOM 197 N LYS A 92 103.813 15.046 31.892 1.00 24.70 N ATOM 198 CA LYS A 92 104.398 16.288 32.408 1.00 24.83 C ATOM 199 C LYS A 92 103.346 17.330 32.763 1.00 27.43 C ATOM 200 O LYS A 92 103.680 18.419 33.244 1.00 25.31 O ATOM 201 CB LYS A 92 105.364 16.888 31.383 1.00 29.18 C ATOM 202 CG LYS A 92 104.702 17.264 30.072 1.00 26.66 C ATOM 203 CD LYS A 92 105.680 17.949 29.123 1.00 39.84 C ATOM 204 CE LYS A 92 104.987 18.374 27.842 1.00 44.91 C ATOM 205 NZ LYS A 92 105.388 19.750 27.428 1.00 68.27 N ATOM 206 HZ1 LYS A 92 105.133 20.424 28.178 1.00 0.00 H ATOM 207 HZ2 LYS A 92 106.416 19.777 27.270 1.00 0.00 H ATOM 208 HZ3 LYS A 92 104.894 20.004 26.549 1.00 0.00 H ATOM 209 H LYS A 92 103.610 14.960 30.876 1.00 0.00 H ATOM 210 N HIS A 93 102.080 17.006 32.512 1.00 22.64 N ATOM 211 CA HIS A 93 100.984 17.929 32.777 1.00 20.06 C ATOM 212 C HIS A 93 100.881 18.264 34.264 1.00 20.43 C ATOM 213 O HIS A 93 101.137 17.429 35.122 1.00 19.29 O ATOM 214 CB HIS A 93 99.661 17.330 32.287 1.00 20.51 C ATOM 215 CG HIS A 93 98.541 18.318 32.202 1.00 18.41 C ATOM 216 ND1 HIS A 93 97.802 18.711 33.301 1.00 16.66 N ATOM 217 CD2 HIS A 93 98.029 18.991 31.145 1.00 20.15 C ATOM 218 CE1 HIS A 93 96.882 19.577 32.919 1.00 19.71 C ATOM 219 NE2 HIS A 93 96.999 19.765 31.615 1.00 23.92 N ATOM 220 H HIS A 93 101.867 16.068 32.116 1.00 0.00 H ATOM 221 N GLN A 94 100.495 19.499 34.562 1.00 17.21 N ATOM 222 CA GLN A 94 100.406 19.947 35.943 1.00 22.37 C ATOM 223 C GLN A 94 99.365 19.178 36.775 1.00 20.75 C ATOM 224 O GLN A 94 99.416 19.200 37.995 1.00 19.59 O ATOM 225 CB GLN A 94 100.104 21.449 35.979 1.00 21.00 C ATOM 226 CG GLN A 94 98.753 21.800 35.402 1.00 19.05 C ATOM 227 CD GLN A 94 98.196 23.092 35.971 1.00 33.71 C ATOM 228 OE1 GLN A 94 98.582 23.523 37.062 1.00 33.18 O ATOM 229 NE2 GLN A 94 97.270 23.712 35.241 1.00 30.37 N ATOM 230 HE22 GLN A 94 96.975 23.313 34.327 1.00 0.00 H ATOM 231 HE21 GLN A 94 96.842 24.595 35.585 1.00 0.00 H ATOM 232 H GLN A 94 100.252 20.158 33.795 1.00 0.00 H ATOM 233 N PHE A 95 98.431 18.498 36.114 1.00 17.93 N ATOM 234 CA PHE A 95 97.389 17.735 36.813 1.00 17.15 C ATOM 235 C PHE A 95 97.712 16.243 36.838 1.00 19.21 C ATOM 236 O PHE A 95 96.920 15.439 37.322 1.00 17.22 O ATOM 237 CB PHE A 95 96.010 17.906 36.161 1.00 17.27 C ATOM 238 CG PHE A 95 95.399 19.280 36.333 1.00 22.16 C ATOM 239 CD1 PHE A 95 95.871 20.157 37.292 1.00 22.19 C ATOM 240 CD2 PHE A 95 94.341 19.683 35.525 1.00 19.54 C ATOM 241 CE1 PHE A 95 95.297 21.418 37.436 1.00 25.86 C ATOM 242 CE2 PHE A 95 93.773 20.936 35.661 1.00 23.98 C ATOM 243 CZ PHE A 95 94.254 21.801 36.620 1.00 22.16 C ATOM 244 H PHE A 95 98.439 18.507 35.074 1.00 0.00 H ATOM 245 N ALA A 96 98.868 15.870 36.303 1.00 18.07 N ATOM 246 CA ALA A 96 99.208 14.460 36.155 1.00 22.15 C ATOM 247 C ALA A 96 99.591 13.795 37.465 1.00 17.75 C ATOM 248 O ALA A 96 99.456 12.565 37.609 1.00 17.76 O ATOM 249 CB ALA A 96 100.328 14.282 35.117 1.00 22.56 C ATOM 250 H ALA A 96 99.542 16.595 35.984 1.00 0.00 H ATOM 251 N TRP A 97 100.069 14.581 38.432 1.00 20.04 N ATOM 252 CA TRP A 97 100.681 13.969 39.609 1.00 20.05 C ATOM 253 C TRP A 97 99.837 12.904 40.349 1.00 18.80 C ATOM 254 O TRP A 97 100.388 11.889 40.780 1.00 20.41 O ATOM 255 CB TRP A 97 101.252 15.019 40.586 1.00 19.98 C ATOM 256 CG TRP A 97 100.220 15.899 41.207 1.00 23.86 C ATOM 257 CD1 TRP A 97 99.734 17.080 40.704 1.00 21.97 C ATOM 258 CD2 TRP A 97 99.530 15.672 42.440 1.00 22.91 C ATOM 259 NE1 TRP A 97 98.787 17.597 41.557 1.00 28.42 N ATOM 260 CE2 TRP A 97 98.640 16.751 42.625 1.00 28.10 C ATOM 261 CE3 TRP A 97 99.572 14.662 43.405 1.00 27.58 C ATOM 262 CZ2 TRP A 97 97.808 16.846 43.738 1.00 30.78 C ATOM 263 CZ3 TRP A 97 98.749 14.763 44.508 1.00 31.33 C ATOM 264 CH2 TRP A 97 97.877 15.843 44.664 1.00 35.20 C ATOM 265 HE1 TRP A 97 98.267 18.486 41.415 1.00 0.00 H ATOM 266 H TRP A 97 100.007 15.616 38.349 1.00 0.00 H ATOM 267 N PRO A 98 98.513 13.114 40.503 1.00 18.27 N ATOM 268 CA PRO A 98 97.798 12.032 41.197 1.00 18.87 C ATOM 269 C PRO A 98 97.724 10.729 40.408 1.00 20.21 C ATOM 270 O PRO A 98 97.342 9.710 40.998 1.00 19.81 O ATOM 271 CB PRO A 98 96.377 12.579 41.363 1.00 20.87 C ATOM 272 CG PRO A 98 96.482 14.060 41.108 1.00 17.72 C ATOM 273 CD PRO A 98 97.607 14.210 40.114 1.00 23.60 C ATOM 274 N PHE A 99 98.081 10.766 39.121 1.00 15.92 N ATOM 275 CA PHE A 99 97.880 9.628 38.232 1.00 19.04 C ATOM 276 C PHE A 99 99.198 8.966 37.842 1.00 21.12 C ATOM 277 O PHE A 99 99.200 8.022 37.068 1.00 20.01 O ATOM 278 CB PHE A 99 97.143 10.069 36.958 1.00 17.20 C ATOM 279 CG PHE A 99 95.791 10.679 37.217 1.00 20.11 C ATOM 280 CD1 PHE A 99 94.670 9.879 37.313 1.00 18.40 C ATOM 281 CD2 PHE A 99 95.649 12.053 37.370 1.00 16.97 C ATOM 282 CE1 PHE A 99 93.419 10.432 37.557 1.00 20.29 C ATOM 283 CE2 PHE A 99 94.402 12.605 37.603 1.00 21.73 C ATOM 284 CZ PHE A 99 93.288 11.790 37.700 1.00 18.15 C ATOM 285 H PHE A 99 98.515 11.632 38.742 1.00 0.00 H ATOM 286 N ARG A 100 100.311 9.458 38.381 1.00 18.72 N ATOM 287 CA ARG A 100 101.644 8.956 38.013 1.00 18.89 C ATOM 288 C ARG A 100 102.030 7.643 38.686 1.00 19.06 C ATOM 289 O ARG A 100 103.039 7.042 38.337 1.00 19.86 O ATOM 290 CB ARG A 100 102.724 9.996 38.319 1.00 19.40 C ATOM 291 CG ARG A 100 102.714 11.158 37.356 1.00 22.71 C ATOM 292 CD ARG A 100 103.932 12.024 37.595 1.00 27.92 C ATOM 293 NE ARG A 100 103.929 13.176 36.712 1.00 24.89 N ATOM 294 CZ ARG A 100 104.043 14.430 37.126 1.00 29.13 C ATOM 295 NH1 ARG A 100 104.184 14.692 38.420 1.00 37.89 N ATOM 296 NH2 ARG A 100 104.031 15.419 36.243 1.00 27.86 N ATOM 297 HE ARG A 100 103.831 13.007 35.691 1.00 0.00 H ATOM 298 HH12 ARG A 100 104.273 15.676 38.745 1.00 0.00 H ATOM 299 HH11 ARG A 100 104.205 13.913 39.109 1.00 0.00 H ATOM 300 HH22 ARG A 100 104.120 16.404 36.564 1.00 0.00 H ATOM 301 HH21 ARG A 100 103.932 15.210 35.229 1.00 0.00 H ATOM 302 H ARG A 100 100.236 10.221 39.084 1.00 0.00 H ATOM 303 N GLN A 101 101.241 7.215 39.657 1.00 20.11 N ATOM 304 CA GLN A 101 101.513 5.972 40.366 1.00 19.55 C ATOM 305 C GLN A 101 100.195 5.368 40.807 1.00 18.34 C ATOM 306 O GLN A 101 99.174 6.060 40.861 1.00 20.73 O ATOM 307 CB GLN A 101 102.411 6.215 41.587 1.00 24.38 C ATOM 308 CG GLN A 101 101.804 7.142 42.619 1.00 23.69 C ATOM 309 CD GLN A 101 101.727 8.579 42.123 1.00 28.92 C ATOM 310 OE1 GLN A 101 102.717 9.130 41.630 1.00 26.34 O ATOM 311 NE2 GLN A 101 100.546 9.183 42.229 1.00 19.98 N ATOM 312 HE22 GLN A 101 99.740 8.679 42.651 1.00 0.00 H ATOM 313 HE21 GLN A 101 100.429 10.159 41.889 1.00 0.00 H ATOM 314 H GLN A 101 100.408 7.779 39.920 1.00 0.00 H ATOM 315 N PRO A 102 100.198 4.070 41.116 1.00 18.26 N ATOM 316 CA PRO A 102 98.904 3.512 41.507 1.00 17.38 C ATOM 317 C PRO A 102 98.314 4.220 42.723 1.00 20.48 C ATOM 318 O PRO A 102 99.030 4.710 43.611 1.00 23.02 O ATOM 319 CB PRO A 102 99.233 2.040 41.829 1.00 19.58 C ATOM 320 CG PRO A 102 100.497 1.764 41.062 1.00 20.20 C ATOM 321 CD PRO A 102 101.267 3.060 41.107 1.00 20.64 C ATOM 322 N VAL A 103 96.990 4.270 42.756 1.00 19.03 N ATOM 323 CA VAL A 103 96.269 4.698 43.939 1.00 20.02 C ATOM 324 C VAL A 103 96.686 3.862 45.151 1.00 22.94 C ATOM 325 O VAL A 103 96.559 2.645 45.147 1.00 21.37 O ATOM 326 CB VAL A 103 94.752 4.545 43.735 1.00 23.70 C ATOM 327 CG1 VAL A 103 94.011 4.954 44.999 1.00 25.37 C ATOM 328 CG2 VAL A 103 94.280 5.385 42.518 1.00 18.82 C ATOM 329 H VAL A 103 96.453 3.994 41.909 1.00 0.00 H ATOM 330 N ASP A 104 97.178 4.526 46.185 1.00 22.94 N ATOM 331 CA ASP A 104 97.570 3.839 47.411 1.00 23.26 C ATOM 332 C ASP A 104 96.433 3.994 48.422 1.00 22.98 C ATOM 333 O ASP A 104 96.289 5.042 49.042 1.00 25.91 O ATOM 334 CB ASP A 104 98.870 4.454 47.939 1.00 26.67 C ATOM 335 CG ASP A 104 99.345 3.814 49.229 1.00 36.37 C ATOM 336 OD1 ASP A 104 98.538 3.141 49.900 1.00 24.94 O ATOM 337 OD2 ASP A 104 100.528 4.004 49.581 1.00 28.02 O ATOM 338 H ASP A 104 97.287 5.558 46.122 1.00 0.00 H ATOM 339 N ALA A 105 95.622 2.950 48.577 1.00 20.27 N ATOM 340 CA ALA A 105 94.409 3.029 49.400 1.00 21.13 C ATOM 341 C ALA A 105 94.685 3.208 50.893 1.00 29.86 C ATOM 342 O ALA A 105 93.862 3.751 51.639 1.00 29.11 O ATOM 343 CB ALA A 105 93.521 1.792 49.166 1.00 28.44 C ATOM 344 H ALA A 105 95.854 2.054 48.102 1.00 0.00 H ATOM 345 N VAL A 106 95.841 2.742 51.333 1.00 24.64 N ATOM 346 CA VAL A 106 96.210 2.893 52.735 1.00 25.89 C ATOM 347 C VAL A 106 96.568 4.350 52.977 1.00 24.91 C ATOM 348 O VAL A 106 96.056 4.992 53.896 1.00 28.86 O ATOM 349 CB VAL A 106 97.377 1.963 53.101 1.00 26.32 C ATOM 350 CG1 VAL A 106 97.779 2.163 54.555 1.00 27.83 C ATOM 351 CG2 VAL A 106 96.993 0.514 52.852 1.00 30.02 C ATOM 352 H VAL A 106 96.491 2.265 50.676 1.00 0.00 H ATOM 353 N LYS A 107 97.432 4.887 52.124 1.00 23.94 N ATOM 354 CA LYS A 107 97.821 6.281 52.219 1.00 23.31 C ATOM 355 C LYS A 107 96.628 7.219 52.161 1.00 29.63 C ATOM 356 O LYS A 107 96.556 8.195 52.904 1.00 27.21 O ATOM 357 CB LYS A 107 98.795 6.638 51.091 1.00 22.22 C ATOM 358 CG LYS A 107 99.242 8.087 51.120 1.00 26.18 C ATOM 359 CD LYS A 107 100.417 8.327 50.184 1.00 31.18 C ATOM 360 CE LYS A 107 99.951 8.734 48.804 1.00 44.57 C ATOM 361 NZ LYS A 107 101.085 9.243 47.982 1.00 50.66 N ATOM 362 HZ1 LYS A 107 101.506 10.072 48.449 1.00 0.00 H ATOM 363 HZ2 LYS A 107 101.803 8.497 47.884 1.00 0.00 H ATOM 364 HZ3 LYS A 107 100.735 9.514 47.041 1.00 0.00 H ATOM 365 H LYS A 107 97.839 4.295 51.372 1.00 0.00 H ATOM 366 N LEU A 108 95.691 6.930 51.263 1.00 26.55 N ATOM 367 CA LEU A 108 94.582 7.849 51.022 1.00 23.56 C ATOM 368 C LEU A 108 93.393 7.634 51.965 1.00 25.74 C ATOM 369 O LEU A 108 92.479 8.460 52.022 1.00 35.44 O ATOM 370 CB LEU A 108 94.144 7.769 49.557 1.00 20.99 C ATOM 371 CG LEU A 108 95.246 8.170 48.574 1.00 25.30 C ATOM 372 CD1 LEU A 108 94.759 8.078 47.120 1.00 21.71 C ATOM 373 CD2 LEU A 108 95.733 9.582 48.877 1.00 31.79 C ATOM 374 H LEU A 108 95.748 6.041 50.727 1.00 0.00 H ATOM 375 N GLY A 109 93.415 6.532 52.703 1.00 28.37 N ATOM 376 CA GLY A 109 92.355 6.212 53.643 1.00 36.30 C ATOM 377 C GLY A 109 91.079 5.739 52.973 1.00 39.29 C ATOM 378 O GLY A 109 89.989 6.198 53.321 1.00 38.03 O ATOM 379 H GLY A 109 94.216 5.876 52.605 1.00 0.00 H ATOM 380 N LEU A 110 91.221 4.813 52.022 1.00 26.29 N ATOM 381 CA LEU A 110 90.106 4.321 51.211 1.00 24.88 C ATOM 382 C LEU A 110 90.040 2.812 51.277 1.00 31.77 C ATOM 383 O LEU A 110 90.468 2.134 50.347 1.00 28.95 O ATOM 384 CB LEU A 110 90.292 4.740 49.752 1.00 30.82 C ATOM 385 CG LEU A 110 90.681 6.201 49.534 1.00 25.96 C ATOM 386 CD1 LEU A 110 91.003 6.487 48.070 1.00 32.29 C ATOM 387 CD2 LEU A 110 89.596 7.136 50.028 1.00 38.75 C ATOM 388 H LEU A 110 92.169 4.422 51.849 1.00 0.00 H ATOM 389 N PRO A 111 89.492 2.273 52.375 1.00 30.63 N ATOM 390 CA PRO A 111 89.485 0.821 52.561 1.00 29.19 C ATOM 391 C PRO A 111 88.614 0.089 51.549 1.00 30.10 C ATOM 392 O PRO A 111 88.767 -1.120 51.396 1.00 35.00 O ATOM 393 CB PRO A 111 88.921 0.649 53.978 1.00 43.98 C ATOM 394 CG PRO A 111 88.124 1.878 54.222 1.00 31.64 C ATOM 395 CD PRO A 111 88.844 2.983 53.490 1.00 39.14 C ATOM 396 N ASP A 112 87.720 0.796 50.862 1.00 31.23 N ATOM 397 CA ASP A 112 86.859 0.131 49.883 1.00 27.26 C ATOM 398 C ASP A 112 87.323 0.339 48.451 1.00 29.00 C ATOM 399 O ASP A 112 86.681 -0.139 47.516 1.00 26.02 O ATOM 400 CB ASP A 112 85.412 0.609 50.019 1.00 33.61 C ATOM 401 CG ASP A 112 85.222 2.044 49.550 1.00 38.10 C ATOM 402 OD1 ASP A 112 86.218 2.808 49.472 1.00 31.22 O ATOM 403 OD2 ASP A 112 84.065 2.412 49.264 1.00 40.05 O ATOM 404 H ASP A 112 87.633 1.820 51.021 1.00 0.00 H ATOM 405 N TYR A 113 88.425 1.062 48.263 1.00 30.27 N ATOM 406 CA TYR A 113 88.864 1.349 46.898 1.00 28.86 C ATOM 407 C TYR A 113 88.956 0.097 46.044 1.00 23.78 C ATOM 408 O TYR A 113 88.452 0.059 44.926 1.00 21.20 O ATOM 409 CB TYR A 113 90.196 2.108 46.845 1.00 21.13 C ATOM 410 CG TYR A 113 90.550 2.486 45.419 1.00 21.28 C ATOM 411 CD1 TYR A 113 89.987 3.612 44.822 1.00 18.52 C ATOM 412 CD2 TYR A 113 91.418 1.707 44.664 1.00 18.79 C ATOM 413 CE1 TYR A 113 90.289 3.957 43.503 1.00 15.57 C ATOM 414 CE2 TYR A 113 91.724 2.040 43.356 1.00 23.61 C ATOM 415 CZ TYR A 113 91.163 3.170 42.781 1.00 19.36 C ATOM 416 OH TYR A 113 91.467 3.493 41.473 1.00 19.42 O ATOM 417 HH TYR A 113 90.988 4.321 41.219 1.00 0.00 H ATOM 418 H TYR A 113 88.967 1.418 49.076 1.00 0.00 H ATOM 419 N HIS A 114 89.615 -0.933 46.554 1.00 24.63 N ATOM 420 CA HIS A 114 89.853 -2.120 45.747 1.00 25.13 C ATOM 421 C HIS A 114 88.646 -3.043 45.690 1.00 22.35 C ATOM 422 O HIS A 114 88.616 -3.995 44.906 1.00 26.16 O ATOM 423 CB HIS A 114 91.100 -2.852 46.239 1.00 28.59 C ATOM 424 CG HIS A 114 92.355 -2.080 45.999 1.00 26.45 C ATOM 425 ND1 HIS A 114 92.894 -1.924 44.742 1.00 26.15 N ATOM 426 CD2 HIS A 114 93.153 -1.382 46.841 1.00 25.89 C ATOM 427 CE1 HIS A 114 93.986 -1.185 44.821 1.00 23.97 C ATOM 428 NE2 HIS A 114 94.165 -0.844 46.084 1.00 27.69 N ATOM 429 H HIS A 114 89.963 -0.893 47.533 1.00 0.00 H ATOM 430 N LYS A 115 87.649 -2.746 46.513 1.00 27.56 N ATOM 431 CA LYS A 115 86.376 -3.451 46.426 1.00 26.78 C ATOM 432 C LYS A 115 85.560 -2.913 45.255 1.00 30.82 C ATOM 433 O LYS A 115 84.854 -3.661 44.577 1.00 36.06 O ATOM 434 CB LYS A 115 85.597 -3.325 47.734 1.00 35.77 C ATOM 435 CG LYS A 115 86.085 -4.278 48.834 1.00 30.24 C ATOM 436 CD LYS A 115 86.463 -3.511 50.084 1.00 41.26 C ATOM 437 CE LYS A 115 86.851 -4.442 51.230 1.00 35.25 C ATOM 438 NZ LYS A 115 85.674 -4.821 52.060 1.00 37.98 N ATOM 439 HZ1 LYS A 115 85.247 -3.964 52.466 1.00 0.00 H ATOM 440 HZ2 LYS A 115 84.975 -5.310 51.465 1.00 0.00 H ATOM 441 HZ3 LYS A 115 85.981 -5.453 52.826 1.00 0.00 H ATOM 442 H LYS A 115 87.777 -2.002 47.228 1.00 0.00 H ATOM 443 N ILE A 116 85.683 -1.612 45.009 1.00 21.59 N ATOM 444 CA ILE A 116 84.928 -0.957 43.944 1.00 19.19 C ATOM 445 C ILE A 116 85.681 -0.990 42.612 1.00 18.31 C ATOM 446 O ILE A 116 85.108 -1.288 41.564 1.00 19.69 O ATOM 447 CB ILE A 116 84.594 0.495 44.365 1.00 22.01 C ATOM 448 CG1 ILE A 116 83.641 0.464 45.561 1.00 27.14 C ATOM 449 CG2 ILE A 116 83.992 1.295 43.206 1.00 19.40 C ATOM 450 CD1 ILE A 116 83.304 1.803 46.106 1.00 29.96 C ATOM 451 H ILE A 116 86.334 -1.046 45.590 1.00 0.00 H ATOM 452 N ILE A 117 86.975 -0.692 42.657 1.00 22.95 N ATOM 453 CA ILE A 117 87.793 -0.685 41.442 1.00 16.88 C ATOM 454 C ILE A 117 88.561 -2.005 41.321 1.00 19.00 C ATOM 455 O ILE A 117 89.485 -2.263 42.088 1.00 24.31 O ATOM 456 CB ILE A 117 88.770 0.502 41.449 1.00 18.80 C ATOM 457 CG1 ILE A 117 87.976 1.810 41.494 1.00 15.67 C ATOM 458 CG2 ILE A 117 89.666 0.464 40.209 1.00 18.47 C ATOM 459 CD1 ILE A 117 86.954 1.920 40.359 1.00 16.75 C ATOM 460 H ILE A 117 87.415 -0.460 43.570 1.00 0.00 H ATOM 461 N LYS A 118 88.156 -2.836 40.365 1.00 21.03 N ATOM 462 CA LYS A 118 88.713 -4.189 40.250 1.00 22.81 C ATOM 463 C LYS A 118 89.969 -4.240 39.393 1.00 21.54 C ATOM 464 O LYS A 118 90.760 -5.173 39.505 1.00 23.25 O ATOM 465 CB LYS A 118 87.671 -5.167 39.697 1.00 30.64 C ATOM 466 CG LYS A 118 86.422 -5.324 40.563 1.00 29.11 C ATOM 467 CD LYS A 118 86.734 -5.087 42.034 1.00 32.42 C ATOM 468 CE LYS A 118 86.665 -6.360 42.865 1.00 39.37 C ATOM 469 NZ LYS A 118 87.172 -6.122 44.248 1.00 36.82 N ATOM 470 HZ1 LYS A 118 88.161 -5.805 44.203 1.00 0.00 H ATOM 471 HZ2 LYS A 118 86.592 -5.391 44.707 1.00 0.00 H ATOM 472 HZ3 LYS A 118 87.114 -7.005 44.794 1.00 0.00 H ATOM 473 H LYS A 118 87.432 -2.522 39.687 1.00 0.00 H ATOM 474 N GLN A 119 90.143 -3.246 38.519 1.00 19.56 N ATOM 475 CA GLN A 119 91.348 -3.170 37.701 1.00 14.65 C ATOM 476 C GLN A 119 91.992 -1.799 37.810 1.00 17.75 C ATOM 477 O GLN A 119 91.743 -0.942 36.954 1.00 16.68 O ATOM 478 CB GLN A 119 91.046 -3.453 36.224 1.00 20.36 C ATOM 479 CG GLN A 119 92.341 -3.639 35.422 1.00 28.05 C ATOM 480 CD GLN A 119 92.150 -3.567 33.908 1.00 34.59 C ATOM 481 OE1 GLN A 119 91.024 -3.587 33.399 1.00 37.97 O ATOM 482 NE2 GLN A 119 93.258 -3.508 33.188 1.00 31.92 N ATOM 483 HE22 GLN A 119 94.185 -3.493 33.660 1.00 0.00 H ATOM 484 HE21 GLN A 119 93.203 -3.476 32.150 1.00 0.00 H ATOM 485 H GLN A 119 89.409 -2.516 38.420 1.00 0.00 H ATOM 486 N PRO A 120 92.829 -1.593 38.837 1.00 19.36 N ATOM 487 CA PRO A 120 93.512 -0.301 38.995 1.00 17.48 C ATOM 488 C PRO A 120 94.446 -0.067 37.823 1.00 21.04 C ATOM 489 O PRO A 120 94.982 -1.019 37.241 1.00 16.88 O ATOM 490 CB PRO A 120 94.333 -0.485 40.281 1.00 18.91 C ATOM 491 CG PRO A 120 93.647 -1.616 41.022 1.00 28.55 C ATOM 492 CD PRO A 120 93.128 -2.520 39.944 1.00 21.68 C ATOM 493 N MET A 121 94.631 1.193 37.462 1.00 15.66 N ATOM 494 CA MET A 121 95.565 1.538 36.405 1.00 12.34 C ATOM 495 C MET A 121 96.066 2.966 36.660 1.00 18.00 C ATOM 496 O MET A 121 95.371 3.780 37.273 1.00 17.88 O ATOM 497 CB MET A 121 94.866 1.438 35.036 1.00 12.99 C ATOM 498 CG MET A 121 95.761 1.608 33.811 1.00 19.24 C ATOM 499 SD MET A 121 97.268 0.601 33.792 1.00 21.84 S ATOM 500 CE MET A 121 96.589 -1.045 33.996 1.00 21.25 C ATOM 501 H MET A 121 94.100 1.947 37.942 1.00 0.00 H ATOM 502 N ASP A 122 97.267 3.264 36.179 1.00 16.43 N ATOM 503 CA ASP A 122 97.870 4.575 36.401 1.00 17.51 C ATOM 504 C ASP A 122 98.882 4.815 35.290 1.00 21.09 C ATOM 505 O ASP A 122 99.258 3.885 34.581 1.00 20.75 O ATOM 506 CB ASP A 122 98.574 4.613 37.765 1.00 17.18 C ATOM 507 CG ASP A 122 99.747 3.654 37.833 1.00 21.80 C ATOM 508 OD1 ASP A 122 99.506 2.448 38.017 1.00 20.61 O ATOM 509 OD2 ASP A 122 100.901 4.097 37.675 1.00 20.55 O ATOM 510 H ASP A 122 97.789 2.549 35.633 1.00 0.00 H ATOM 511 N MET A 123 99.334 6.053 35.144 1.00 18.74 N ATOM 512 CA MET A 123 100.216 6.378 34.031 1.00 20.52 C ATOM 513 C MET A 123 101.643 5.847 34.211 1.00 19.96 C ATOM 514 O MET A 123 102.371 5.685 33.233 1.00 17.90 O ATOM 515 CB MET A 123 100.226 7.883 33.761 1.00 17.03 C ATOM 516 CG MET A 123 98.904 8.412 33.243 1.00 12.66 C ATOM 517 SD MET A 123 99.115 9.996 32.424 1.00 22.09 S ATOM 518 CE MET A 123 100.114 10.862 33.627 1.00 18.93 C ATOM 519 H MET A 123 99.059 6.791 35.823 1.00 0.00 H ATOM 520 N GLY A 124 102.033 5.580 35.450 1.00 19.39 N ATOM 521 CA GLY A 124 103.329 4.975 35.729 1.00 25.01 C ATOM 522 C GLY A 124 103.412 3.583 35.130 1.00 28.79 C ATOM 523 O GLY A 124 104.400 3.207 34.496 1.00 25.36 O ATOM 524 H GLY A 124 101.398 5.808 36.242 1.00 0.00 H ATOM 525 N THR A 125 102.339 2.826 35.318 1.00 19.14 N ATOM 526 CA THR A 125 102.224 1.473 34.792 1.00 26.04 C ATOM 527 C THR A 125 102.181 1.468 33.261 1.00 26.87 C ATOM 528 O THR A 125 102.821 0.650 32.598 1.00 25.81 O ATOM 529 CB THR A 125 100.959 0.813 35.362 1.00 25.20 C ATOM 530 OG1 THR A 125 101.108 0.676 36.779 1.00 23.88 O ATOM 531 CG2 THR A 125 100.711 -0.571 34.715 1.00 23.09 C ATOM 532 HG1 THR A 125 101.232 1.571 37.185 1.00 0.00 H ATOM 533 H THR A 125 101.545 3.216 35.865 1.00 0.00 H ATOM 534 N ILE A 126 101.427 2.401 32.698 1.00 19.81 N ATOM 535 CA ILE A 126 101.304 2.515 31.258 1.00 22.76 C ATOM 536 C ILE A 126 102.659 2.910 30.646 1.00 22.68 C ATOM 537 O ILE A 126 103.075 2.353 29.634 1.00 22.81 O ATOM 538 CB ILE A 126 100.201 3.532 30.891 1.00 21.14 C ATOM 539 CG1 ILE A 126 98.846 3.025 31.386 1.00 17.37 C ATOM 540 CG2 ILE A 126 100.140 3.773 29.377 1.00 17.64 C ATOM 541 CD1 ILE A 126 97.690 4.016 31.155 1.00 18.72 C ATOM 542 H ILE A 126 100.910 3.069 33.305 1.00 0.00 H ATOM 543 N LYS A 127 103.340 3.858 31.272 1.00 25.27 N ATOM 544 CA LYS A 127 104.645 4.310 30.783 1.00 23.03 C ATOM 545 C LYS A 127 105.640 3.159 30.759 1.00 25.25 C ATOM 546 O LYS A 127 106.355 2.960 29.774 1.00 27.21 O ATOM 547 CB LYS A 127 105.181 5.439 31.664 1.00 28.73 C ATOM 548 CG LYS A 127 106.470 6.060 31.155 1.00 29.96 C ATOM 549 CD LYS A 127 106.740 7.391 31.841 1.00 33.65 C ATOM 550 CE LYS A 127 107.490 7.191 33.136 1.00 46.28 C ATOM 551 NZ LYS A 127 108.907 6.760 32.911 1.00 55.68 N ATOM 552 HZ1 LYS A 127 108.916 5.860 32.390 1.00 0.00 H ATOM 553 HZ2 LYS A 127 109.405 7.486 32.358 1.00 0.00 H ATOM 554 HZ3 LYS A 127 109.380 6.636 33.829 1.00 0.00 H ATOM 555 H LYS A 127 102.940 4.291 32.129 1.00 0.00 H ATOM 556 N ARG A 128 105.678 2.399 31.844 1.00 27.25 N ATOM 557 CA ARG A 128 106.569 1.255 31.931 1.00 33.62 C ATOM 558 C ARG A 128 106.242 0.228 30.852 1.00 34.83 C ATOM 559 O ARG A 128 107.147 -0.308 30.210 1.00 37.23 O ATOM 560 CB ARG A 128 106.504 0.626 33.322 1.00 27.91 C ATOM 561 CG ARG A 128 107.546 -0.449 33.563 1.00 54.45 C ATOM 562 CD ARG A 128 107.659 -0.804 35.041 1.00 67.62 C ATOM 563 NE ARG A 128 106.405 -1.317 35.588 1.00 66.60 N ATOM 564 CZ ARG A 128 105.574 -0.609 36.349 1.00 65.05 C ATOM 565 NH1 ARG A 128 105.861 0.650 36.664 1.00 56.56 N ATOM 566 NH2 ARG A 128 104.454 -1.164 36.799 1.00 55.03 N ATOM 567 HE ARG A 128 106.145 -2.300 35.368 1.00 0.00 H ATOM 568 HH12 ARG A 128 105.208 1.199 37.259 1.00 0.00 H ATOM 569 HH11 ARG A 128 106.738 1.086 36.315 1.00 0.00 H ATOM 570 HH22 ARG A 128 103.803 -0.613 37.394 1.00 0.00 H ATOM 571 HH21 ARG A 128 104.228 -2.150 36.556 1.00 0.00 H ATOM 572 H ARG A 128 105.059 2.626 32.648 1.00 0.00 H ATOM 573 N ARG A 129 104.956 -0.039 30.641 1.00 27.72 N ATOM 574 CA ARG A 129 104.537 -0.964 29.583 1.00 27.47 C ATOM 575 C ARG A 129 104.945 -0.506 28.177 1.00 34.47 C ATOM 576 O ARG A 129 105.319 -1.317 27.322 1.00 32.43 O ATOM 577 CB ARG A 129 103.029 -1.231 29.664 1.00 24.23 C ATOM 578 CG ARG A 129 102.639 -2.000 30.922 1.00 23.86 C ATOM 579 CD ARG A 129 101.127 -2.054 31.139 1.00 30.27 C ATOM 580 NE ARG A 129 100.796 -3.033 32.173 1.00 25.23 N ATOM 581 CZ ARG A 129 99.583 -3.546 32.376 1.00 25.23 C ATOM 582 NH1 ARG A 129 98.553 -3.177 31.631 1.00 23.81 N ATOM 583 NH2 ARG A 129 99.402 -4.448 33.335 1.00 34.68 N ATOM 584 HE ARG A 129 101.564 -3.353 32.797 1.00 0.00 H ATOM 585 HH12 ARG A 129 97.613 -3.588 31.803 1.00 0.00 H ATOM 586 HH11 ARG A 129 98.684 -2.477 30.873 1.00 0.00 H ATOM 587 HH22 ARG A 129 98.457 -4.852 33.498 1.00 0.00 H ATOM 588 HH21 ARG A 129 100.205 -4.750 33.923 1.00 0.00 H ATOM 589 H ARG A 129 104.235 0.416 31.237 1.00 0.00 H ATOM 590 N LEU A 130 104.862 0.795 27.934 1.00 29.08 N ATOM 591 CA LEU A 130 105.360 1.353 26.691 1.00 33.17 C ATOM 592 C LEU A 130 106.882 1.193 26.601 1.00 34.12 C ATOM 593 O LEU A 130 107.410 0.781 25.572 1.00 32.88 O ATOM 594 CB LEU A 130 104.965 2.825 26.579 1.00 26.02 C ATOM 595 CG LEU A 130 103.474 3.074 26.317 1.00 26.23 C ATOM 596 CD1 LEU A 130 103.105 4.537 26.605 1.00 25.70 C ATOM 597 CD2 LEU A 130 103.085 2.679 24.904 1.00 21.80 C ATOM 598 H LEU A 130 104.434 1.423 28.644 1.00 0.00 H ATOM 599 N GLU A 131 107.576 1.496 27.692 1.00 30.17 N ATOM 600 CA GLU A 131 109.039 1.463 27.696 1.00 32.44 C ATOM 601 C GLU A 131 109.575 0.051 27.487 1.00 48.09 C ATOM 602 O GLU A 131 110.638 -0.137 26.888 1.00 45.21 O ATOM 603 CB GLU A 131 109.582 2.040 29.000 1.00 36.31 C ATOM 604 CG GLU A 131 109.439 3.552 29.116 1.00 33.80 C ATOM 605 CD GLU A 131 109.769 4.071 30.509 1.00 38.10 C ATOM 606 OE1 GLU A 131 109.874 3.255 31.450 1.00 38.46 O ATOM 607 OE2 GLU A 131 109.921 5.303 30.665 1.00 42.93 O ATOM 608 H GLU A 131 107.070 1.762 28.561 1.00 0.00 H ATOM 609 N ASN A 132 108.829 -0.936 27.974 1.00 34.28 N ATOM 610 CA ASN A 132 109.266 -2.327 27.936 1.00 35.18 C ATOM 611 C ASN A 132 108.621 -3.155 26.838 1.00 35.25 C ATOM 612 O ASN A 132 108.705 -4.378 26.861 1.00 33.95 O ATOM 613 CB ASN A 132 109.009 -3.001 29.286 1.00 37.33 C ATOM 614 CG ASN A 132 109.767 -2.345 30.418 1.00 43.32 C ATOM 615 OD1 ASN A 132 110.846 -1.789 30.220 1.00 60.41 O ATOM 616 ND2 ASN A 132 109.208 -2.412 31.620 1.00 49.39 N ATOM 617 HD22 ASN A 132 108.294 -2.892 31.742 1.00 0.00 H ATOM 618 HD21 ASN A 132 109.684 -1.984 32.440 1.00 0.00 H ATOM 619 H ASN A 132 107.905 -0.709 28.395 1.00 0.00 H ATOM 620 N ASN A 133 107.959 -2.492 25.896 1.00 30.41 N ATOM 621 CA ASN A 133 107.314 -3.163 24.768 1.00 36.55 C ATOM 622 C ASN A 133 106.334 -4.255 25.192 1.00 43.28 C ATOM 623 O ASN A 133 106.333 -5.363 24.644 1.00 37.69 O ATOM 624 CB ASN A 133 108.367 -3.726 23.810 1.00 44.85 C ATOM 625 CG ASN A 133 109.247 -2.644 23.217 1.00 44.66 C ATOM 626 OD1 ASN A 133 108.753 -1.648 22.685 1.00 43.60 O ATOM 627 ND2 ASN A 133 110.558 -2.825 23.320 1.00 50.71 N ATOM 628 HD22 ASN A 133 110.930 -3.682 23.777 1.00 0.00 H ATOM 629 HD21 ASN A 133 111.213 -2.110 22.943 1.00 0.00 H ATOM 630 H ASN A 133 107.897 -1.456 25.963 1.00 0.00 H ATOM 631 N TYR A 134 105.493 -3.924 26.165 1.00 32.19 N ATOM 632 CA TYR A 134 104.539 -4.866 26.729 1.00 29.37 C ATOM 633 C TYR A 134 103.321 -5.043 25.831 1.00 30.39 C ATOM 634 O TYR A 134 102.771 -6.145 25.711 1.00 35.59 O ATOM 635 CB TYR A 134 104.122 -4.397 28.131 1.00 33.66 C ATOM 636 CG TYR A 134 102.907 -5.098 28.694 1.00 35.10 C ATOM 637 CD1 TYR A 134 101.640 -4.542 28.557 1.00 31.33 C ATOM 638 CD2 TYR A 134 103.026 -6.307 29.370 1.00 40.21 C ATOM 639 CE1 TYR A 134 100.523 -5.172 29.075 1.00 35.29 C ATOM 640 CE2 TYR A 134 101.913 -6.946 29.892 1.00 45.24 C ATOM 641 CZ TYR A 134 100.664 -6.371 29.741 1.00 36.06 C ATOM 642 OH TYR A 134 99.548 -6.994 30.254 1.00 47.69 O ATOM 643 HH TYR A 134 98.746 -6.448 30.056 1.00 0.00 H ATOM 644 H TYR A 134 105.517 -2.954 26.538 1.00 0.00 H ATOM 645 N TYR A 135 102.905 -3.955 25.194 1.00 25.88 N ATOM 646 CA TYR A 135 101.710 -3.961 24.372 1.00 24.57 C ATOM 647 C TYR A 135 101.946 -4.587 23.006 1.00 37.32 C ATOM 648 O TYR A 135 103.005 -4.407 22.408 1.00 37.13 O ATOM 649 CB TYR A 135 101.219 -2.540 24.160 1.00 26.53 C ATOM 650 CG TYR A 135 100.782 -1.839 25.417 1.00 26.51 C ATOM 651 CD1 TYR A 135 99.654 -2.266 26.114 1.00 29.38 C ATOM 652 CD2 TYR A 135 101.472 -0.731 25.893 1.00 28.62 C ATOM 653 CE1 TYR A 135 99.240 -1.617 27.266 1.00 26.46 C ATOM 654 CE2 TYR A 135 101.059 -0.069 27.037 1.00 25.88 C ATOM 655 CZ TYR A 135 99.943 -0.519 27.715 1.00 25.64 C ATOM 656 OH TYR A 135 99.532 0.129 28.847 1.00 25.52 O ATOM 657 HH TYR A 135 98.725 -0.317 29.207 1.00 0.00 H ATOM 658 H TYR A 135 103.451 -3.075 25.287 1.00 0.00 H ATOM 659 N TRP A 136 100.933 -5.290 22.506 1.00 32.67 N ATOM 660 CA TRP A 136 100.964 -5.842 21.156 1.00 32.65 C ATOM 661 C TRP A 136 100.299 -4.897 20.147 1.00 35.23 C ATOM 662 O TRP A 136 100.666 -4.877 18.973 1.00 35.27 O ATOM 663 CB TRP A 136 100.289 -7.220 21.132 1.00 37.19 C ATOM 664 CG TRP A 136 100.536 -7.999 19.862 1.00 50.13 C ATOM 665 CD1 TRP A 136 101.602 -8.816 19.591 1.00 47.36 C ATOM 666 CD2 TRP A 136 99.699 -8.037 18.698 1.00 44.27 C ATOM 667 NE1 TRP A 136 101.479 -9.356 18.333 1.00 48.87 N ATOM 668 CE2 TRP A 136 100.321 -8.894 17.763 1.00 43.80 C ATOM 669 CE3 TRP A 136 98.487 -7.431 18.356 1.00 48.28 C ATOM 670 CZ2 TRP A 136 99.770 -9.160 16.512 1.00 55.95 C ATOM 671 CZ3 TRP A 136 97.942 -7.696 17.107 1.00 61.45 C ATOM 672 CH2 TRP A 136 98.585 -8.553 16.201 1.00 51.35 C ATOM 673 HE1 TRP A 136 102.154 -10.009 17.886 1.00 0.00 H ATOM 674 H TRP A 136 100.092 -5.451 23.097 1.00 0.00 H ATOM 675 N ALA A 137 99.324 -4.112 20.605 1.00 27.01 N ATOM 676 CA ALA A 137 98.634 -3.152 19.747 1.00 30.27 C ATOM 677 C ALA A 137 98.337 -1.835 20.471 1.00 23.53 C ATOM 678 O ALA A 137 98.180 -1.815 21.682 1.00 26.57 O ATOM 679 CB ALA A 137 97.341 -3.748 19.221 1.00 33.18 C ATOM 680 H ALA A 137 99.046 -4.185 21.604 1.00 0.00 H ATOM 681 N ALA A 138 98.217 -0.749 19.719 1.00 28.33 N ATOM 682 CA ALA A 138 97.930 0.552 20.320 1.00 28.40 C ATOM 683 C ALA A 138 96.595 0.535 21.069 1.00 29.81 C ATOM 684 O ALA A 138 96.455 1.157 22.121 1.00 24.96 O ATOM 685 CB ALA A 138 97.929 1.652 19.255 1.00 27.78 C ATOM 686 H ALA A 138 98.329 -0.824 18.688 1.00 0.00 H ATOM 687 N SER A 139 95.610 -0.177 20.525 1.00 29.32 N ATOM 688 CA SER A 139 94.291 -0.216 21.150 1.00 24.50 C ATOM 689 C SER A 139 94.365 -0.714 22.598 1.00 23.49 C ATOM 690 O SER A 139 93.568 -0.292 23.438 1.00 24.63 O ATOM 691 CB SER A 139 93.304 -1.052 20.323 1.00 33.61 C ATOM 692 OG SER A 139 93.732 -2.399 20.235 1.00 31.71 O ATOM 693 HG SER A 139 93.081 -2.917 19.698 1.00 0.00 H ATOM 694 H SER A 139 95.782 -0.709 19.648 1.00 0.00 H ATOM 695 N GLU A 140 95.321 -1.590 22.894 1.00 21.75 N ATOM 696 CA GLU A 140 95.505 -2.106 24.253 1.00 21.09 C ATOM 697 C GLU A 140 95.960 -1.021 25.246 1.00 24.00 C ATOM 698 O GLU A 140 95.529 -0.984 26.414 1.00 21.72 O ATOM 699 CB GLU A 140 96.520 -3.248 24.258 1.00 30.73 C ATOM 700 CG GLU A 140 96.132 -4.394 23.344 1.00 36.41 C ATOM 701 CD GLU A 140 97.210 -5.452 23.225 1.00 33.29 C ATOM 702 OE1 GLU A 140 98.317 -5.258 23.779 1.00 30.35 O ATOM 703 OE2 GLU A 140 96.936 -6.488 22.575 1.00 41.21 O ATOM 704 H GLU A 140 95.956 -1.918 22.139 1.00 0.00 H ATOM 705 N CYS A 141 96.871 -0.178 24.781 1.00 22.89 N ATOM 706 CA CYS A 141 97.389 0.919 25.582 1.00 21.20 C ATOM 707 C CYS A 141 96.278 1.931 25.788 1.00 17.26 C ATOM 708 O CYS A 141 96.111 2.472 26.893 1.00 19.05 O ATOM 709 CB CYS A 141 98.566 1.569 24.860 1.00 22.02 C ATOM 710 SG CYS A 141 99.161 3.118 25.566 1.00 23.23 S ATOM 711 H CYS A 141 97.227 -0.305 23.812 1.00 0.00 H ATOM 712 N MET A 142 95.514 2.184 24.728 1.00 18.30 N ATOM 713 CA MET A 142 94.395 3.119 24.801 1.00 22.49 C ATOM 714 C MET A 142 93.373 2.645 25.834 1.00 19.66 C ATOM 715 O MET A 142 92.805 3.451 26.560 1.00 16.59 O ATOM 716 CB MET A 142 93.739 3.296 23.436 1.00 17.59 C ATOM 717 CG MET A 142 94.630 4.004 22.424 1.00 20.51 C ATOM 718 SD MET A 142 94.038 3.844 20.727 1.00 24.57 S ATOM 719 CE MET A 142 92.465 4.686 20.790 1.00 17.01 C ATOM 720 H MET A 142 95.719 1.705 23.828 1.00 0.00 H ATOM 721 N GLN A 143 93.134 1.338 25.898 1.00 18.09 N ATOM 722 CA GLN A 143 92.212 0.822 26.906 1.00 19.70 C ATOM 723 C GLN A 143 92.737 1.010 28.330 1.00 21.02 C ATOM 724 O GLN A 143 91.945 1.224 29.243 1.00 18.22 O ATOM 725 CB GLN A 143 91.883 -0.659 26.665 1.00 19.83 C ATOM 726 CG GLN A 143 91.283 -0.945 25.296 1.00 21.61 C ATOM 727 CD GLN A 143 89.866 -0.425 25.115 1.00 28.16 C ATOM 728 OE1 GLN A 143 89.279 0.171 26.024 1.00 27.73 O ATOM 729 NE2 GLN A 143 89.305 -0.655 23.926 1.00 25.44 N ATOM 730 HE22 GLN A 143 89.837 -1.161 23.189 1.00 0.00 H ATOM 731 HE21 GLN A 143 88.336 -0.328 23.736 1.00 0.00 H ATOM 732 H GLN A 143 93.601 0.688 25.234 1.00 0.00 H ATOM 733 N ASP A 144 94.051 0.904 28.537 1.00 17.92 N ATOM 734 CA ASP A 144 94.611 1.179 29.870 1.00 14.57 C ATOM 735 C ASP A 144 94.401 2.648 30.248 1.00 17.46 C ATOM 736 O ASP A 144 93.995 2.938 31.372 1.00 17.84 O ATOM 737 CB ASP A 144 96.097 0.815 29.983 1.00 21.18 C ATOM 738 CG ASP A 144 96.338 -0.688 30.094 1.00 27.57 C ATOM 739 OD1 ASP A 144 95.385 -1.446 30.373 1.00 22.46 O ATOM 740 OD2 ASP A 144 97.496 -1.103 29.902 1.00 25.09 O ATOM 741 H ASP A 144 94.680 0.627 27.756 1.00 0.00 H ATOM 742 N PHE A 145 94.684 3.570 29.325 1.00 17.99 N ATOM 743 CA PHE A 145 94.394 4.986 29.583 1.00 16.47 C ATOM 744 C PHE A 145 92.924 5.144 29.964 1.00 16.81 C ATOM 745 O PHE A 145 92.585 5.842 30.930 1.00 15.46 O ATOM 746 CB PHE A 145 94.675 5.870 28.363 1.00 14.10 C ATOM 747 CG PHE A 145 96.085 6.389 28.295 1.00 16.74 C ATOM 748 CD1 PHE A 145 96.519 7.358 29.185 1.00 21.66 C ATOM 749 CD2 PHE A 145 96.969 5.911 27.340 1.00 20.61 C ATOM 750 CE1 PHE A 145 97.819 7.844 29.128 1.00 20.55 C ATOM 751 CE2 PHE A 145 98.273 6.387 27.281 1.00 21.04 C ATOM 752 CZ PHE A 145 98.694 7.357 28.174 1.00 25.34 C ATOM 753 H PHE A 145 95.111 3.285 28.421 1.00 0.00 H ATOM 754 N ASN A 146 92.054 4.517 29.180 1.00 15.26 N ATOM 755 CA ASN A 146 90.627 4.628 29.403 1.00 17.18 C ATOM 756 C ASN A 146 90.235 4.096 30.772 1.00 19.77 C ATOM 757 O ASN A 146 89.486 4.728 31.503 1.00 16.57 O ATOM 758 CB ASN A 146 89.848 3.876 28.326 1.00 19.84 C ATOM 759 CG ASN A 146 88.357 4.074 28.465 1.00 18.40 C ATOM 760 OD1 ASN A 146 87.836 5.151 28.157 1.00 20.24 O ATOM 761 ND2 ASN A 146 87.659 3.039 28.920 1.00 17.95 N ATOM 762 HD22 ASN A 146 88.144 2.153 29.166 1.00 0.00 H ATOM 763 HD21 ASN A 146 86.628 3.115 29.030 1.00 0.00 H ATOM 764 H ASN A 146 92.404 3.936 28.392 1.00 0.00 H ATOM 765 N THR A 147 90.722 2.911 31.104 1.00 14.41 N ATOM 766 CA THR A 147 90.480 2.348 32.430 1.00 15.00 C ATOM 767 C THR A 147 90.901 3.279 33.575 1.00 17.09 C ATOM 768 O THR A 147 90.168 3.465 34.540 1.00 14.84 O ATOM 769 CB THR A 147 91.197 1.011 32.552 1.00 19.47 C ATOM 770 OG1 THR A 147 90.586 0.094 31.639 1.00 18.54 O ATOM 771 CG2 THR A 147 91.129 0.460 33.969 1.00 15.66 C ATOM 772 HG1 THR A 147 91.039 -0.784 31.703 1.00 0.00 H ATOM 773 H THR A 147 91.284 2.374 30.413 1.00 0.00 H ATOM 774 N MET A 148 92.079 3.874 33.453 1.00 13.63 N ATOM 775 CA MET A 148 92.567 4.761 34.494 1.00 11.20 C ATOM 776 C MET A 148 91.566 5.910 34.708 1.00 12.94 C ATOM 777 O MET A 148 91.260 6.264 35.854 1.00 14.74 O ATOM 778 CB MET A 148 93.936 5.330 34.108 1.00 14.95 C ATOM 779 CG MET A 148 94.429 6.443 35.034 1.00 18.83 C ATOM 780 SD MET A 148 95.989 7.107 34.418 1.00 16.92 S ATOM 781 CE MET A 148 95.397 8.059 33.021 1.00 22.56 C ATOM 782 H MET A 148 92.658 3.704 32.606 1.00 0.00 H ATOM 783 N PHE A 149 91.080 6.502 33.622 1.00 15.40 N ATOM 784 CA PHE A 149 90.148 7.630 33.753 1.00 14.99 C ATOM 785 C PHE A 149 88.803 7.121 34.251 1.00 13.79 C ATOM 786 O PHE A 149 88.185 7.708 35.116 1.00 12.62 O ATOM 787 CB PHE A 149 89.976 8.379 32.428 1.00 17.94 C ATOM 788 CG PHE A 149 91.223 9.101 31.966 1.00 16.66 C ATOM 789 CD1 PHE A 149 91.833 10.047 32.769 1.00 21.85 C ATOM 790 CD2 PHE A 149 91.767 8.835 30.723 1.00 18.96 C ATOM 791 CE1 PHE A 149 92.990 10.714 32.347 1.00 22.52 C ATOM 792 CE2 PHE A 149 92.914 9.512 30.298 1.00 17.79 C ATOM 793 CZ PHE A 149 93.517 10.438 31.114 1.00 19.87 C ATOM 794 H PHE A 149 91.360 6.166 32.678 1.00 0.00 H ATOM 795 N THR A 150 88.344 6.004 33.701 1.00 13.72 N ATOM 796 CA THR A 150 87.032 5.502 34.086 1.00 13.32 C ATOM 797 C THR A 150 86.999 5.132 35.578 1.00 14.70 C ATOM 798 O THR A 150 86.037 5.451 36.283 1.00 14.79 O ATOM 799 CB THR A 150 86.587 4.360 33.149 1.00 16.28 C ATOM 800 OG1 THR A 150 86.310 4.925 31.869 1.00 14.85 O ATOM 801 CG2 THR A 150 85.301 3.680 33.667 1.00 16.37 C ATOM 802 HG1 THR A 150 87.127 5.359 31.517 1.00 0.00 H ATOM 803 H THR A 150 88.917 5.491 33.001 1.00 0.00 H ATOM 804 N ASN A 151 88.053 4.490 36.062 1.00 13.81 N ATOM 805 CA ASN A 151 88.157 4.177 37.492 1.00 16.24 C ATOM 806 C ASN A 151 87.931 5.431 38.336 1.00 17.74 C ATOM 807 O ASN A 151 87.222 5.427 39.340 1.00 13.91 O ATOM 808 CB ASN A 151 89.529 3.589 37.830 1.00 16.43 C ATOM 809 CG ASN A 151 89.740 2.178 37.271 1.00 14.78 C ATOM 810 OD1 ASN A 151 88.797 1.511 36.839 1.00 15.92 O ATOM 811 ND2 ASN A 151 90.996 1.708 37.306 1.00 17.77 N ATOM 812 HD22 ASN A 151 91.764 2.303 37.678 1.00 0.00 H ATOM 813 HD21 ASN A 151 91.202 0.749 36.961 1.00 0.00 H ATOM 814 H ASN A 151 88.818 4.204 35.418 1.00 0.00 H ATOM 815 N CYS A 152 88.567 6.511 37.914 1.00 12.75 N ATOM 816 CA CYS A 152 88.472 7.765 38.650 1.00 13.14 C ATOM 817 C CYS A 152 87.017 8.265 38.691 1.00 13.13 C ATOM 818 O CYS A 152 86.518 8.657 39.755 1.00 16.01 O ATOM 819 CB CYS A 152 89.419 8.773 38.013 1.00 12.76 C ATOM 820 SG CYS A 152 89.493 10.368 38.868 1.00 17.53 S ATOM 821 H CYS A 152 89.141 6.465 37.048 1.00 0.00 H ATOM 822 N TYR A 153 86.326 8.232 37.552 1.00 13.54 N ATOM 823 CA TYR A 153 84.957 8.754 37.487 1.00 13.40 C ATOM 824 C TYR A 153 84.007 7.880 38.297 1.00 15.82 C ATOM 825 O TYR A 153 83.057 8.364 38.893 1.00 15.53 O ATOM 826 CB TYR A 153 84.465 8.814 36.041 1.00 13.39 C ATOM 827 CG TYR A 153 85.332 9.614 35.114 1.00 14.60 C ATOM 828 CD1 TYR A 153 85.844 10.852 35.512 1.00 14.54 C ATOM 829 CD2 TYR A 153 85.640 9.145 33.834 1.00 18.01 C ATOM 830 CE1 TYR A 153 86.655 11.596 34.664 1.00 15.70 C ATOM 831 CE2 TYR A 153 86.457 9.891 32.965 1.00 17.86 C ATOM 832 CZ TYR A 153 86.955 11.123 33.405 1.00 19.98 C ATOM 833 OH TYR A 153 87.753 11.900 32.586 1.00 19.51 O ATOM 834 HH TYR A 153 88.569 11.393 32.345 1.00 0.00 H ATOM 835 H TYR A 153 86.763 7.831 36.698 1.00 0.00 H ATOM 836 N ILE A 154 84.270 6.573 38.314 1.00 14.54 N ATOM 837 CA ILE A 154 83.380 5.635 39.003 1.00 12.50 C ATOM 838 C ILE A 154 83.551 5.718 40.511 1.00 14.26 C ATOM 839 O ILE A 154 82.569 5.724 41.259 1.00 15.42 O ATOM 840 CB ILE A 154 83.649 4.185 38.511 1.00 16.24 C ATOM 841 CG1 ILE A 154 83.026 4.003 37.126 1.00 14.97 C ATOM 842 CG2 ILE A 154 83.112 3.137 39.512 1.00 17.72 C ATOM 843 CD1 ILE A 154 83.317 2.620 36.480 1.00 15.76 C ATOM 844 H ILE A 154 85.119 6.214 37.832 1.00 0.00 H ATOM 845 N TYR A 155 84.801 5.775 40.967 1.00 15.21 N ATOM 846 CA TYR A 155 85.061 5.757 42.400 1.00 14.33 C ATOM 847 C TYR A 155 84.704 7.062 43.114 1.00 17.93 C ATOM 848 O TYR A 155 84.104 7.046 44.200 1.00 14.38 O ATOM 849 CB TYR A 155 86.514 5.398 42.717 1.00 14.84 C ATOM 850 CG TYR A 155 86.718 5.325 44.212 1.00 17.10 C ATOM 851 CD1 TYR A 155 86.275 4.218 44.935 1.00 18.89 C ATOM 852 CD2 TYR A 155 87.292 6.373 44.901 1.00 15.46 C ATOM 853 CE1 TYR A 155 86.417 4.152 46.295 1.00 25.03 C ATOM 854 CE2 TYR A 155 87.441 6.319 46.280 1.00 21.08 C ATOM 855 CZ TYR A 155 87.002 5.195 46.965 1.00 26.22 C ATOM 856 OH TYR A 155 87.139 5.117 48.332 1.00 27.45 O ATOM 857 HH TYR A 155 86.775 4.253 48.650 1.00 0.00 H ATOM 858 H TYR A 155 85.595 5.833 40.297 1.00 0.00 H ATOM 859 N ASN A 156 85.098 8.187 42.518 1.00 14.36 N ATOM 860 CA ASN A 156 85.047 9.455 43.233 1.00 17.62 C ATOM 861 C ASN A 156 83.664 10.110 43.162 1.00 21.02 C ATOM 862 O ASN A 156 82.826 9.743 42.330 1.00 18.23 O ATOM 863 CB ASN A 156 86.158 10.382 42.732 1.00 15.70 C ATOM 864 CG ASN A 156 87.541 9.847 43.058 1.00 16.44 C ATOM 865 OD1 ASN A 156 87.990 9.934 44.193 1.00 19.38 O ATOM 866 ND2 ASN A 156 88.209 9.245 42.063 1.00 15.22 N ATOM 867 HD22 ASN A 156 87.790 9.193 41.112 1.00 0.00 H ATOM 868 HD21 ASN A 156 89.146 8.830 42.242 1.00 0.00 H ATOM 869 H ASN A 156 85.444 8.159 41.537 1.00 0.00 H ATOM 870 N LYS A 157 83.417 11.048 44.070 1.00 22.95 N ATOM 871 CA LYS A 157 82.177 11.821 44.051 1.00 27.70 C ATOM 872 C LYS A 157 82.206 12.792 42.876 1.00 24.79 C ATOM 873 O LYS A 157 83.273 13.238 42.463 1.00 27.13 O ATOM 874 CB LYS A 157 82.003 12.582 45.368 1.00 25.63 C ATOM 875 CG LYS A 157 81.871 11.687 46.586 1.00 40.21 C ATOM 876 CD LYS A 157 82.146 12.457 47.870 1.00 42.85 C ATOM 877 CE LYS A 157 82.184 11.524 49.070 1.00 56.00 C ATOM 878 NZ LYS A 157 83.096 12.035 50.133 1.00 65.80 N ATOM 879 HZ1 LYS A 157 84.060 12.119 49.751 1.00 0.00 H ATOM 880 HZ2 LYS A 157 82.766 12.968 50.452 1.00 0.00 H ATOM 881 HZ3 LYS A 157 83.096 11.373 50.935 1.00 0.00 H ATOM 882 H LYS A 157 84.122 11.236 44.811 1.00 0.00 H ATOM 883 N PRO A 158 81.029 13.118 42.325 1.00 21.75 N ATOM 884 CA PRO A 158 80.911 13.988 41.149 1.00 23.82 C ATOM 885 C PRO A 158 81.615 15.342 41.332 1.00 22.33 C ATOM 886 O PRO A 158 82.146 15.890 40.371 1.00 29.62 O ATOM 887 CB PRO A 158 79.399 14.194 41.022 1.00 30.82 C ATOM 888 CG PRO A 158 78.800 12.974 41.642 1.00 25.80 C ATOM 889 CD PRO A 158 79.729 12.561 42.746 1.00 27.47 C ATOM 890 N THR A 159 81.629 15.855 42.553 1.00 27.12 N ATOM 891 CA THR A 159 82.192 17.180 42.797 1.00 37.51 C ATOM 892 C THR A 159 83.671 17.178 43.192 1.00 37.81 C ATOM 893 O THR A 159 84.250 18.239 43.407 1.00 29.43 O ATOM 894 CB THR A 159 81.390 17.933 43.874 1.00 39.37 C ATOM 895 OG1 THR A 159 81.170 17.063 44.995 1.00 36.74 O ATOM 896 CG2 THR A 159 80.051 18.391 43.307 1.00 37.80 C ATOM 897 HG1 THR A 159 82.042 16.780 45.368 1.00 0.00 H ATOM 898 H THR A 159 81.235 15.309 43.346 1.00 0.00 H ATOM 899 N ASP A 160 84.287 16.002 43.284 1.00 22.53 N ATOM 900 CA ASP A 160 85.689 15.930 43.695 1.00 21.96 C ATOM 901 C ASP A 160 86.590 16.554 42.649 1.00 19.28 C ATOM 902 O ASP A 160 86.410 16.322 41.457 1.00 22.60 O ATOM 903 CB ASP A 160 86.123 14.473 43.905 1.00 22.63 C ATOM 904 CG ASP A 160 85.566 13.869 45.169 1.00 29.39 C ATOM 905 OD1 ASP A 160 85.245 14.636 46.106 1.00 35.31 O ATOM 906 OD2 ASP A 160 85.487 12.618 45.239 1.00 29.03 O ATOM 907 H ASP A 160 83.768 15.128 43.062 1.00 0.00 H ATOM 908 N ASP A 161 87.568 17.340 43.093 1.00 19.64 N ATOM 909 CA ASP A 161 88.516 17.958 42.174 1.00 21.27 C ATOM 910 C ASP A 161 89.211 16.944 41.276 1.00 21.46 C ATOM 911 O ASP A 161 89.577 17.270 40.153 1.00 18.71 O ATOM 912 CB ASP A 161 89.576 18.749 42.939 1.00 21.70 C ATOM 913 CG ASP A 161 89.020 20.012 43.562 1.00 23.04 C ATOM 914 OD1 ASP A 161 87.818 20.301 43.345 1.00 24.81 O ATOM 915 OD2 ASP A 161 89.793 20.700 44.263 1.00 29.92 O ATOM 916 H ASP A 161 87.658 17.516 44.114 1.00 0.00 H ATOM 917 N ILE A 162 89.402 15.717 41.765 1.00 16.81 N ATOM 918 CA ILE A 162 90.170 14.748 40.987 1.00 20.38 C ATOM 919 C ILE A 162 89.456 14.432 39.669 1.00 16.64 C ATOM 920 O ILE A 162 90.096 14.177 38.643 1.00 16.78 O ATOM 921 CB ILE A 162 90.461 13.462 41.796 1.00 15.88 C ATOM 922 CG1 ILE A 162 91.450 12.569 41.049 1.00 18.07 C ATOM 923 CG2 ILE A 162 89.175 12.716 42.114 1.00 16.00 C ATOM 924 CD1 ILE A 162 92.872 13.075 41.077 1.00 25.38 C ATOM 925 H ILE A 162 89.008 15.453 42.691 1.00 0.00 H ATOM 926 N VAL A 163 88.128 14.472 39.696 1.00 16.04 N ATOM 927 CA VAL A 163 87.336 14.244 38.491 1.00 16.35 C ATOM 928 C VAL A 163 87.625 15.315 37.434 1.00 17.05 C ATOM 929 O VAL A 163 87.775 15.011 36.256 1.00 16.66 O ATOM 930 CB VAL A 163 85.832 14.173 38.836 1.00 18.47 C ATOM 931 CG1 VAL A 163 84.981 14.218 37.568 1.00 19.15 C ATOM 932 CG2 VAL A 163 85.553 12.921 39.668 1.00 19.71 C ATOM 933 H VAL A 163 87.643 14.670 40.594 1.00 0.00 H ATOM 934 N LEU A 164 87.712 16.572 37.865 1.00 17.05 N ATOM 935 CA LEU A 164 88.060 17.660 36.957 1.00 18.50 C ATOM 936 C LEU A 164 89.457 17.474 36.351 1.00 16.69 C ATOM 937 O LEU A 164 89.673 17.734 35.164 1.00 18.32 O ATOM 938 CB LEU A 164 87.986 19.010 37.684 1.00 17.57 C ATOM 939 CG LEU A 164 88.169 20.227 36.780 1.00 22.03 C ATOM 940 CD1 LEU A 164 87.105 20.236 35.685 1.00 31.11 C ATOM 941 CD2 LEU A 164 88.125 21.516 37.584 1.00 23.76 C ATOM 942 H LEU A 164 87.529 16.782 38.867 1.00 0.00 H ATOM 943 N MET A 165 90.398 17.018 37.170 1.00 16.08 N ATOM 944 CA MET A 165 91.761 16.803 36.718 1.00 16.63 C ATOM 945 C MET A 165 91.800 15.670 35.696 1.00 17.91 C ATOM 946 O MET A 165 92.429 15.792 34.646 1.00 15.85 O ATOM 947 CB MET A 165 92.688 16.542 37.914 1.00 18.42 C ATOM 948 CG MET A 165 92.731 17.741 38.894 1.00 15.98 C ATOM 949 SD MET A 165 93.496 17.282 40.458 1.00 19.85 S ATOM 950 CE MET A 165 95.217 17.297 39.987 1.00 20.61 C ATOM 951 H MET A 165 90.153 16.810 38.159 1.00 0.00 H ATOM 952 N ALA A 166 91.103 14.576 35.990 1.00 17.02 N ATOM 953 CA ALA A 166 90.997 13.475 35.033 1.00 16.97 C ATOM 954 C ALA A 166 90.382 13.917 33.698 1.00 15.93 C ATOM 955 O ALA A 166 90.881 13.567 32.627 1.00 17.44 O ATOM 956 CB ALA A 166 90.193 12.315 35.639 1.00 13.64 C ATOM 957 H ALA A 166 90.627 14.503 36.912 1.00 0.00 H ATOM 958 N GLN A 167 89.295 14.680 33.764 1.00 15.10 N ATOM 959 CA GLN A 167 88.642 15.167 32.555 1.00 16.14 C ATOM 960 C GLN A 167 89.604 15.986 31.706 1.00 20.58 C ATOM 961 O GLN A 167 89.627 15.851 30.483 1.00 17.76 O ATOM 962 CB GLN A 167 87.408 16.009 32.900 1.00 18.43 C ATOM 963 CG GLN A 167 86.287 15.219 33.559 1.00 16.40 C ATOM 964 CD GLN A 167 85.128 16.094 33.987 1.00 20.74 C ATOM 965 OE1 GLN A 167 85.248 16.904 34.918 1.00 19.44 O ATOM 966 NE2 GLN A 167 83.996 15.943 33.307 1.00 23.21 N ATOM 967 HE22 GLN A 167 83.943 15.250 32.533 1.00 0.00 H ATOM 968 HE21 GLN A 167 83.164 16.518 33.549 1.00 0.00 H ATOM 969 H GLN A 167 88.904 14.934 34.694 1.00 0.00 H ATOM 970 N THR A 168 90.389 16.844 32.358 1.00 18.71 N ATOM 971 CA THR A 168 91.344 17.699 31.650 1.00 16.97 C ATOM 972 C THR A 168 92.382 16.874 30.899 1.00 20.26 C ATOM 973 O THR A 168 92.710 17.150 29.734 1.00 17.12 O ATOM 974 CB THR A 168 92.051 18.663 32.627 1.00 21.16 C ATOM 975 OG1 THR A 168 91.065 19.490 33.242 1.00 20.44 O ATOM 976 CG2 THR A 168 93.052 19.544 31.906 1.00 21.29 C ATOM 977 HG1 THR A 168 90.420 18.922 33.734 1.00 0.00 H ATOM 978 H THR A 168 90.322 16.908 33.394 1.00 0.00 H ATOM 979 N LEU A 169 92.888 15.850 31.571 1.00 16.25 N ATOM 980 CA LEU A 169 93.898 14.979 30.992 1.00 17.45 C ATOM 981 C LEU A 169 93.299 14.175 29.851 1.00 15.08 C ATOM 982 O LEU A 169 93.912 13.985 28.796 1.00 17.99 O ATOM 983 CB LEU A 169 94.452 14.046 32.063 1.00 13.42 C ATOM 984 CG LEU A 169 95.249 14.731 33.176 1.00 15.01 C ATOM 985 CD1 LEU A 169 95.538 13.763 34.317 1.00 17.69 C ATOM 986 CD2 LEU A 169 96.556 15.300 32.628 1.00 20.28 C ATOM 987 H LEU A 169 92.554 15.664 32.538 1.00 0.00 H ATOM 988 N GLU A 170 92.081 13.699 30.062 1.00 18.38 N ATOM 989 CA GLU A 170 91.489 12.816 29.077 1.00 14.08 C ATOM 990 C GLU A 170 91.125 13.589 27.819 1.00 16.24 C ATOM 991 O GLU A 170 91.113 13.029 26.734 1.00 16.67 O ATOM 992 CB GLU A 170 90.268 12.093 29.637 1.00 15.29 C ATOM 993 CG GLU A 170 89.819 10.968 28.713 1.00 17.71 C ATOM 994 CD GLU A 170 88.846 10.024 29.363 1.00 25.66 C ATOM 995 OE1 GLU A 170 88.046 10.490 30.200 1.00 19.00 O ATOM 996 OE2 GLU A 170 88.882 8.819 29.018 1.00 23.80 O ATOM 997 H GLU A 170 91.557 13.955 30.923 1.00 0.00 H ATOM 998 N LYS A 171 90.814 14.874 27.959 1.00 16.21 N ATOM 999 CA LYS A 171 90.551 15.692 26.789 1.00 19.89 C ATOM 1000 C LYS A 171 91.798 15.728 25.903 1.00 17.50 C ATOM 1001 O LYS A 171 91.701 15.630 24.676 1.00 17.61 O ATOM 1002 CB LYS A 171 90.149 17.119 27.186 1.00 18.41 C ATOM 1003 CG LYS A 171 90.129 18.071 26.002 1.00 32.17 C ATOM 1004 CD LYS A 171 89.680 19.482 26.401 1.00 25.33 C ATOM 1005 CE LYS A 171 90.035 20.465 25.301 1.00 42.81 C ATOM 1006 NZ LYS A 171 89.016 21.543 25.150 1.00 50.11 N ATOM 1007 HZ1 LYS A 171 88.096 21.118 24.917 1.00 0.00 H ATOM 1008 HZ2 LYS A 171 88.939 22.073 26.042 1.00 0.00 H ATOM 1009 HZ3 LYS A 171 89.305 22.187 24.387 1.00 0.00 H ATOM 1010 H LYS A 171 90.759 15.294 28.909 1.00 0.00 H ATOM 1011 N ILE A 172 92.970 15.871 26.524 1.00 18.04 N ATOM 1012 CA ILE A 172 94.230 15.873 25.776 1.00 20.54 C ATOM 1013 C ILE A 172 94.490 14.501 25.175 1.00 22.05 C ATOM 1014 O ILE A 172 94.894 14.382 24.013 1.00 20.43 O ATOM 1015 CB ILE A 172 95.431 16.290 26.664 1.00 18.74 C ATOM 1016 CG1 ILE A 172 95.276 17.747 27.083 1.00 18.59 C ATOM 1017 CG2 ILE A 172 96.743 16.060 25.923 1.00 20.51 C ATOM 1018 CD1 ILE A 172 96.157 18.133 28.252 1.00 26.24 C ATOM 1019 H ILE A 172 92.990 15.983 27.558 1.00 0.00 H ATOM 1020 N PHE A 173 94.258 13.457 25.967 1.00 17.40 N ATOM 1021 CA PHE A 173 94.330 12.106 25.452 1.00 19.73 C ATOM 1022 C PHE A 173 93.528 12.000 24.146 1.00 20.85 C ATOM 1023 O PHE A 173 94.058 11.559 23.134 1.00 21.34 O ATOM 1024 CB PHE A 173 93.851 11.103 26.516 1.00 15.39 C ATOM 1025 CG PHE A 173 93.668 9.692 26.008 1.00 18.16 C ATOM 1026 CD1 PHE A 173 94.759 8.863 25.798 1.00 19.02 C ATOM 1027 CD2 PHE A 173 92.398 9.197 25.778 1.00 20.06 C ATOM 1028 CE1 PHE A 173 94.588 7.553 25.350 1.00 19.84 C ATOM 1029 CE2 PHE A 173 92.206 7.897 25.323 1.00 23.09 C ATOM 1030 CZ PHE A 173 93.312 7.070 25.108 1.00 19.68 C ATOM 1031 H PHE A 173 94.022 13.614 26.968 1.00 0.00 H ATOM 1032 N LEU A 174 92.270 12.434 24.143 1.00 14.91 N ATOM 1033 CA LEU A 174 91.432 12.229 22.963 1.00 18.65 C ATOM 1034 C LEU A 174 91.885 13.094 21.800 1.00 21.76 C ATOM 1035 O LEU A 174 91.908 12.648 20.658 1.00 20.49 O ATOM 1036 CB LEU A 174 89.957 12.491 23.276 1.00 19.39 C ATOM 1037 CG LEU A 174 89.372 11.553 24.327 1.00 22.33 C ATOM 1038 CD1 LEU A 174 88.045 12.098 24.831 1.00 25.44 C ATOM 1039 CD2 LEU A 174 89.187 10.159 23.719 1.00 22.31 C ATOM 1040 H LEU A 174 91.884 12.918 24.979 1.00 0.00 H ATOM 1041 N GLN A 175 92.253 14.335 22.097 1.00 20.70 N ATOM 1042 CA GLN A 175 92.745 15.213 21.064 1.00 20.17 C ATOM 1043 C GLN A 175 93.944 14.582 20.368 1.00 26.90 C ATOM 1044 O GLN A 175 94.031 14.609 19.142 1.00 25.91 O ATOM 1045 CB GLN A 175 93.092 16.592 21.644 1.00 23.41 C ATOM 1046 CG GLN A 175 91.855 17.411 21.946 1.00 27.34 C ATOM 1047 CD GLN A 175 92.145 18.706 22.706 1.00 42.22 C ATOM 1048 OE1 GLN A 175 91.315 19.616 22.727 1.00 49.39 O ATOM 1049 NE2 GLN A 175 93.311 18.783 23.346 1.00 30.82 N ATOM 1050 HE22 GLN A 175 93.982 17.990 23.301 1.00 0.00 H ATOM 1051 HE21 GLN A 175 93.550 19.636 23.891 1.00 0.00 H ATOM 1052 H GLN A 175 92.186 14.675 23.078 1.00 0.00 H ATOM 1053 N LYS A 176 94.854 13.999 21.146 1.00 23.59 N ATOM 1054 CA LYS A 176 96.078 13.446 20.575 1.00 27.05 C ATOM 1055 C LYS A 176 95.765 12.162 19.823 1.00 30.19 C ATOM 1056 O LYS A 176 96.301 11.910 18.741 1.00 25.36 O ATOM 1057 CB LYS A 176 97.140 13.199 21.651 1.00 28.12 C ATOM 1058 CG LYS A 176 97.623 14.447 22.379 1.00 38.23 C ATOM 1059 CD LYS A 176 98.371 15.400 21.457 1.00 39.53 C ATOM 1060 CE LYS A 176 98.914 16.595 22.233 1.00 44.98 C ATOM 1061 NZ LYS A 176 99.735 17.502 21.384 1.00 55.89 N ATOM 1062 HZ1 LYS A 176 100.545 16.975 20.999 1.00 0.00 H ATOM 1063 HZ2 LYS A 176 99.152 17.865 20.603 1.00 0.00 H ATOM 1064 HZ3 LYS A 176 100.079 18.297 21.960 1.00 0.00 H ATOM 1065 H LYS A 176 94.691 13.937 22.171 1.00 0.00 H ATOM 1066 N VAL A 177 94.870 11.354 20.382 1.00 19.05 N ATOM 1067 CA VAL A 177 94.520 10.100 19.744 1.00 21.03 C ATOM 1068 C VAL A 177 93.868 10.297 18.369 1.00 22.56 C ATOM 1069 O VAL A 177 94.001 9.445 17.487 1.00 25.24 O ATOM 1070 CB VAL A 177 93.625 9.251 20.659 1.00 22.96 C ATOM 1071 CG1 VAL A 177 92.854 8.218 19.857 1.00 29.16 C ATOM 1072 CG2 VAL A 177 94.480 8.604 21.740 1.00 22.85 C ATOM 1073 H VAL A 177 94.419 11.622 21.280 1.00 0.00 H ATOM 1074 N ALA A 178 93.190 11.425 18.180 1.00 26.62 N ATOM 1075 CA ALA A 178 92.557 11.720 16.898 1.00 24.15 C ATOM 1076 C ALA A 178 93.575 11.875 15.762 1.00 26.16 C ATOM 1077 O ALA A 178 93.201 11.813 14.590 1.00 29.96 O ATOM 1078 CB ALA A 178 91.679 12.971 16.989 1.00 21.37 C ATOM 1079 H ALA A 178 93.109 12.109 18.959 1.00 0.00 H ATOM 1080 N SER A 179 94.847 12.074 16.106 1.00 24.18 N ATOM 1081 CA SER A 179 95.895 12.285 15.098 1.00 25.32 C ATOM 1082 C SER A 179 96.874 11.127 15.011 1.00 27.88 C ATOM 1083 O SER A 179 97.909 11.227 14.368 1.00 26.72 O ATOM 1084 CB SER A 179 96.661 13.590 15.369 1.00 25.93 C ATOM 1085 OG SER A 179 95.795 14.704 15.293 1.00 33.10 O ATOM 1086 HG SER A 179 95.396 14.749 14.388 1.00 0.00 H ATOM 1087 H SER A 179 95.104 12.080 17.114 1.00 0.00 H ATOM 1088 N MET A 180 96.551 10.025 15.667 1.00 25.12 N ATOM 1089 CA MET A 180 97.391 8.836 15.607 1.00 27.89 C ATOM 1090 C MET A 180 97.385 8.262 14.192 1.00 26.39 C ATOM 1091 O MET A 180 96.372 8.321 13.506 1.00 29.45 O ATOM 1092 CB MET A 180 96.881 7.799 16.618 1.00 28.49 C ATOM 1093 CG MET A 180 97.637 6.500 16.659 1.00 28.85 C ATOM 1094 SD MET A 180 97.110 5.522 18.091 1.00 31.34 S ATOM 1095 CE MET A 180 95.347 5.674 17.906 1.00 26.25 C ATOM 1096 H MET A 180 95.681 10.007 16.236 1.00 0.00 H ATOM 1097 N PRO A 181 98.531 7.726 13.745 1.00 32.63 N ATOM 1098 CA PRO A 181 98.596 7.013 12.461 1.00 45.39 C ATOM 1099 C PRO A 181 97.508 5.948 12.410 1.00 40.68 C ATOM 1100 O PRO A 181 97.305 5.263 13.409 1.00 35.27 O ATOM 1101 CB PRO A 181 99.978 6.359 12.498 1.00 39.69 C ATOM 1102 CG PRO A 181 100.795 7.276 13.338 1.00 38.66 C ATOM 1103 CD PRO A 181 99.848 7.799 14.403 1.00 32.31 C ATOM 1104 N GLN A 182 96.821 5.815 11.277 1.00 42.35 N ATOM 1105 CA GLN A 182 95.582 5.035 11.227 1.00 47.90 C ATOM 1106 C GLN A 182 95.786 3.531 11.068 1.00 56.05 C ATOM 1107 O GLN A 182 95.050 2.733 11.655 1.00 44.52 O ATOM 1108 CB GLN A 182 94.648 5.554 10.129 1.00 50.24 C ATOM 1109 CG GLN A 182 95.063 5.206 8.711 1.00 58.05 C ATOM 1110 CD GLN A 182 93.984 5.546 7.692 1.00 67.78 C ATOM 1111 OE1 GLN A 182 94.084 6.544 6.973 1.00 56.32 O ATOM 1112 NE2 GLN A 182 92.941 4.719 7.630 1.00 59.47 N ATOM 1113 HE22 GLN A 182 92.898 3.889 8.255 1.00 0.00 H ATOM 1114 HE21 GLN A 182 92.170 4.904 6.956 1.00 0.00 H ATOM 1115 H GLN A 182 97.171 6.273 10.411 1.00 0.00 H ATOM 1116 N GLU A 183 96.768 3.143 10.263 1.00 59.45 N ATOM 1117 CA GLU A 183 97.076 1.730 10.095 1.00 53.26 C ATOM 1118 C GLU A 183 98.260 1.322 10.954 1.00 43.32 C ATOM 1119 O GLU A 183 99.365 1.853 10.813 1.00 43.34 O ATOM 1120 CB GLU A 183 97.314 1.379 8.623 1.00 53.48 C ATOM 1121 CG GLU A 183 96.031 1.220 7.816 1.00 65.75 C ATOM 1122 CD GLU A 183 96.006 -0.059 6.990 1.00 86.75 C ATOM 1123 OE1 GLU A 183 97.095 -0.580 6.657 1.00 79.77 O ATOM 1124 OE2 GLU A 183 94.895 -0.547 6.680 1.00 78.20 O ATOM 1125 H GLU A 183 97.323 3.856 9.747 1.00 0.00 H ATOM 1126 N GLU A 184 98.021 0.377 11.855 1.00 30.22 N ATOM 1127 CA GLU A 184 99.077 -0.110 12.711 1.00 33.46 C ATOM 1128 C GLU A 184 99.985 -1.063 11.950 1.00 44.82 C ATOM 1129 O GLU A 184 99.520 -2.004 11.310 1.00 46.03 O ATOM 1130 CB GLU A 184 98.512 -0.806 13.938 1.00 35.02 C ATOM 1131 CG GLU A 184 99.576 -1.121 14.968 1.00 35.15 C ATOM 1132 CD GLU A 184 99.001 -1.315 16.355 1.00 40.74 C ATOM 1133 OE1 GLU A 184 97.876 -1.854 16.453 1.00 34.58 O ATOM 1134 OE2 GLU A 184 99.670 -0.928 17.339 1.00 30.63 O ATOM 1135 H GLU A 184 97.063 -0.017 11.945 1.00 0.00 H ATOM 1136 N GLN A 185 101.283 -0.807 12.031 1.00 39.42 N ATOM 1137 CA GLN A 185 102.282 -1.645 11.385 1.00 43.85 C ATOM 1138 C GLN A 185 103.437 -1.918 12.346 1.00 44.48 C ATOM 1139 O GLN A 185 103.909 -1.011 13.039 1.00 40.80 O ATOM 1140 CB GLN A 185 102.766 -0.991 10.084 1.00 48.36 C ATOM 1141 CG GLN A 185 102.600 0.527 10.045 1.00 62.40 C ATOM 1142 CD GLN A 185 102.385 1.074 8.636 1.00 67.04 C ATOM 1143 OE1 GLN A 185 101.553 1.962 8.424 1.00 58.06 O ATOM 1144 NE2 GLN A 185 103.139 0.553 7.670 1.00 65.44 N ATOM 1145 HE22 GLN A 185 103.828 -0.194 7.893 1.00 0.00 H ATOM 1146 HE21 GLN A 185 103.039 0.893 6.692 1.00 0.00 H ATOM 1147 H GLN A 185 101.598 0.021 12.575 1.00 0.00 H ATOM 1148 N GLU A 186 103.867 -3.177 12.409 1.00 37.11 N ATOM 1149 CA GLU A 186 104.974 -3.560 13.279 1.00 34.40 C ATOM 1150 C GLU A 186 106.308 -3.031 12.740 1.00 48.38 C ATOM 1151 O GLU A 186 106.459 -2.804 11.539 1.00 44.99 O ATOM 1152 CB GLU A 186 105.037 -5.081 13.452 1.00 46.91 C ATOM 1153 CG GLU A 186 106.085 -5.538 14.454 1.00 41.58 C ATOM 1154 CD GLU A 186 106.176 -7.045 14.565 1.00 54.12 C ATOM 1155 OE1 GLU A 186 105.593 -7.741 13.708 1.00 66.01 O ATOM 1156 OE2 GLU A 186 106.833 -7.532 15.508 1.00 61.40 O ATOM 1157 H GLU A 186 103.404 -3.903 11.826 1.00 0.00 H ATOM 1158 N LEU A 187 107.266 -2.828 13.638 1.00 44.06 N ATOM 1159 CA LEU A 187 108.585 -2.328 13.260 1.00 48.27 C ATOM 1160 C LEU A 187 109.682 -3.309 13.671 1.00 52.06 C ATOM 1161 O LEU A 187 109.681 -3.824 14.792 1.00 57.85 O ATOM 1162 CB LEU A 187 108.832 -0.953 13.892 1.00 52.21 C ATOM 1163 CG LEU A 187 108.092 0.216 13.231 1.00 50.17 C ATOM 1164 CD1 LEU A 187 107.814 1.352 14.212 1.00 37.50 C ATOM 1165 CD2 LEU A 187 108.873 0.712 12.018 1.00 60.71 C ATOM 1166 H LEU A 187 107.071 -3.031 14.639 1.00 0.00 H TER 1167 LEU A 187 HETATM 1168 O HOH 1 101.005 7.552 46.357 1.00 49.30 O HETATM 1169 O HOH 2 109.287 6.762 28.807 1.00 34.64 O HETATM 1170 O HOH 3 94.606 0.477 12.624 1.00 48.70 O HETATM 1171 O HOH 4 82.202 10.890 40.134 1.00 29.67 O HETATM 1172 O HOH 5 82.491 16.033 29.995 1.00 29.75 O HETATM 1173 O HOH 6 105.042 5.508 38.919 1.00 35.62 O HETATM 1174 O HOH 7 81.547 16.570 33.973 1.00 43.17 O HETATM 1175 O HOH 8 86.982 22.142 45.006 1.00 32.96 O HETATM 1176 O HOH 9 90.649 5.785 40.481 1.00 17.85 O HETATM 1177 O HOH 10 97.427 1.271 39.145 1.00 19.59 O HETATM 1178 O HOH 11 91.560 -3.600 43.035 1.00 26.28 O HETATM 1179 O HOH 12 93.071 -6.329 40.093 1.00 35.23 O HETATM 1180 O HOH 13 101.501 18.686 28.752 1.00 37.09 O HETATM 1181 O HOH 14 101.235 3.845 44.835 1.00 29.32 O HETATM 1182 O HOH 15 97.045 -4.041 15.158 1.00 47.21 O HETATM 1183 O HOH 16 88.712 7.404 26.752 1.00 31.33 O HETATM 1184 O HOH 17 96.700 7.053 40.573 1.00 19.96 O HETATM 1185 O HOH 18 95.958 -3.864 31.620 1.00 32.74 O HETATM 1186 O HOH 19 103.199 11.766 41.876 1.00 34.14 O HETATM 1187 O HOH 20 101.279 2.576 51.739 1.00 29.44 O HETATM 1188 O HOH 21 85.406 19.978 41.704 1.00 34.95 O HETATM 1189 O HOH 22 95.877 -3.566 37.090 1.00 39.58 O HETATM 1190 O HOH 23 82.988 4.674 48.243 1.00 44.77 O HETATM 1191 O HOH 24 87.144 7.053 30.123 1.00 21.89 O HETATM 1192 O HOH 25 86.305 21.465 25.358 1.00 47.07 O HETATM 1193 O HOH 26 102.152 5.927 48.541 1.00 42.31 O HETATM 1194 O HOH 27 92.649 19.632 28.608 1.00 28.62 O HETATM 1195 O HOH 28 83.460 16.735 46.440 1.00 41.89 O HETATM 1196 O HOH 29 92.364 5.893 38.321 1.00 19.99 O HETATM 1197 O HOH 30 92.534 -1.707 30.973 1.00 31.25 O HETATM 1198 O HOH 31 93.075 3.111 39.286 1.00 16.91 O HETATM 1199 O HOH 32 96.313 0.368 47.317 1.00 32.67 O HETATM 1200 O HOH 33 106.848 13.920 29.586 1.00 34.33 O HETATM 1201 O HOH 34 86.787 1.077 34.987 1.00 32.01 O HETATM 1202 O HOH 35 103.587 15.488 23.024 1.00 39.26 O HETATM 1203 O HOH 36 89.021 0.385 28.786 1.00 18.84 O HETATM 1204 O HOH 37 105.973 -1.218 22.109 1.00 44.02 O HETATM 1205 O HOH 38 89.241 -3.112 53.302 1.00 41.19 O HETATM 1206 O HOH 39 95.443 -0.863 17.422 1.00 32.64 O HETATM 1207 O HOH 40 95.817 1.002 42.996 1.00 24.11 O HETATM 1208 O HOH 41 95.061 6.248 38.577 1.00 21.08 O HETATM 1209 O HOH 42 84.236 17.695 39.856 1.00 30.51 O HETATM 1210 O HOH 43 105.208 13.109 40.505 1.00 38.37 O HETATM 1211 O HOH 44 82.447 -1.925 40.914 1.00 38.22 O HETATM 1212 O HOH 45 87.344 15.188 28.978 1.00 38.37 O HETATM 1213 O HOH 46 85.180 13.316 48.738 1.00 45.27 O HETATM 1214 O HOH 47 80.807 8.037 40.558 1.00 26.69 O HETATM 1215 O HOH 48 101.817 17.002 37.845 1.00 22.79 O HETATM 1216 O HOH 49 98.329 7.940 43.496 1.00 34.13 O HETATM 1217 O HOH 50 88.291 -1.261 37.223 1.00 20.87 O HETATM 1218 O HOH 51 99.866 0.696 50.537 1.00 36.81 O HETATM 1219 O HOH 52 98.683 4.682 8.808 1.00 46.90 O HETATM 1220 O HOH 53 90.762 -0.905 49.338 1.00 36.25 O HETATM 1221 O HOH 54 87.962 17.704 45.917 1.00 33.73 O HETATM 1222 O HOH 55 114.192 10.402 17.107 1.00 27.84 O HETATM 1223 O HOH 56 84.127 8.299 46.792 1.00 37.42 O HETATM 1224 O HOH 57 101.379 20.321 39.787 1.00 40.35 O HETATM 1225 O HOH 58 98.383 7.136 45.891 1.00 32.48 O HETATM 1226 O HOH 59 98.030 23.248 39.898 1.00 34.39 O HETATM 1227 O HOH 60 83.892 20.236 45.485 1.00 43.21 O HETATM 1228 O HOH 61 89.685 22.833 22.635 1.00 47.44 O HETATM 1229 O HOH 62 102.674 -4.060 34.150 1.00 43.42 O HETATM 1230 O HOH 63 105.097 20.788 32.296 1.00 44.00 O HETATM 1231 O HOH 64 96.132 18.343 22.735 1.00 44.12 O HETATM 1232 O HOH 65 95.710 2.732 40.625 1.00 19.11 O HETATM 1233 O HOH 66 105.386 8.344 42.533 1.00 36.04 O HETATM 1234 O HOH 67 89.414 15.048 44.638 1.00 20.29 O HETATM 1235 O HOH 68 94.518 14.907 12.640 1.00 42.81 O HETATM 1236 O HOH 69 99.430 15.246 17.549 1.00 46.42 O HETATM 1237 O HOH 70 81.933 0.446 49.833 1.00 42.66 O HETATM 1238 O HOH 71 107.193 9.896 26.864 1.00 37.31 O HETATM 1239 O HOH 72 88.898 12.508 45.655 1.00 46.41 O HETATM 1240 O HOH 73 100.629 21.538 32.389 1.00 23.50 O HETATM 1241 O HOH 74 94.671 0.418 15.043 1.00 38.58 O HETATM 1242 O HOH 75 97.933 -9.333 22.913 1.00 41.98 O HETATM 1243 O HOH 76 106.974 4.682 35.198 1.00 43.65 O HETATM 1244 O HOH 77 98.050 10.312 54.538 1.00 42.49 O HETATM 1245 O HOH 78 110.643 2.245 19.604 1.00 36.87 O HETATM 1246 O HOH 79 95.852 15.122 48.237 1.00 45.50 O HETATM 1247 O HOH 80 86.341 4.789 51.830 1.00 36.04 O HETATM 1248 O HOH 81 111.364 0.572 32.165 1.00 43.25 O HETATM 1249 O HOH 82 94.962 -3.568 28.048 1.00 50.09 O HETATM 1250 O HOH 83 93.032 20.469 25.972 1.00 40.34 O HETATM 1251 O HOH 84 85.982 -1.984 38.225 1.00 31.71 O HETATM 1252 O HOH 85 88.347 19.996 31.662 1.00 40.38 O HETATM 1253 O HOH 86 96.458 -4.501 34.666 1.00 48.29 O HETATM 1254 O HOH 87 88.489 -5.676 34.592 1.00 41.15 O HETATM 1255 O HOH 88 103.926 -9.462 20.964 1.00 47.17 O HETATM 1256 O HOH 89 106.463 20.746 23.997 1.00 53.28 O HETATM 1257 O HOH 90 104.388 -8.694 23.424 1.00 44.42 O HETATM 1258 O HOH 91 98.296 21.718 28.637 1.00 45.42 O HETATM 1259 O HOH 92 93.717 -5.056 42.615 1.00 40.15 O HETATM 1260 O HOH 93 87.191 18.315 28.493 1.00 44.93 O HETATM 1261 O HOH 94 102.066 20.634 30.335 1.00 33.03 O HETATM 1262 O HOH 95 100.390 1.065 45.778 1.00 45.18 O HETATM 1263 O HOH 96 99.341 19.289 27.331 1.00 48.18 O HETATM 1264 O HOH 97 98.226 -1.280 39.983 1.00 31.41 O HETATM 1265 O HOH 98 90.634 21.248 29.389 1.00 37.67 O HETATM 1266 O HOH 99 92.948 -2.101 50.732 1.00 41.94 O HETATM 1267 O HOH 100 101.915 22.542 39.683 1.00 47.39 O HETATM 1268 O HOH 101 102.749 11.494 51.446 1.00 27.75 O HETATM 1269 O HOH 102 97.232 -1.365 42.862 1.00 34.71 O HETATM 1270 O HOH 103 107.713 11.109 29.564 1.00 49.14 O HETATM 1271 O HOH 104 80.059 3.268 46.883 1.00 50.24 O HETATM 1272 C01 JVY A 105 112.063 8.058 14.946 1.00 0.04 C HETATM 1273 C02 JVY A 105 112.870 8.490 13.900 1.00 -0.05 C HETATM 1274 C03 JVY A 105 112.980 7.760 12.715 1.00 -0.03 C HETATM 1275 C04 JVY A 105 112.274 6.571 12.557 1.00 -0.03 C HETATM 1276 C05 JVY A 105 111.454 6.107 13.595 1.00 0.12 C HETATM 1277 C06 JVY A 105 111.339 6.842 14.815 1.00 0.03 C HETATM 1278 C26 JVY A 105 110.546 6.490 15.942 1.00 -0.04 C HETATM 1279 C25 JVY A 105 110.505 7.293 17.083 1.00 -0.03 C HETATM 1280 C24 JVY A 105 111.255 8.451 17.087 1.00 0.01 C HETATM 1281 N23 JVY A 105 112.023 8.836 16.044 1.00 -0.30 N HETATM 1282 H19 JVY A 105 111.227 9.082 17.968 1.00 0.09 H HETATM 1283 H20 JVY A 105 109.902 7.015 17.940 1.00 0.07 H HETATM 1284 H21 JVY A 105 109.961 5.578 15.914 1.00 0.08 H HETATM 1285 S08 JVY A 105 110.606 4.558 13.316 1.00 0.07 S HETATM 1286 N09 JVY A 105 108.954 4.905 13.472 1.00 -0.24 N HETATM 1287 C18 JVY A 105 108.257 5.787 12.519 1.00 0.04 C HETATM 1288 C19 JVY A 105 106.865 5.214 12.231 1.00 -0.03 C HETATM 1289 C20 JVY A 105 105.907 6.409 12.293 1.00 -0.05 C HETATM 1290 C21 JVY A 105 106.785 7.648 12.426 1.00 -0.05 C HETATM 1291 C22 JVY A 105 107.990 7.130 13.195 1.00 -0.03 C HETATM 1292 H17 JVY A 105 108.851 7.807 13.089 1.00 0.03 H HETATM 1293 H18 JVY A 105 107.755 6.999 14.262 1.00 0.03 H HETATM 1294 H15 JVY A 105 106.268 8.441 12.987 1.00 0.03 H HETATM 1295 H16 JVY A 105 107.081 8.031 11.438 1.00 0.03 H HETATM 1296 H13 JVY A 105 105.240 6.319 13.163 1.00 0.03 H HETATM 1297 H14 JVY A 105 105.305 6.464 11.374 1.00 0.03 H HETATM 1298 H11 JVY A 105 106.594 4.465 12.989 1.00 0.03 H HETATM 1299 H12 JVY A 105 106.839 4.752 11.233 1.00 0.03 H HETATM 1300 H10 JVY A 105 108.844 5.907 11.597 1.00 0.05 H HETATM 1301 H3 JVY A 105 108.440 4.502 14.229 1.00 0.17 H HETATM 1302 O10 JVY A 105 110.977 3.703 14.417 1.00 -0.15 O HETATM 1303 O11 JVY A 105 110.879 4.099 11.972 1.00 -0.15 O HETATM 1304 H2 JVY A 105 112.358 6.006 11.636 1.00 0.06 H HETATM 1305 C07 JVY A 105 113.821 8.239 11.643 1.00 0.02 C HETATM 1306 C12 JVY A 105 114.739 7.475 10.954 1.00 0.15 C HETATM 1307 O13 JVY A 105 115.340 8.257 10.008 1.00 -0.17 O HETATM 1308 N14 JVY A 105 114.825 9.544 10.063 1.00 -0.17 N HETATM 1309 C15 JVY A 105 113.913 9.523 11.050 1.00 0.03 C HETATM 1310 C16 JVY A 105 113.154 10.739 11.408 1.00 -0.03 C HETATM 1311 H4 JVY A 105 113.462 11.569 10.755 1.00 0.04 H HETATM 1312 H5 JVY A 105 113.357 11.003 12.456 1.00 0.04 H HETATM 1313 H6 JVY A 105 112.078 10.551 11.279 1.00 0.04 H HETATM 1314 C17 JVY A 105 115.171 6.068 11.033 1.00 0.01 C HETATM 1315 H7 JVY A 105 115.946 5.879 10.276 1.00 0.05 H HETATM 1316 H8 JVY A 105 114.310 5.409 10.848 1.00 0.05 H HETATM 1317 H9 JVY A 105 115.580 5.865 12.034 1.00 0.05 H HETATM 1318 H1 JVY A 105 113.426 9.414 14.007 1.00 0.05 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1272 1273 1277 1281 CONECT 1273 1272 1274 1318 CONECT 1274 1273 1275 1305 CONECT 1275 1274 1276 1304 CONECT 1276 1275 1277 1285 CONECT 1277 1272 1276 1278 CONECT 1278 1277 1279 1284 CONECT 1279 1278 1280 1283 CONECT 1280 1279 1281 1282 CONECT 1281 1272 1280 CONECT 1282 1280 CONECT 1283 1279 CONECT 1284 1278 CONECT 1285 1276 1286 1302 1303 CONECT 1286 1285 1287 1301 CONECT 1287 1286 1288 1291 1300 CONECT 1288 1287 1289 1298 1299 CONECT 1289 1288 1290 1296 1297 CONECT 1290 1289 1291 1294 1295 CONECT 1291 1287 1290 1292 1293 CONECT 1292 1291 CONECT 1293 1291 CONECT 1294 1290 CONECT 1295 1290 CONECT 1296 1289 CONECT 1297 1289 CONECT 1298 1288 CONECT 1299 1288 CONECT 1300 1287 CONECT 1301 1286 CONECT 1302 1285 CONECT 1303 1285 CONECT 1304 1275 CONECT 1305 1274 1306 1309 CONECT 1306 1305 1307 1314 CONECT 1307 1306 1308 CONECT 1308 1307 1309 CONECT 1309 1305 1308 1310 CONECT 1310 1309 1311 1312 1313 CONECT 1311 1310 CONECT 1312 1310 CONECT 1313 1310 CONECT 1314 1306 1315 1316 1317 CONECT 1315 1314 CONECT 1316 1314 CONECT 1317 1314 CONECT 1318 1273 MASTER 0 0 0 0 0 0 0 0 1317 1 51 9 END
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Structure:
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Related entries of code: 6mo9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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PDBbind
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RCSB PDB
PDBbind
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6mo9
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bromodomain-containing protein 2
Ligand Name
JVY
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
IC50=1542nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Bioorg. Med. Chem. Vol. 27: pp. 457-469
Ligand Properties
Formula
C
1
9
H
2
1
N
3
O
3
S
Molecular Weight
371.453
Exact Mass
371.130
No. of atoms
47
No. of bonds
50
Polar Surface Area
93.47
LOGP Value
3.30 (
Computed with XLOGP3
)
5.20 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 4
Canonical SMILES
Cc1onc(c1c1cc2ncccc2c(c1)S(=O)(=O)NC1CCCC1)C
InChI String
InChI=1S/C19H21N3O3S/c1-12-19(13(2)25-21-12)14-10-17-16(8-5-9-20-17)18(11-14)26(23,24)22-15-6-3-4-7-15/h5,8-11,15,22H,3-4,6-7H2,1-2H3
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):
P25440
Entrez Gene ID
NCBI Entrez Gene ID:
6046
ASD
Information of known allosteric effects of PDB entries
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