Browse entries in the PDBbind-CN Database
HEADER 4YK0_COMPLEX COMPND 4YK0_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 113 ILE PHE LYS PRO GLU GLU LEU ARG GLN ALA LEU MET PRO SEQRES 2 A 113 THR LEU GLU ALA LEU TYR ARG GLN ASP PRO GLU SER LEU SEQRES 3 A 113 PRO PHE ARG GLN PRO VAL ASP PRO GLN LEU LEU GLY ILE SEQRES 4 A 113 PRO ASP TYR PHE ASP ILE VAL LYS ASN PRO MET ASP LEU SEQRES 5 A 113 SER THR ILE LYS ARG LYS LEU ASP THR GLY GLN TYR GLN SEQRES 6 A 113 GLU PRO TRP GLN TYR VAL ASP ASP VAL TRP LEU MET PHE SEQRES 7 A 113 ASN ASN ALA TRP LEU TYR ASN ARG LYS THR SER ARG VAL SEQRES 8 A 113 TYR LYS PHE CYS SER LYS LEU ALA GLU VAL PHE GLU GLN SEQRES 9 A 113 GLU ILE ASP PRO VAL MET GLN SER LEU HET UNN A 219 25 ATOM 1 N ILE A1084 -14.744 33.704 -33.566 1.00 43.60 N ATOM 2 CA ILE A1084 -15.559 33.557 -32.316 1.00 41.89 C ATOM 3 C ILE A1084 -15.454 32.183 -31.588 1.00 36.83 C ATOM 4 O ILE A1084 -15.306 32.202 -30.359 1.00 36.82 O ATOM 5 CB ILE A1084 -17.011 34.121 -32.504 1.00 42.57 C ATOM 6 CG1 ILE A1084 -17.683 34.372 -31.159 1.00 43.24 C ATOM 7 CG2 ILE A1084 -17.895 33.228 -33.362 1.00 43.21 C ATOM 8 CD1 ILE A1084 -18.917 35.240 -31.236 1.00 43.51 C ATOM 9 HN3 ILE A1084 -15.041 32.987 -34.258 1.00 0.00 H ATOM 10 HN2 ILE A1084 -13.737 33.573 -33.339 1.00 0.00 H ATOM 11 HN1 ILE A1084 -14.890 34.654 -33.964 1.00 0.00 H ATOM 12 N PHE A1085 -15.479 31.008 -32.261 1.00 33.55 N ATOM 13 CA PHE A1085 -15.259 29.693 -31.583 1.00 30.01 C ATOM 14 C PHE A1085 -13.923 28.993 -31.892 1.00 27.94 C ATOM 15 O PHE A1085 -13.557 28.816 -33.050 1.00 31.54 O ATOM 16 CB PHE A1085 -16.417 28.737 -31.912 1.00 28.83 C ATOM 17 CG PHE A1085 -17.746 29.234 -31.401 1.00 28.21 C ATOM 18 CD1 PHE A1085 -18.058 29.096 -30.057 1.00 27.89 C ATOM 19 CD2 PHE A1085 -18.613 29.903 -32.219 1.00 28.18 C ATOM 20 CE1 PHE A1085 -19.255 29.557 -29.551 1.00 27.78 C ATOM 21 CE2 PHE A1085 -19.807 30.385 -31.723 1.00 28.88 C ATOM 22 CZ PHE A1085 -20.131 30.207 -30.383 1.00 28.72 C ATOM 23 H PHE A1085 -15.657 31.020 -33.285 1.00 0.00 H ATOM 24 N LYS A1086 -13.162 28.647 -30.861 1.00 25.87 N ATOM 25 CA LYS A1086 -11.943 27.865 -31.056 1.00 24.08 C ATOM 26 C LYS A1086 -12.334 26.408 -31.147 1.00 22.57 C ATOM 27 O LYS A1086 -13.190 25.976 -30.395 1.00 21.79 O ATOM 28 CB LYS A1086 -11.024 28.051 -29.897 1.00 24.80 C ATOM 29 CG LYS A1086 -10.624 29.530 -29.701 1.00 26.35 C ATOM 30 CD LYS A1086 -10.111 29.691 -28.291 1.00 26.97 C ATOM 31 H LYS A1086 -13.437 28.937 -29.901 1.00 0.00 H ATOM 32 N PRO A1087 -11.707 25.656 -32.073 1.00 21.36 N ATOM 33 CA PRO A1087 -12.277 24.336 -32.406 1.00 20.00 C ATOM 34 C PRO A1087 -12.279 23.369 -31.242 1.00 18.60 C ATOM 35 O PRO A1087 -13.299 22.663 -31.005 1.00 18.36 O ATOM 36 CB PRO A1087 -11.373 23.815 -33.546 1.00 20.69 C ATOM 37 CG PRO A1087 -10.231 24.806 -33.647 1.00 21.70 C ATOM 38 CD PRO A1087 -10.675 26.095 -33.041 1.00 21.95 C ATOM 39 N GLU A1088 -11.170 23.314 -30.522 1.00 17.89 N ATOM 40 CA GLU A1088 -11.097 22.378 -29.393 1.00 17.19 C ATOM 41 C GLU A1088 -12.002 22.782 -28.222 1.00 17.12 C ATOM 42 O GLU A1088 -12.453 21.914 -27.450 1.00 17.12 O ATOM 43 CB GLU A1088 -9.643 22.177 -28.949 1.00 17.40 C ATOM 44 CG GLU A1088 -9.081 23.252 -28.016 1.00 17.62 C ATOM 45 CD GLU A1088 -8.754 24.633 -28.623 1.00 18.09 C ATOM 46 OE1 GLU A1088 -9.060 24.946 -29.814 1.00 17.87 O ATOM 47 OE2 GLU A1088 -8.181 25.449 -27.841 1.00 18.77 O ATOM 48 H GLU A1088 -10.361 23.926 -30.753 1.00 0.00 H ATOM 49 N GLU A1089 -12.242 24.088 -28.070 1.00 17.76 N ATOM 50 CA GLU A1089 -13.192 24.594 -27.076 1.00 18.31 C ATOM 51 C GLU A1089 -14.642 24.232 -27.417 1.00 17.42 C ATOM 52 O GLU A1089 -15.391 23.811 -26.542 1.00 16.75 O ATOM 53 CB GLU A1089 -13.044 26.089 -26.861 1.00 20.47 C ATOM 54 CG GLU A1089 -11.716 26.403 -26.160 1.00 22.59 C ATOM 55 CD GLU A1089 -11.547 27.886 -25.831 1.00 25.65 C ATOM 56 OE1 GLU A1089 -12.325 28.735 -26.341 1.00 30.47 O ATOM 57 OE2 GLU A1089 -10.627 28.212 -25.048 1.00 29.54 O ATOM 58 H GLU A1089 -11.739 24.766 -28.676 1.00 0.00 H ATOM 59 N LEU A1090 -14.979 24.338 -28.694 1.00 17.22 N ATOM 60 CA LEU A1090 -16.310 23.999 -29.145 1.00 17.05 C ATOM 61 C LEU A1090 -16.542 22.491 -28.942 1.00 16.38 C ATOM 62 O LEU A1090 -17.579 22.042 -28.408 1.00 15.33 O ATOM 63 CB LEU A1090 -16.460 24.402 -30.607 1.00 18.26 C ATOM 64 CG LEU A1090 -17.834 24.240 -31.200 1.00 19.11 C ATOM 65 CD1 LEU A1090 -18.828 24.867 -30.229 1.00 20.60 C ATOM 66 CD2 LEU A1090 -17.994 24.866 -32.575 1.00 19.98 C ATOM 67 H LEU A1090 -14.275 24.670 -29.383 1.00 0.00 H ATOM 68 N ARG A1091 -15.543 21.701 -29.353 1.00 15.84 N ATOM 69 CA ARG A1091 -15.576 20.260 -29.130 1.00 15.68 C ATOM 70 C ARG A1091 -15.793 19.942 -27.649 1.00 15.44 C ATOM 71 O ARG A1091 -16.618 19.101 -27.308 1.00 14.40 O ATOM 72 CB ARG A1091 -14.308 19.595 -29.671 1.00 15.91 C ATOM 73 CG ARG A1091 -14.211 18.095 -29.466 1.00 15.64 C ATOM 74 CD ARG A1091 -12.911 17.550 -30.055 1.00 16.97 C ATOM 75 NE ARG A1091 -12.880 16.100 -29.943 1.00 17.87 N ATOM 76 CZ ARG A1091 -11.945 15.341 -29.345 1.00 19.84 C ATOM 77 NH1 ARG A1091 -10.876 15.853 -28.749 1.00 21.75 N ATOM 78 NH2 ARG A1091 -12.110 14.003 -29.363 1.00 19.79 N ATOM 79 HE ARG A1091 -13.676 15.590 -30.377 1.00 0.00 H ATOM 80 HH12 ARG A1091 -10.180 15.224 -28.300 1.00 0.00 H ATOM 81 HH11 ARG A1091 -10.734 16.883 -28.731 1.00 0.00 H ATOM 82 HH22 ARG A1091 -11.406 13.386 -28.910 1.00 0.00 H ATOM 83 HH21 ARG A1091 -12.941 13.588 -29.830 1.00 0.00 H ATOM 84 H ARG A1091 -14.727 22.123 -29.841 1.00 0.00 H ATOM 85 N GLN A1092 -15.043 20.609 -26.748 1.00 16.55 N ATOM 86 CA GLN A1092 -15.066 20.185 -25.357 1.00 17.73 C ATOM 87 C GLN A1092 -16.442 20.500 -24.790 1.00 16.69 C ATOM 88 O GLN A1092 -16.945 19.769 -23.934 1.00 17.24 O ATOM 89 CB GLN A1092 -13.942 20.881 -24.543 1.00 20.64 C ATOM 90 CG GLN A1092 -13.772 20.364 -23.100 1.00 23.76 C ATOM 91 CD GLN A1092 -12.661 21.054 -22.279 1.00 27.24 C ATOM 92 OE1 GLN A1092 -11.469 20.818 -22.483 1.00 31.39 O ATOM 93 NE2 GLN A1092 -13.059 21.870 -21.311 1.00 31.55 N ATOM 94 HE22 GLN A1092 -14.073 22.048 -21.165 1.00 0.00 H ATOM 95 HE21 GLN A1092 -12.357 22.331 -20.698 1.00 0.00 H ATOM 96 H GLN A1092 -14.456 21.415 -27.044 1.00 0.00 H ATOM 97 N ALA A1093 -17.025 21.612 -25.232 1.00 15.94 N ATOM 98 CA ALA A1093 -18.285 22.090 -24.682 1.00 15.43 C ATOM 99 C ALA A1093 -19.393 21.171 -25.120 1.00 14.43 C ATOM 100 O ALA A1093 -20.265 20.885 -24.349 1.00 14.13 O ATOM 101 CB ALA A1093 -18.620 23.514 -25.142 1.00 16.19 C ATOM 102 H ALA A1093 -16.567 22.155 -25.992 1.00 0.00 H ATOM 103 N LEU A1094 -19.326 20.697 -26.358 1.00 13.78 N ATOM 104 CA LEU A1094 -20.441 19.931 -26.921 1.00 13.32 C ATOM 105 C LEU A1094 -20.282 18.440 -26.711 1.00 13.17 C ATOM 106 O LEU A1094 -21.294 17.718 -26.647 1.00 12.52 O ATOM 107 CB LEU A1094 -20.580 20.219 -28.400 1.00 13.35 C ATOM 108 CG LEU A1094 -21.000 21.649 -28.740 1.00 13.62 C ATOM 109 CD1 LEU A1094 -20.903 21.904 -30.203 1.00 13.84 C ATOM 110 CD2 LEU A1094 -22.370 21.962 -28.162 1.00 13.56 C ATOM 111 H LEU A1094 -18.476 20.870 -26.932 1.00 0.00 H ATOM 112 N MET A1095 -19.065 17.940 -26.640 1.00 12.62 N ATOM 113 CA MET A1095 -18.883 16.492 -26.477 1.00 12.97 C ATOM 114 C MET A1095 -19.703 15.784 -25.374 1.00 12.58 C ATOM 115 O MET A1095 -20.188 14.669 -25.591 1.00 12.17 O ATOM 116 CB MET A1095 -17.394 16.172 -26.290 1.00 13.69 C ATOM 117 CG MET A1095 -17.099 14.704 -26.441 1.00 14.06 C ATOM 118 SD MET A1095 -17.444 13.944 -28.023 1.00 14.47 S ATOM 119 CE MET A1095 -16.151 14.730 -29.034 1.00 14.28 C ATOM 120 H MET A1095 -18.238 18.567 -26.699 1.00 0.00 H ATOM 121 N PRO A1096 -19.875 16.409 -24.201 1.00 12.64 N ATOM 122 CA PRO A1096 -20.606 15.653 -23.182 1.00 12.93 C ATOM 123 C PRO A1096 -22.052 15.377 -23.608 1.00 12.49 C ATOM 124 O PRO A1096 -22.607 14.381 -23.165 1.00 12.26 O ATOM 125 CB PRO A1096 -20.586 16.553 -21.966 1.00 13.45 C ATOM 126 CG PRO A1096 -19.329 17.350 -22.164 1.00 13.45 C ATOM 127 CD PRO A1096 -19.193 17.604 -23.623 1.00 13.23 C ATOM 128 N THR A1097 -22.600 16.255 -24.439 1.00 12.48 N ATOM 129 CA THR A1097 -23.956 16.057 -24.898 1.00 12.26 C ATOM 130 C THR A1097 -24.037 14.881 -25.857 1.00 12.05 C ATOM 131 O THR A1097 -25.027 14.140 -25.820 1.00 11.74 O ATOM 132 CB THR A1097 -24.572 17.342 -25.513 1.00 12.42 C ATOM 133 OG1 THR A1097 -23.965 17.623 -26.778 1.00 12.73 O ATOM 134 CG2 THR A1097 -24.394 18.520 -24.598 1.00 12.94 C ATOM 135 HG1 THR A1097 -22.992 17.756 -26.653 1.00 0.00 H ATOM 136 H THR A1097 -22.056 17.082 -24.758 1.00 0.00 H ATOM 137 N LEU A1098 -22.994 14.668 -26.650 1.00 11.98 N ATOM 138 CA LEU A1098 -22.945 13.538 -27.564 1.00 12.10 C ATOM 139 C LEU A1098 -22.655 12.239 -26.809 1.00 11.92 C ATOM 140 O LEU A1098 -23.240 11.173 -27.070 1.00 11.77 O ATOM 141 CB LEU A1098 -21.881 13.778 -28.631 1.00 12.37 C ATOM 142 CG LEU A1098 -21.737 12.764 -29.747 1.00 12.77 C ATOM 143 CD1 LEU A1098 -23.029 12.576 -30.475 1.00 13.05 C ATOM 144 CD2 LEU A1098 -20.624 13.181 -30.724 1.00 13.50 C ATOM 145 H LEU A1098 -22.190 15.327 -26.617 1.00 0.00 H ATOM 146 N GLU A1099 -21.743 12.318 -25.871 1.00 12.08 N ATOM 147 CA GLU A1099 -21.419 11.159 -24.993 1.00 12.04 C ATOM 148 C GLU A1099 -22.678 10.670 -24.235 1.00 11.67 C ATOM 149 O GLU A1099 -22.869 9.471 -24.075 1.00 11.22 O ATOM 150 CB GLU A1099 -20.320 11.588 -23.987 1.00 13.11 C ATOM 151 CG GLU A1099 -18.957 11.651 -24.642 1.00 14.09 C ATOM 152 CD GLU A1099 -17.861 12.157 -23.722 1.00 15.33 C ATOM 153 OE1 GLU A1099 -18.219 12.825 -22.725 1.00 19.49 O ATOM 154 OE2 GLU A1099 -16.670 11.914 -24.034 1.00 15.70 O ATOM 155 H GLU A1099 -21.232 13.214 -25.736 1.00 0.00 H ATOM 156 N ALA A1100 -23.543 11.595 -23.810 1.00 11.37 N ATOM 157 CA ALA A1100 -24.786 11.196 -23.146 1.00 11.11 C ATOM 158 C ALA A1100 -25.703 10.382 -24.077 1.00 10.64 C ATOM 159 O ALA A1100 -26.400 9.467 -23.638 1.00 10.97 O ATOM 160 CB ALA A1100 -25.552 12.401 -22.594 1.00 11.41 C ATOM 161 H ALA A1100 -23.333 12.604 -23.951 1.00 0.00 H ATOM 162 N LEU A1101 -25.701 10.744 -25.341 1.00 10.16 N ATOM 163 CA LEU A1101 -26.460 9.968 -26.323 1.00 9.86 C ATOM 164 C LEU A1101 -25.880 8.570 -26.458 1.00 9.77 C ATOM 165 O LEU A1101 -26.597 7.553 -26.400 1.00 9.78 O ATOM 166 CB LEU A1101 -26.550 10.671 -27.655 1.00 9.78 C ATOM 167 CG LEU A1101 -27.193 12.065 -27.672 1.00 10.06 C ATOM 168 CD1 LEU A1101 -27.359 12.605 -29.041 1.00 10.25 C ATOM 169 CD2 LEU A1101 -28.497 12.076 -26.892 1.00 10.15 C ATOM 170 H LEU A1101 -25.161 11.580 -25.643 1.00 0.00 H ATOM 171 N TYR A1102 -24.571 8.497 -26.613 1.00 9.76 N ATOM 172 CA TYR A1102 -23.916 7.190 -26.703 1.00 10.20 C ATOM 173 C TYR A1102 -24.086 6.303 -25.441 1.00 10.89 C ATOM 174 O TYR A1102 -24.113 5.066 -25.537 1.00 10.89 O ATOM 175 CB TYR A1102 -22.406 7.365 -26.973 1.00 10.07 C ATOM 176 CG TYR A1102 -21.965 7.432 -28.400 1.00 10.11 C ATOM 177 CD1 TYR A1102 -21.713 6.293 -29.122 1.00 10.06 C ATOM 178 CD2 TYR A1102 -21.802 8.654 -29.019 1.00 9.98 C ATOM 179 CE1 TYR A1102 -21.311 6.354 -30.455 1.00 10.07 C ATOM 180 CE2 TYR A1102 -21.354 8.754 -30.333 1.00 9.95 C ATOM 181 CZ TYR A1102 -21.178 7.597 -31.070 1.00 10.11 C ATOM 182 OH TYR A1102 -20.706 7.634 -32.337 1.00 10.30 O ATOM 183 HH TYR A1102 -20.651 6.712 -32.694 1.00 0.00 H ATOM 184 H TYR A1102 -24.005 9.367 -26.671 1.00 0.00 H ATOM 185 N ARG A1103 -24.231 6.930 -24.265 1.00 11.87 N ATOM 186 CA ARG A1103 -24.429 6.226 -23.006 1.00 13.09 C ATOM 187 C ARG A1103 -25.738 5.426 -22.976 1.00 12.37 C ATOM 188 O ARG A1103 -25.885 4.487 -22.209 1.00 12.85 O ATOM 189 CB ARG A1103 -24.386 7.250 -21.880 1.00 14.78 C ATOM 190 CG ARG A1103 -24.393 6.759 -20.465 1.00 18.09 C ATOM 191 CD ARG A1103 -24.054 7.919 -19.458 1.00 19.87 C ATOM 192 NE ARG A1103 -22.860 8.681 -19.827 1.00 22.41 N ATOM 193 CZ ARG A1103 -22.720 10.030 -19.990 1.00 23.14 C ATOM 194 NH1 ARG A1103 -21.518 10.490 -20.385 1.00 25.95 N ATOM 195 NH2 ARG A1103 -23.671 10.930 -19.767 1.00 24.83 N ATOM 196 HE ARG A1103 -22.000 8.118 -19.987 1.00 0.00 H ATOM 197 HH12 ARG A1103 -21.371 11.511 -20.520 1.00 0.00 H ATOM 198 HH11 ARG A1103 -20.737 9.825 -20.555 1.00 0.00 H ATOM 199 HH22 ARG A1103 -23.476 11.940 -19.918 1.00 0.00 H ATOM 200 HH21 ARG A1103 -24.610 10.624 -19.442 1.00 0.00 H ATOM 201 H ARG A1103 -24.201 7.969 -24.251 1.00 0.00 H ATOM 202 N GLN A1104 -26.712 5.831 -23.809 1.00 11.51 N ATOM 203 CA GLN A1104 -27.988 5.158 -23.795 1.00 11.35 C ATOM 204 C GLN A1104 -27.902 3.770 -24.448 1.00 11.31 C ATOM 205 O GLN A1104 -27.657 3.654 -25.666 1.00 10.99 O ATOM 206 CB GLN A1104 -29.053 6.005 -24.475 1.00 11.08 C ATOM 207 CG GLN A1104 -29.128 7.447 -23.982 1.00 11.38 C ATOM 208 CD GLN A1104 -29.239 7.520 -22.464 1.00 11.88 C ATOM 209 OE1 GLN A1104 -30.087 6.865 -21.881 1.00 12.26 O ATOM 210 NE2 GLN A1104 -28.405 8.323 -21.824 1.00 12.22 N ATOM 211 HE22 GLN A1104 -27.695 8.866 -22.356 1.00 0.00 H ATOM 212 HE21 GLN A1104 -28.459 8.411 -20.789 1.00 0.00 H ATOM 213 H GLN A1104 -26.547 6.625 -24.460 1.00 0.00 H ATOM 214 N ASP A1105 -28.152 2.732 -23.658 1.00 11.47 N ATOM 215 CA ASP A1105 -28.108 1.366 -24.128 1.00 11.69 C ATOM 216 C ASP A1105 -29.392 0.722 -23.624 1.00 11.21 C ATOM 217 O ASP A1105 -29.567 0.632 -22.417 1.00 11.30 O ATOM 218 CB ASP A1105 -26.868 0.720 -23.524 1.00 13.13 C ATOM 219 CG ASP A1105 -26.719 -0.697 -23.818 1.00 14.55 C ATOM 220 OD1 ASP A1105 -27.599 -1.380 -24.377 1.00 15.80 O ATOM 221 OD2 ASP A1105 -25.698 -1.195 -23.260 1.00 19.13 O ATOM 222 H ASP A1105 -28.389 2.909 -22.661 1.00 0.00 H ATOM 223 N PRO A1106 -30.313 0.316 -24.513 1.00 10.67 N ATOM 224 CA PRO A1106 -30.053 0.021 -25.948 1.00 10.18 C ATOM 225 C PRO A1106 -30.392 1.142 -26.918 1.00 9.52 C ATOM 226 O PRO A1106 -30.193 0.979 -28.111 1.00 9.41 O ATOM 227 CB PRO A1106 -31.011 -1.133 -26.230 1.00 10.49 C ATOM 228 CG PRO A1106 -32.176 -0.852 -25.345 1.00 10.74 C ATOM 229 CD PRO A1106 -31.560 -0.306 -24.057 1.00 10.95 C ATOM 230 N GLU A1107 -30.836 2.294 -26.430 1.00 9.20 N ATOM 231 CA GLU A1107 -31.477 3.286 -27.338 1.00 8.83 C ATOM 232 C GLU A1107 -30.553 3.891 -28.385 1.00 8.57 C ATOM 233 O GLU A1107 -31.034 4.227 -29.450 1.00 8.42 O ATOM 234 CB GLU A1107 -32.247 4.337 -26.566 1.00 8.92 C ATOM 235 CG GLU A1107 -33.438 3.749 -25.752 1.00 9.24 C ATOM 236 CD GLU A1107 -33.075 3.336 -24.347 1.00 9.56 C ATOM 237 OE1 GLU A1107 -31.828 3.274 -24.045 1.00 9.53 O ATOM 238 OE2 GLU A1107 -34.010 3.038 -23.572 1.00 9.86 O ATOM 239 H GLU A1107 -30.737 2.503 -25.416 1.00 0.00 H ATOM 240 N SER A1108 -29.259 3.982 -28.098 1.00 8.57 N ATOM 241 CA SER A1108 -28.360 4.499 -29.086 1.00 8.39 C ATOM 242 C SER A1108 -27.970 3.508 -30.132 1.00 8.38 C ATOM 243 O SER A1108 -27.436 3.910 -31.159 1.00 8.28 O ATOM 244 CB SER A1108 -27.127 5.124 -28.497 1.00 8.39 C ATOM 245 OG SER A1108 -26.243 4.188 -27.920 1.00 8.54 O ATOM 246 HG SER A1108 -26.707 3.703 -27.192 1.00 0.00 H ATOM 247 H SER A1108 -28.903 3.682 -27.168 1.00 0.00 H ATOM 248 N LEU A1109 -28.268 2.241 -29.908 1.00 8.56 N ATOM 249 CA LEU A1109 -27.660 1.226 -30.790 1.00 8.71 C ATOM 250 C LEU A1109 -27.982 1.388 -32.303 1.00 8.67 C ATOM 251 O LEU A1109 -27.068 1.216 -33.123 1.00 8.73 O ATOM 252 CB LEU A1109 -27.965 -0.199 -30.287 1.00 9.11 C ATOM 253 CG LEU A1109 -27.435 -0.539 -28.904 1.00 9.53 C ATOM 254 CD1 LEU A1109 -27.996 -1.877 -28.483 1.00 9.91 C ATOM 255 CD2 LEU A1109 -25.953 -0.413 -28.700 1.00 9.64 C ATOM 256 H LEU A1109 -28.909 1.968 -29.136 1.00 0.00 H ATOM 257 N PRO A1110 -29.232 1.698 -32.668 1.00 8.66 N ATOM 258 CA PRO A1110 -29.556 1.877 -34.080 1.00 8.65 C ATOM 259 C PRO A1110 -28.971 3.120 -34.700 1.00 8.60 C ATOM 260 O PRO A1110 -28.981 3.246 -35.934 1.00 8.89 O ATOM 261 CB PRO A1110 -31.076 1.969 -34.102 1.00 8.69 C ATOM 262 CG PRO A1110 -31.550 1.594 -32.792 1.00 8.76 C ATOM 263 CD PRO A1110 -30.468 1.784 -31.830 1.00 8.73 C ATOM 264 N PHE A1111 -28.335 3.964 -33.886 1.00 8.48 N ATOM 265 CA PHE A1111 -27.913 5.263 -34.311 1.00 8.49 C ATOM 266 C PHE A1111 -26.394 5.411 -34.303 1.00 8.84 C ATOM 267 O PHE A1111 -25.861 6.463 -34.648 1.00 9.08 O ATOM 268 CB PHE A1111 -28.565 6.319 -33.401 1.00 8.30 C ATOM 269 CG PHE A1111 -30.062 6.277 -33.484 1.00 8.21 C ATOM 270 CD1 PHE A1111 -30.702 6.771 -34.611 1.00 8.32 C ATOM 271 CD2 PHE A1111 -30.811 5.693 -32.495 1.00 8.24 C ATOM 272 CE1 PHE A1111 -32.084 6.689 -34.734 1.00 8.24 C ATOM 273 CE2 PHE A1111 -32.198 5.587 -32.627 1.00 8.27 C ATOM 274 CZ PHE A1111 -32.826 6.070 -33.756 1.00 8.27 C ATOM 275 H PHE A1111 -28.139 3.667 -32.909 1.00 0.00 H ATOM 276 N ARG A1112 -25.692 4.341 -33.946 1.00 9.37 N ATOM 277 CA ARG A1112 -24.234 4.412 -33.797 1.00 10.28 C ATOM 278 C ARG A1112 -23.504 4.401 -35.141 1.00 11.32 C ATOM 279 O ARG A1112 -22.351 4.774 -35.173 1.00 12.63 O ATOM 280 CB ARG A1112 -23.737 3.313 -32.876 1.00 10.60 C ATOM 281 CG ARG A1112 -24.035 3.628 -31.433 1.00 10.58 C ATOM 282 CD ARG A1112 -23.588 2.543 -30.449 1.00 10.92 C ATOM 283 NE ARG A1112 -23.843 2.894 -29.041 1.00 11.18 N ATOM 284 CZ ARG A1112 -23.469 2.186 -27.991 1.00 11.97 C ATOM 285 NH1 ARG A1112 -22.810 1.035 -28.138 1.00 12.61 N ATOM 286 NH2 ARG A1112 -23.770 2.564 -26.770 1.00 11.90 N ATOM 287 HE ARG A1112 -24.363 3.776 -28.858 1.00 0.00 H ATOM 288 HH12 ARG A1112 -22.523 0.490 -27.300 1.00 0.00 H ATOM 289 HH11 ARG A1112 -22.584 0.683 -29.090 1.00 0.00 H ATOM 290 HH22 ARG A1112 -23.465 1.990 -25.958 1.00 0.00 H ATOM 291 HH21 ARG A1112 -24.314 3.437 -26.615 1.00 0.00 H ATOM 292 H ARG A1112 -26.182 3.441 -33.770 1.00 0.00 H ATOM 293 N GLN A1113 -24.117 3.930 -36.168 1.00 12.22 N ATOM 294 CA GLN A1113 -23.420 3.725 -37.444 1.00 13.91 C ATOM 295 C GLN A1113 -24.338 4.264 -38.529 1.00 14.00 C ATOM 296 O GLN A1113 -25.579 4.305 -38.399 1.00 13.70 O ATOM 297 CB GLN A1113 -23.143 2.231 -37.697 1.00 15.25 C ATOM 298 CG GLN A1113 -24.327 1.371 -37.504 1.00 16.98 C ATOM 299 CD GLN A1113 -24.743 1.182 -36.042 1.00 17.30 C ATOM 300 OE1 GLN A1113 -23.878 0.920 -35.167 1.00 20.07 O ATOM 301 NE2 GLN A1113 -26.062 1.411 -35.755 1.00 15.68 N ATOM 302 HE22 GLN A1113 -26.732 1.623 -36.522 1.00 0.00 H ATOM 303 HE21 GLN A1113 -26.394 1.373 -34.770 1.00 0.00 H ATOM 304 H GLN A1113 -25.126 3.689 -36.094 1.00 0.00 H ATOM 305 N PRO A1114 -23.765 4.680 -39.660 1.00 14.83 N ATOM 306 CA PRO A1114 -24.584 5.137 -40.796 1.00 15.76 C ATOM 307 C PRO A1114 -25.512 4.040 -41.320 1.00 17.34 C ATOM 308 O PRO A1114 -25.138 2.827 -41.361 1.00 18.27 O ATOM 309 CB PRO A1114 -23.563 5.461 -41.880 1.00 16.09 C ATOM 310 CG PRO A1114 -22.310 5.695 -41.160 1.00 16.11 C ATOM 311 CD PRO A1114 -22.322 4.750 -39.973 1.00 15.23 C ATOM 312 N VAL A1115 -26.723 4.460 -41.709 1.00 18.60 N ATOM 313 CA VAL A1115 -27.647 3.560 -42.358 1.00 19.01 C ATOM 314 C VAL A1115 -27.103 3.124 -43.704 1.00 18.49 C ATOM 315 O VAL A1115 -26.729 3.940 -44.522 1.00 18.25 O ATOM 316 CB VAL A1115 -29.031 4.210 -42.549 1.00 19.06 C ATOM 317 CG1 VAL A1115 -30.018 3.247 -43.200 1.00 18.95 C ATOM 318 CG2 VAL A1115 -29.557 4.655 -41.195 1.00 19.03 C ATOM 319 H VAL A1115 -27.002 5.448 -41.541 1.00 0.00 H ATOM 320 N ASP A1116 -27.050 1.825 -43.918 1.00 19.47 N ATOM 321 CA ASP A1116 -26.782 1.284 -45.242 1.00 21.04 C ATOM 322 C ASP A1116 -28.055 0.604 -45.748 1.00 20.61 C ATOM 323 O ASP A1116 -28.375 -0.450 -45.287 1.00 19.88 O ATOM 324 CB ASP A1116 -25.621 0.302 -45.180 1.00 22.78 C ATOM 325 CG ASP A1116 -25.184 -0.170 -46.541 1.00 24.60 C ATOM 326 OD1 ASP A1116 -26.008 -0.355 -47.472 1.00 27.81 O ATOM 327 OD2 ASP A1116 -23.969 -0.406 -46.709 1.00 28.06 O ATOM 328 H ASP A1116 -27.203 1.172 -43.123 1.00 0.00 H ATOM 329 N PRO A1117 -28.771 1.242 -46.683 1.00 19.93 N ATOM 330 CA PRO A1117 -30.110 0.707 -47.037 1.00 21.52 C ATOM 331 C PRO A1117 -30.066 -0.646 -47.710 1.00 23.96 C ATOM 332 O PRO A1117 -30.929 -1.476 -47.430 1.00 25.97 O ATOM 333 CB PRO A1117 -30.674 1.765 -47.983 1.00 20.86 C ATOM 334 CG PRO A1117 -29.998 2.993 -47.563 1.00 20.48 C ATOM 335 CD PRO A1117 -28.593 2.618 -47.160 1.00 20.06 C ATOM 336 N GLN A1118 -29.047 -0.894 -48.521 1.00 26.27 N ATOM 337 CA GLN A1118 -28.957 -2.168 -49.242 1.00 31.44 C ATOM 338 C GLN A1118 -28.702 -3.238 -48.224 1.00 32.16 C ATOM 339 O GLN A1118 -29.481 -4.181 -48.080 1.00 30.91 O ATOM 340 CB GLN A1118 -27.771 -2.134 -50.221 1.00 34.96 C ATOM 341 CG GLN A1118 -27.926 -3.006 -51.472 1.00 40.65 C ATOM 342 CD GLN A1118 -27.074 -4.284 -51.423 1.00 42.58 C ATOM 343 OE1 GLN A1118 -25.865 -4.238 -51.146 1.00 43.86 O ATOM 344 NE2 GLN A1118 -27.708 -5.427 -51.698 1.00 45.07 N ATOM 345 HE22 GLN A1118 -28.723 -5.417 -51.925 1.00 0.00 H ATOM 346 HE21 GLN A1118 -27.187 -6.327 -51.685 1.00 0.00 H ATOM 347 H GLN A1118 -28.304 -0.178 -48.647 1.00 0.00 H ATOM 348 N LEU A1119 -27.633 -3.040 -47.451 1.00 32.54 N ATOM 349 CA LEU A1119 -27.283 -4.030 -46.465 1.00 34.38 C ATOM 350 C LEU A1119 -28.518 -4.352 -45.640 1.00 35.76 C ATOM 351 O LEU A1119 -28.930 -5.520 -45.629 1.00 32.17 O ATOM 352 CB LEU A1119 -26.122 -3.572 -45.583 1.00 36.77 C ATOM 353 CG LEU A1119 -24.720 -3.865 -46.095 1.00 38.77 C ATOM 354 CD1 LEU A1119 -23.764 -3.456 -44.984 1.00 39.11 C ATOM 355 CD2 LEU A1119 -24.532 -5.327 -46.492 1.00 40.13 C ATOM 356 H LEU A1119 -27.058 -2.180 -47.559 1.00 0.00 H ATOM 357 N LEU A1120 -29.150 -3.312 -45.072 1.00 37.49 N ATOM 358 CA LEU A1120 -30.196 -3.407 -44.011 1.00 38.47 C ATOM 359 C LEU A1120 -31.549 -3.868 -44.520 1.00 37.05 C ATOM 360 O LEU A1120 -32.504 -3.988 -43.744 1.00 41.95 O ATOM 361 CB LEU A1120 -30.400 -2.052 -43.291 1.00 39.50 C ATOM 362 CG LEU A1120 -29.449 -1.700 -42.160 1.00 41.66 C ATOM 363 CD1 LEU A1120 -29.591 -0.260 -41.702 1.00 41.88 C ATOM 364 CD2 LEU A1120 -29.720 -2.641 -40.995 1.00 41.77 C ATOM 365 H LEU A1120 -28.889 -2.360 -45.399 1.00 0.00 H ATOM 366 N GLY A1121 -31.677 -4.083 -45.815 1.00 35.31 N ATOM 367 CA GLY A1121 -32.932 -4.564 -46.349 1.00 33.15 C ATOM 368 C GLY A1121 -34.052 -3.505 -46.346 1.00 31.97 C ATOM 369 O GLY A1121 -35.226 -3.849 -46.367 1.00 31.62 O ATOM 370 H GLY A1121 -30.875 -3.906 -46.453 1.00 0.00 H ATOM 371 N ILE A1122 -33.665 -2.228 -46.349 1.00 28.02 N ATOM 372 CA ILE A1122 -34.630 -1.093 -46.477 1.00 25.24 C ATOM 373 C ILE A1122 -34.276 -0.227 -47.682 1.00 23.39 C ATOM 374 O ILE A1122 -33.955 0.965 -47.553 1.00 21.71 O ATOM 375 CB ILE A1122 -34.720 -0.262 -45.175 1.00 27.03 C ATOM 376 CG1 ILE A1122 -33.342 0.110 -44.639 1.00 27.86 C ATOM 377 CG2 ILE A1122 -35.569 -1.012 -44.146 1.00 28.31 C ATOM 378 CD1 ILE A1122 -33.367 1.069 -43.460 1.00 26.86 C ATOM 379 H ILE A1122 -32.651 -2.013 -46.259 1.00 0.00 H ATOM 380 N PRO A1123 -34.284 -0.794 -48.877 1.00 21.81 N ATOM 381 CA PRO A1123 -33.915 -0.031 -50.089 1.00 21.76 C ATOM 382 C PRO A1123 -34.640 1.326 -50.472 1.00 20.32 C ATOM 383 O PRO A1123 -34.079 2.117 -51.210 1.00 21.28 O ATOM 384 CB PRO A1123 -34.051 -1.079 -51.205 1.00 23.57 C ATOM 385 CG PRO A1123 -34.974 -2.106 -50.654 1.00 23.35 C ATOM 386 CD PRO A1123 -34.699 -2.186 -49.207 1.00 23.82 C ATOM 387 N ASP A1124 -35.836 1.617 -49.920 1.00 17.43 N ATOM 388 CA ASP A1124 -36.524 2.884 -50.135 1.00 15.74 C ATOM 389 C ASP A1124 -35.963 4.039 -49.274 1.00 14.72 C ATOM 390 O ASP A1124 -36.357 5.185 -49.419 1.00 14.86 O ATOM 391 CB ASP A1124 -38.039 2.730 -49.846 1.00 14.92 C ATOM 392 CG ASP A1124 -38.342 2.286 -48.423 1.00 14.14 C ATOM 393 OD1 ASP A1124 -37.432 1.915 -47.688 1.00 14.27 O ATOM 394 OD2 ASP A1124 -39.514 2.300 -47.999 1.00 13.04 O ATOM 395 H ASP A1124 -36.288 0.904 -49.313 1.00 0.00 H ATOM 396 N TYR A1125 -35.009 3.728 -48.408 1.00 14.14 N ATOM 397 CA TYR A1125 -34.603 4.649 -47.350 1.00 13.83 C ATOM 398 C TYR A1125 -34.131 5.970 -47.907 1.00 15.12 C ATOM 399 O TYR A1125 -34.604 7.009 -47.440 1.00 15.43 O ATOM 400 CB TYR A1125 -33.511 4.019 -46.478 1.00 12.81 C ATOM 401 CG TYR A1125 -33.122 4.873 -45.262 1.00 12.01 C ATOM 402 CD1 TYR A1125 -33.916 4.952 -44.140 1.00 11.31 C ATOM 403 CD2 TYR A1125 -31.994 5.672 -45.315 1.00 11.79 C ATOM 404 CE1 TYR A1125 -33.580 5.789 -43.088 1.00 10.84 C ATOM 405 CE2 TYR A1125 -31.625 6.448 -44.265 1.00 11.13 C ATOM 406 CZ TYR A1125 -32.399 6.492 -43.146 1.00 11.07 C ATOM 407 OH TYR A1125 -32.059 7.351 -42.118 1.00 10.93 O ATOM 408 HH TYR A1125 -32.717 7.262 -41.384 1.00 0.00 H ATOM 409 H TYR A1125 -34.537 2.804 -48.484 1.00 0.00 H ATOM 410 N PHE A1126 -33.203 5.962 -48.866 1.00 16.01 N ATOM 411 CA PHE A1126 -32.642 7.229 -49.418 1.00 18.02 C ATOM 412 C PHE A1126 -33.651 8.040 -50.222 1.00 19.25 C ATOM 413 O PHE A1126 -33.381 9.184 -50.554 1.00 20.30 O ATOM 414 CB PHE A1126 -31.339 7.005 -50.221 1.00 18.82 C ATOM 415 CG PHE A1126 -30.151 6.570 -49.380 1.00 18.92 C ATOM 416 CD1 PHE A1126 -29.956 7.018 -48.078 1.00 18.06 C ATOM 417 CD2 PHE A1126 -29.161 5.754 -49.938 1.00 19.89 C ATOM 418 CE1 PHE A1126 -28.858 6.587 -47.323 1.00 18.48 C ATOM 419 CE2 PHE A1126 -28.060 5.330 -49.209 1.00 19.90 C ATOM 420 CZ PHE A1126 -27.900 5.739 -47.885 1.00 19.07 C ATOM 421 H PHE A1126 -32.863 5.052 -49.237 1.00 0.00 H ATOM 422 N ASP A1127 -34.805 7.462 -50.560 1.00 19.85 N ATOM 423 CA ASP A1127 -35.872 8.221 -51.200 1.00 21.58 C ATOM 424 C ASP A1127 -36.671 9.090 -50.272 1.00 21.31 C ATOM 425 O ASP A1127 -37.358 10.034 -50.694 1.00 21.76 O ATOM 426 CB ASP A1127 -36.907 7.279 -51.774 1.00 23.11 C ATOM 427 CG ASP A1127 -36.383 6.349 -52.847 1.00 26.62 C ATOM 428 OD1 ASP A1127 -35.390 6.647 -53.540 1.00 25.64 O ATOM 429 OD2 ASP A1127 -37.048 5.280 -53.001 1.00 28.56 O ATOM 430 H ASP A1127 -34.946 6.451 -50.363 1.00 0.00 H ATOM 431 N ILE A1128 -36.657 8.709 -48.994 1.00 19.93 N ATOM 432 CA ILE A1128 -37.376 9.412 -47.955 1.00 18.52 C ATOM 433 C ILE A1128 -36.404 10.330 -47.209 1.00 17.32 C ATOM 434 O ILE A1128 -36.715 11.476 -46.925 1.00 17.46 O ATOM 435 CB ILE A1128 -37.973 8.371 -46.971 1.00 20.07 C ATOM 436 CG1 ILE A1128 -38.802 7.305 -47.706 1.00 22.96 C ATOM 437 CG2 ILE A1128 -38.783 9.066 -45.903 1.00 20.64 C ATOM 438 CD1 ILE A1128 -39.744 7.888 -48.713 1.00 23.69 C ATOM 439 H ILE A1128 -36.104 7.868 -48.733 1.00 0.00 H ATOM 440 N VAL A1129 -35.248 9.769 -46.882 1.00 15.65 N ATOM 441 CA VAL A1129 -34.227 10.423 -46.110 1.00 15.00 C ATOM 442 C VAL A1129 -33.119 10.904 -47.021 1.00 15.74 C ATOM 443 O VAL A1129 -32.223 10.147 -47.439 1.00 15.47 O ATOM 444 CB VAL A1129 -33.681 9.480 -45.025 1.00 14.66 C ATOM 445 CG1 VAL A1129 -32.488 10.076 -44.304 1.00 14.46 C ATOM 446 CG2 VAL A1129 -34.759 9.152 -44.012 1.00 14.09 C ATOM 447 H VAL A1129 -35.069 8.796 -47.204 1.00 0.00 H ATOM 448 N LYS A1130 -33.186 12.184 -47.356 1.00 16.91 N ATOM 449 CA LYS A1130 -32.285 12.778 -48.324 1.00 18.94 C ATOM 450 C LYS A1130 -30.916 13.114 -47.756 1.00 18.21 C ATOM 451 O LYS A1130 -29.927 13.158 -48.468 1.00 18.80 O ATOM 452 CB LYS A1130 -32.936 14.039 -48.906 1.00 20.91 C ATOM 453 CG LYS A1130 -34.322 13.842 -49.460 1.00 23.03 C ATOM 454 CD LYS A1130 -34.506 12.590 -50.265 1.00 25.36 C ATOM 455 CE LYS A1130 -33.444 12.354 -51.302 1.00 28.02 C ATOM 456 NZ LYS A1130 -34.039 12.542 -52.636 1.00 31.41 N ATOM 457 HZ1 LYS A1130 -34.818 11.865 -52.766 1.00 0.00 H ATOM 458 HZ2 LYS A1130 -34.405 13.512 -52.718 1.00 0.00 H ATOM 459 HZ3 LYS A1130 -33.313 12.381 -53.364 1.00 0.00 H ATOM 460 H LYS A1130 -33.909 12.783 -46.909 1.00 0.00 H ATOM 461 N ASN A1131 -30.872 13.309 -46.443 1.00 17.33 N ATOM 462 CA ASN A1131 -29.669 13.756 -45.746 1.00 17.11 C ATOM 463 C ASN A1131 -29.455 12.882 -44.518 1.00 15.72 C ATOM 464 O ASN A1131 -29.853 13.222 -43.426 1.00 14.67 O ATOM 465 CB ASN A1131 -29.809 15.208 -45.366 1.00 18.20 C ATOM 466 CG ASN A1131 -29.911 16.143 -46.583 1.00 19.94 C ATOM 467 OD1 ASN A1131 -30.922 16.753 -46.795 1.00 22.63 O ATOM 468 ND2 ASN A1131 -28.896 16.173 -47.380 1.00 21.39 N ATOM 469 HD22 ASN A1131 -28.041 15.627 -47.153 1.00 0.00 H ATOM 470 HD21 ASN A1131 -28.934 16.743 -48.249 1.00 0.00 H ATOM 471 H ASN A1131 -31.733 13.136 -45.886 1.00 0.00 H ATOM 472 N PRO A1132 -28.885 11.685 -44.733 1.00 15.07 N ATOM 473 CA PRO A1132 -28.648 10.798 -43.595 1.00 14.04 C ATOM 474 C PRO A1132 -27.712 11.398 -42.561 1.00 12.93 C ATOM 475 O PRO A1132 -26.796 12.175 -42.897 1.00 13.06 O ATOM 476 CB PRO A1132 -28.010 9.568 -44.235 1.00 15.08 C ATOM 477 CG PRO A1132 -28.190 9.734 -45.722 1.00 16.17 C ATOM 478 CD PRO A1132 -28.329 11.160 -45.998 1.00 16.21 C ATOM 479 N MET A1133 -27.904 10.989 -41.307 1.00 11.96 N ATOM 480 CA MET A1133 -27.058 11.383 -40.231 1.00 11.55 C ATOM 481 C MET A1133 -27.132 10.353 -39.115 1.00 11.15 C ATOM 482 O MET A1133 -28.180 9.723 -38.919 1.00 11.30 O ATOM 483 CB MET A1133 -27.460 12.764 -39.724 1.00 11.52 C ATOM 484 CG MET A1133 -26.484 13.419 -38.754 1.00 11.70 C ATOM 485 SD MET A1133 -24.763 13.503 -39.290 1.00 12.41 S ATOM 486 CE MET A1133 -24.916 14.317 -40.894 1.00 12.79 C ATOM 487 H MET A1133 -28.704 10.356 -41.106 1.00 0.00 H ATOM 488 N ASP A1134 -26.027 10.178 -38.407 1.00 10.91 N ATOM 489 CA ASP A1134 -25.917 9.233 -37.303 1.00 10.56 C ATOM 490 C ASP A1134 -24.873 9.684 -36.345 1.00 10.23 C ATOM 491 O ASP A1134 -24.122 10.600 -36.661 1.00 10.44 O ATOM 492 CB ASP A1134 -25.530 7.841 -37.796 1.00 10.93 C ATOM 493 CG ASP A1134 -24.083 7.769 -38.224 1.00 11.37 C ATOM 494 OD1 ASP A1134 -23.743 8.371 -39.244 1.00 12.20 O ATOM 495 OD2 ASP A1134 -23.318 7.103 -37.518 1.00 12.13 O ATOM 496 H ASP A1134 -25.191 10.746 -38.652 1.00 0.00 H ATOM 497 N LEU A1135 -24.801 9.012 -35.189 1.00 9.96 N ATOM 498 CA LEU A1135 -23.885 9.433 -34.142 1.00 9.77 C ATOM 499 C LEU A1135 -22.433 9.349 -34.548 1.00 9.97 C ATOM 500 O LEU A1135 -21.668 10.223 -34.169 1.00 10.01 O ATOM 501 CB LEU A1135 -24.065 8.580 -32.899 1.00 9.70 C ATOM 502 CG LEU A1135 -25.407 8.743 -32.172 1.00 9.56 C ATOM 503 CD1 LEU A1135 -25.522 7.704 -31.070 1.00 9.90 C ATOM 504 CD2 LEU A1135 -25.568 10.149 -31.581 1.00 9.57 C ATOM 505 H LEU A1135 -25.407 8.180 -35.039 1.00 0.00 H ATOM 506 N SER A1136 -22.021 8.345 -35.315 1.00 10.23 N ATOM 507 CA SER A1136 -20.559 8.248 -35.678 1.00 10.42 C ATOM 508 C SER A1136 -20.143 9.394 -36.613 1.00 10.76 C ATOM 509 O SER A1136 -19.021 9.907 -36.487 1.00 10.85 O ATOM 510 CB SER A1136 -20.205 6.893 -36.316 1.00 10.85 C ATOM 511 OG SER A1136 -20.726 6.783 -37.652 1.00 10.88 O ATOM 512 HG SER A1136 -21.712 6.869 -37.629 1.00 0.00 H ATOM 513 H SER A1136 -22.698 7.635 -35.661 1.00 0.00 H ATOM 514 N THR A1137 -21.077 9.837 -37.469 1.00 10.72 N ATOM 515 CA THR A1137 -20.827 10.986 -38.354 1.00 11.07 C ATOM 516 C THR A1137 -20.770 12.307 -37.592 1.00 11.02 C ATOM 517 O THR A1137 -19.862 13.117 -37.799 1.00 11.30 O ATOM 518 CB THR A1137 -21.837 11.008 -39.515 1.00 11.36 C ATOM 519 OG1 THR A1137 -21.746 9.773 -40.226 1.00 11.70 O ATOM 520 CG2 THR A1137 -21.532 12.191 -40.439 1.00 11.81 C ATOM 521 HG1 THR A1137 -21.955 9.024 -39.613 1.00 0.00 H ATOM 522 H THR A1137 -21.999 9.357 -37.508 1.00 0.00 H ATOM 523 N ILE A1138 -21.682 12.507 -36.655 1.00 10.58 N ATOM 524 CA ILE A1138 -21.651 13.655 -35.782 1.00 10.79 C ATOM 525 C ILE A1138 -20.316 13.668 -35.010 1.00 11.14 C ATOM 526 O ILE A1138 -19.639 14.730 -34.916 1.00 11.86 O ATOM 527 CB ILE A1138 -22.832 13.661 -34.814 1.00 10.46 C ATOM 528 CG1 ILE A1138 -24.106 13.787 -35.661 1.00 10.50 C ATOM 529 CG2 ILE A1138 -22.762 14.829 -33.845 1.00 10.58 C ATOM 530 CD1 ILE A1138 -25.416 13.644 -34.902 1.00 10.34 C ATOM 531 H ILE A1138 -22.448 11.812 -36.544 1.00 0.00 H ATOM 532 N LYS A1139 -19.948 12.530 -34.419 1.00 11.53 N ATOM 533 CA LYS A1139 -18.699 12.471 -33.642 1.00 12.47 C ATOM 534 C LYS A1139 -17.504 12.834 -34.509 1.00 12.79 C ATOM 535 O LYS A1139 -16.633 13.626 -34.106 1.00 12.54 O ATOM 536 CB LYS A1139 -18.546 11.074 -33.027 1.00 13.44 C ATOM 537 CG LYS A1139 -17.274 10.779 -32.277 1.00 14.93 C ATOM 538 CD LYS A1139 -17.141 11.510 -30.991 1.00 16.03 C ATOM 539 CE LYS A1139 -16.229 10.786 -29.980 1.00 16.01 C ATOM 540 NZ LYS A1139 -14.876 10.507 -30.561 1.00 16.53 N ATOM 541 HZ1 LYS A1139 -14.979 9.904 -31.402 1.00 0.00 H ATOM 542 HZ2 LYS A1139 -14.423 11.404 -30.829 1.00 0.00 H ATOM 543 HZ3 LYS A1139 -14.290 10.020 -29.853 1.00 0.00 H ATOM 544 H LYS A1139 -20.545 11.683 -34.507 1.00 0.00 H ATOM 545 N ARG A1140 -17.433 12.239 -35.696 1.00 12.55 N ATOM 546 CA ARG A1140 -16.344 12.524 -36.589 1.00 13.76 C ATOM 547 C ARG A1140 -16.257 14.053 -36.891 1.00 13.55 C ATOM 548 O ARG A1140 -15.166 14.683 -36.819 1.00 13.46 O ATOM 549 CB ARG A1140 -16.451 11.670 -37.864 1.00 15.76 C ATOM 550 CG ARG A1140 -15.394 11.929 -38.960 1.00 18.59 C ATOM 551 CD ARG A1140 -15.371 10.780 -39.980 1.00 21.43 C ATOM 552 NE ARG A1140 -14.383 9.814 -39.472 1.00 25.47 N ATOM 553 CZ ARG A1140 -14.604 8.583 -38.984 1.00 28.96 C ATOM 554 NH1 ARG A1140 -13.558 7.864 -38.557 1.00 28.25 N ATOM 555 NH2 ARG A1140 -15.830 8.018 -38.974 1.00 33.73 N ATOM 556 HE ARG A1140 -13.390 10.124 -39.494 1.00 0.00 H ATOM 557 HH12 ARG A1140 -13.705 6.908 -38.175 1.00 0.00 H ATOM 558 HH11 ARG A1140 -12.598 8.262 -38.607 1.00 0.00 H ATOM 559 HH22 ARG A1140 -15.959 7.061 -38.587 1.00 0.00 H ATOM 560 HH21 ARG A1140 -16.646 8.539 -39.354 1.00 0.00 H ATOM 561 H ARG A1140 -18.171 11.563 -35.980 1.00 0.00 H ATOM 562 N LYS A1141 -17.403 14.646 -37.197 1.00 13.47 N ATOM 563 CA LYS A1141 -17.485 16.066 -37.519 1.00 14.25 C ATOM 564 C LYS A1141 -17.060 16.948 -36.326 1.00 14.08 C ATOM 565 O LYS A1141 -16.218 17.866 -36.460 1.00 14.78 O ATOM 566 CB LYS A1141 -18.886 16.417 -38.020 1.00 14.44 C ATOM 567 CG LYS A1141 -19.126 15.898 -39.431 1.00 14.98 C ATOM 568 CD LYS A1141 -20.515 16.203 -39.904 1.00 15.35 C ATOM 569 CE LYS A1141 -20.704 17.642 -40.273 1.00 15.95 C ATOM 570 NZ LYS A1141 -22.057 17.896 -40.876 1.00 16.24 N ATOM 571 HZ1 LYS A1141 -22.165 17.323 -41.737 1.00 0.00 H ATOM 572 HZ2 LYS A1141 -22.795 17.636 -40.191 1.00 0.00 H ATOM 573 HZ3 LYS A1141 -22.144 18.904 -41.116 1.00 0.00 H ATOM 574 H LYS A1141 -18.274 14.078 -37.208 1.00 0.00 H ATOM 575 N LEU A1142 -17.470 16.547 -35.125 1.00 13.34 N ATOM 576 CA LEU A1142 -17.098 17.243 -33.914 1.00 13.05 C ATOM 577 C LEU A1142 -15.611 17.111 -33.580 1.00 13.03 C ATOM 578 O LEU A1142 -15.014 18.068 -33.034 1.00 14.02 O ATOM 579 CB LEU A1142 -17.947 16.759 -32.776 1.00 12.62 C ATOM 580 CG LEU A1142 -17.880 17.500 -31.445 1.00 12.96 C ATOM 581 CD1 LEU A1142 -18.327 18.952 -31.576 1.00 13.49 C ATOM 582 CD2 LEU A1142 -18.775 16.820 -30.436 1.00 12.36 C ATOM 583 H LEU A1142 -18.078 15.706 -35.056 1.00 0.00 H ATOM 584 N ASP A1143 -15.013 15.989 -33.962 1.00 12.57 N ATOM 585 CA ASP A1143 -13.594 15.718 -33.734 1.00 12.96 C ATOM 586 C ASP A1143 -12.656 16.410 -34.722 1.00 13.79 C ATOM 587 O ASP A1143 -11.472 16.510 -34.460 1.00 12.99 O ATOM 588 CB ASP A1143 -13.327 14.202 -33.753 1.00 13.39 C ATOM 589 CG ASP A1143 -13.843 13.481 -32.530 1.00 13.45 C ATOM 590 OD1 ASP A1143 -14.101 14.121 -31.490 1.00 14.87 O ATOM 591 OD2 ASP A1143 -13.936 12.221 -32.583 1.00 14.16 O ATOM 592 H ASP A1143 -15.582 15.267 -34.448 1.00 0.00 H ATOM 593 N THR A1144 -13.163 16.790 -35.889 1.00 13.86 N ATOM 594 CA THR A1144 -12.316 17.183 -37.029 1.00 14.62 C ATOM 595 C THR A1144 -12.650 18.588 -37.506 1.00 15.40 C ATOM 596 O THR A1144 -12.428 18.970 -38.663 1.00 16.00 O ATOM 597 CB THR A1144 -12.426 16.183 -38.187 1.00 14.33 C ATOM 598 OG1 THR A1144 -13.785 16.060 -38.640 1.00 14.91 O ATOM 599 CG2 THR A1144 -11.906 14.855 -37.699 1.00 14.17 C ATOM 600 HG1 THR A1144 -14.353 15.744 -37.894 1.00 0.00 H ATOM 601 H THR A1144 -14.197 16.811 -36.003 1.00 0.00 H ATOM 602 N GLY A1145 -13.136 19.387 -36.579 1.00 15.89 N ATOM 603 CA GLY A1145 -13.414 20.797 -36.868 1.00 16.63 C ATOM 604 C GLY A1145 -14.353 21.099 -37.981 1.00 17.54 C ATOM 605 O GLY A1145 -14.222 22.132 -38.650 1.00 17.85 O ATOM 606 H GLY A1145 -13.325 19.012 -35.628 1.00 0.00 H ATOM 607 N GLN A1146 -15.356 20.248 -38.164 1.00 17.79 N ATOM 608 CA GLN A1146 -16.302 20.486 -39.194 1.00 18.92 C ATOM 609 C GLN A1146 -17.468 21.371 -38.761 1.00 18.69 C ATOM 610 O GLN A1146 -18.231 21.806 -39.623 1.00 18.82 O ATOM 611 CB GLN A1146 -16.792 19.176 -39.794 1.00 19.38 C ATOM 612 CG GLN A1146 -15.649 18.388 -40.419 1.00 21.62 C ATOM 613 CD GLN A1146 -16.043 17.193 -41.226 1.00 23.25 C ATOM 614 OE1 GLN A1146 -16.890 17.243 -42.142 1.00 25.93 O ATOM 615 NE2 GLN A1146 -15.356 16.088 -40.949 1.00 26.00 N ATOM 616 HE22 GLN A1146 -14.659 16.089 -40.177 1.00 0.00 H ATOM 617 HE21 GLN A1146 -15.516 15.223 -41.504 1.00 0.00 H ATOM 618 H GLN A1146 -15.448 19.410 -37.555 1.00 0.00 H ATOM 619 N TYR A1147 -17.635 21.605 -37.474 1.00 18.22 N ATOM 620 CA TYR A1147 -18.613 22.543 -36.948 1.00 19.36 C ATOM 621 C TYR A1147 -17.939 23.836 -36.467 1.00 21.94 C ATOM 622 O TYR A1147 -17.147 23.855 -35.491 1.00 22.32 O ATOM 623 CB TYR A1147 -19.340 21.972 -35.759 1.00 18.47 C ATOM 624 CG TYR A1147 -20.105 20.687 -36.012 1.00 17.81 C ATOM 625 CD1 TYR A1147 -21.113 20.623 -36.973 1.00 18.36 C ATOM 626 CD2 TYR A1147 -19.837 19.510 -35.280 1.00 16.79 C ATOM 627 CE1 TYR A1147 -21.830 19.458 -37.179 1.00 18.15 C ATOM 628 CE2 TYR A1147 -20.557 18.351 -35.488 1.00 16.39 C ATOM 629 CZ TYR A1147 -21.541 18.313 -36.429 1.00 16.14 C ATOM 630 OH TYR A1147 -22.217 17.175 -36.665 1.00 16.50 O ATOM 631 HH TYR A1147 -22.889 17.333 -37.375 1.00 0.00 H ATOM 632 H TYR A1147 -17.034 21.090 -36.799 1.00 0.00 H ATOM 633 N GLN A1148 -18.288 24.924 -37.129 1.00 24.18 N ATOM 634 CA GLN A1148 -17.710 26.202 -36.801 1.00 26.73 C ATOM 635 C GLN A1148 -18.503 26.945 -35.751 1.00 26.40 C ATOM 636 O GLN A1148 -17.949 27.829 -35.053 1.00 25.00 O ATOM 637 CB GLN A1148 -17.588 27.055 -38.061 1.00 29.31 C ATOM 638 CG GLN A1148 -16.366 26.711 -38.906 1.00 33.41 C ATOM 639 CD GLN A1148 -16.561 25.472 -39.763 1.00 34.50 C ATOM 640 OE1 GLN A1148 -17.577 25.332 -40.432 1.00 41.51 O ATOM 641 NE2 GLN A1148 -15.576 24.566 -39.744 1.00 35.95 N ATOM 642 HE22 GLN A1148 -14.731 24.729 -39.160 1.00 0.00 H ATOM 643 HE21 GLN A1148 -15.656 23.699 -40.313 1.00 0.00 H ATOM 644 H GLN A1148 -18.988 24.857 -37.895 1.00 0.00 H ATOM 645 N GLU A1149 -19.799 26.647 -35.682 1.00 23.47 N ATOM 646 CA GLU A1149 -20.696 27.229 -34.712 1.00 24.40 C ATOM 647 C GLU A1149 -21.549 26.124 -34.105 1.00 22.98 C ATOM 648 O GLU A1149 -21.857 25.157 -34.788 1.00 22.07 O ATOM 649 CB GLU A1149 -21.613 28.265 -35.364 1.00 26.25 C ATOM 650 CG GLU A1149 -20.851 29.292 -36.200 1.00 29.73 C ATOM 651 CD GLU A1149 -21.430 30.701 -36.123 1.00 31.93 C ATOM 652 OE1 GLU A1149 -20.674 31.648 -35.841 1.00 36.37 O ATOM 653 OE2 GLU A1149 -22.616 30.907 -36.349 1.00 34.39 O ATOM 654 H GLU A1149 -20.185 25.960 -36.361 1.00 0.00 H ATOM 655 N PRO A1150 -21.942 26.280 -32.828 1.00 21.88 N ATOM 656 CA PRO A1150 -22.690 25.226 -32.130 1.00 20.81 C ATOM 657 C PRO A1150 -24.005 24.824 -32.781 1.00 20.43 C ATOM 658 O PRO A1150 -24.379 23.625 -32.715 1.00 19.08 O ATOM 659 CB PRO A1150 -22.969 25.815 -30.746 1.00 21.24 C ATOM 660 CG PRO A1150 -22.080 27.007 -30.590 1.00 21.41 C ATOM 661 CD PRO A1150 -21.454 27.326 -31.911 1.00 22.26 C ATOM 662 N TRP A1151 -24.716 25.780 -33.397 1.00 19.92 N ATOM 663 CA TRP A1151 -26.005 25.468 -34.033 1.00 19.92 C ATOM 664 C TRP A1151 -25.858 24.399 -35.136 1.00 18.20 C ATOM 665 O TRP A1151 -26.801 23.715 -35.421 1.00 17.59 O ATOM 666 CB TRP A1151 -26.722 26.756 -34.565 1.00 21.45 C ATOM 667 CG TRP A1151 -26.002 27.521 -35.629 1.00 22.54 C ATOM 668 CD1 TRP A1151 -25.122 28.595 -35.439 1.00 24.13 C ATOM 669 CD2 TRP A1151 -26.019 27.270 -37.052 1.00 22.76 C ATOM 670 NE1 TRP A1151 -24.643 29.011 -36.658 1.00 24.78 N ATOM 671 CE2 TRP A1151 -25.164 28.227 -37.658 1.00 24.25 C ATOM 672 CE3 TRP A1151 -26.700 26.373 -37.869 1.00 22.13 C ATOM 673 CZ2 TRP A1151 -24.940 28.258 -39.035 1.00 24.08 C ATOM 674 CZ3 TRP A1151 -26.479 26.404 -39.258 1.00 22.79 C ATOM 675 CH2 TRP A1151 -25.596 27.349 -39.822 1.00 23.54 C ATOM 676 HE1 TRP A1151 -23.984 29.802 -36.802 1.00 0.00 H ATOM 677 H TRP A1151 -24.351 26.754 -33.425 1.00 0.00 H ATOM 678 N GLN A1152 -24.681 24.309 -35.760 1.00 17.35 N ATOM 679 CA GLN A1152 -24.448 23.390 -36.831 1.00 17.04 C ATOM 680 C GLN A1152 -24.445 21.961 -36.259 1.00 15.19 C ATOM 681 O GLN A1152 -24.958 21.038 -36.890 1.00 14.93 O ATOM 682 CB GLN A1152 -23.131 23.699 -37.558 1.00 18.34 C ATOM 683 CG GLN A1152 -23.251 25.003 -38.316 1.00 20.06 C ATOM 684 CD GLN A1152 -21.947 25.535 -38.805 1.00 22.23 C ATOM 685 OE1 GLN A1152 -20.887 25.269 -38.255 1.00 22.22 O ATOM 686 NE2 GLN A1152 -22.033 26.359 -39.854 1.00 25.86 N ATOM 687 HE22 GLN A1152 -22.958 26.554 -40.288 1.00 0.00 H ATOM 688 HE21 GLN A1152 -21.175 26.805 -40.237 1.00 0.00 H ATOM 689 H GLN A1152 -23.905 24.930 -35.456 1.00 0.00 H ATOM 690 N TYR A1153 -23.898 21.808 -35.060 1.00 14.51 N ATOM 691 CA TYR A1153 -23.923 20.514 -34.380 1.00 13.45 C ATOM 692 C TYR A1153 -25.348 20.135 -34.014 1.00 13.43 C ATOM 693 O TYR A1153 -25.834 19.010 -34.269 1.00 13.14 O ATOM 694 CB TYR A1153 -23.074 20.562 -33.096 1.00 12.91 C ATOM 695 CG TYR A1153 -23.325 19.463 -32.090 1.00 12.11 C ATOM 696 CD1 TYR A1153 -22.815 18.176 -32.295 1.00 11.73 C ATOM 697 CD2 TYR A1153 -24.018 19.707 -30.927 1.00 11.89 C ATOM 698 CE1 TYR A1153 -22.963 17.182 -31.351 1.00 11.43 C ATOM 699 CE2 TYR A1153 -24.209 18.708 -30.001 1.00 11.59 C ATOM 700 CZ TYR A1153 -23.681 17.447 -30.218 1.00 11.38 C ATOM 701 OH TYR A1153 -23.838 16.451 -29.300 1.00 10.90 O ATOM 702 HH TYR A1153 -23.429 16.727 -28.442 1.00 0.00 H ATOM 703 H TYR A1153 -23.444 22.621 -34.597 1.00 0.00 H ATOM 704 N VAL A1154 -26.032 21.067 -33.370 1.00 14.35 N ATOM 705 CA VAL A1154 -27.439 20.867 -32.997 1.00 14.42 C ATOM 706 C VAL A1154 -28.301 20.517 -34.216 1.00 14.28 C ATOM 707 O VAL A1154 -29.136 19.596 -34.144 1.00 14.57 O ATOM 708 CB VAL A1154 -28.002 22.118 -32.314 1.00 15.16 C ATOM 709 CG1 VAL A1154 -29.488 22.008 -32.044 1.00 15.29 C ATOM 710 CG2 VAL A1154 -27.244 22.381 -31.026 1.00 15.06 C ATOM 711 H VAL A1154 -25.563 21.962 -33.122 1.00 0.00 H ATOM 712 N ASP A1155 -28.066 21.168 -35.352 1.00 14.41 N ATOM 713 CA ASP A1155 -28.837 20.827 -36.545 1.00 14.58 C ATOM 714 C ASP A1155 -28.594 19.365 -36.942 1.00 13.27 C ATOM 715 O ASP A1155 -29.506 18.664 -37.395 1.00 12.75 O ATOM 716 CB ASP A1155 -28.482 21.690 -37.760 1.00 16.41 C ATOM 717 CG ASP A1155 -29.057 23.087 -37.698 1.00 18.49 C ATOM 718 OD1 ASP A1155 -29.882 23.394 -36.824 1.00 18.94 O ATOM 719 OD2 ASP A1155 -28.609 23.915 -38.554 1.00 22.58 O ATOM 720 H ASP A1155 -27.341 21.912 -35.390 1.00 0.00 H ATOM 721 N ASP A1156 -27.382 18.914 -36.842 1.00 12.57 N ATOM 722 CA ASP A1156 -27.098 17.494 -37.227 1.00 12.05 C ATOM 723 C ASP A1156 -27.770 16.470 -36.282 1.00 11.38 C ATOM 724 O ASP A1156 -28.259 15.431 -36.704 1.00 10.30 O ATOM 725 CB ASP A1156 -25.604 17.204 -37.307 1.00 12.44 C ATOM 726 CG ASP A1156 -25.000 17.543 -38.679 1.00 13.44 C ATOM 727 OD1 ASP A1156 -25.764 17.856 -39.645 1.00 14.30 O ATOM 728 OD2 ASP A1156 -23.773 17.464 -38.818 1.00 12.77 O ATOM 729 H ASP A1156 -26.617 19.530 -36.499 1.00 0.00 H ATOM 730 N VAL A1157 -27.781 16.767 -34.991 1.00 10.81 N ATOM 731 CA VAL A1157 -28.426 15.884 -34.040 1.00 10.49 C ATOM 732 C VAL A1157 -29.925 15.823 -34.362 1.00 10.38 C ATOM 733 O VAL A1157 -30.513 14.704 -34.476 1.00 10.14 O ATOM 734 CB VAL A1157 -28.218 16.341 -32.607 1.00 10.50 C ATOM 735 CG1 VAL A1157 -29.099 15.541 -31.629 1.00 10.31 C ATOM 736 CG2 VAL A1157 -26.755 16.267 -32.171 1.00 10.50 C ATOM 737 H VAL A1157 -27.324 17.640 -34.658 1.00 0.00 H ATOM 738 N TRP A1158 -30.565 16.979 -34.573 1.00 10.58 N ATOM 739 CA TRP A1158 -31.978 16.938 -34.967 1.00 10.72 C ATOM 740 C TRP A1158 -32.261 16.336 -36.301 1.00 10.36 C ATOM 741 O TRP A1158 -33.328 15.733 -36.493 1.00 10.27 O ATOM 742 CB TRP A1158 -32.603 18.344 -34.906 1.00 11.54 C ATOM 743 CG TRP A1158 -32.863 18.832 -33.492 1.00 12.08 C ATOM 744 CD1 TRP A1158 -32.066 19.647 -32.697 1.00 12.64 C ATOM 745 CD2 TRP A1158 -34.002 18.530 -32.735 1.00 12.72 C ATOM 746 NE1 TRP A1158 -32.669 19.839 -31.484 1.00 12.98 N ATOM 747 CE2 TRP A1158 -33.849 19.142 -31.479 1.00 13.25 C ATOM 748 CE3 TRP A1158 -35.139 17.737 -32.966 1.00 13.32 C ATOM 749 CZ2 TRP A1158 -34.815 19.024 -30.471 1.00 13.80 C ATOM 750 CZ3 TRP A1158 -36.086 17.617 -31.963 1.00 13.80 C ATOM 751 CH2 TRP A1158 -35.913 18.274 -30.739 1.00 14.12 C ATOM 752 HE1 TRP A1158 -32.297 20.414 -30.702 1.00 0.00 H ATOM 753 H TRP A1158 -30.071 17.887 -34.460 1.00 0.00 H ATOM 754 N LEU A1159 -31.314 16.427 -37.232 1.00 10.29 N ATOM 755 CA LEU A1159 -31.501 15.782 -38.510 1.00 10.19 C ATOM 756 C LEU A1159 -31.589 14.251 -38.273 1.00 9.65 C ATOM 757 O LEU A1159 -32.424 13.573 -38.866 1.00 9.45 O ATOM 758 CB LEU A1159 -30.350 16.145 -39.430 1.00 10.51 C ATOM 759 CG LEU A1159 -30.244 15.431 -40.748 1.00 10.72 C ATOM 760 CD1 LEU A1159 -31.517 15.618 -41.552 1.00 10.88 C ATOM 761 CD2 LEU A1159 -28.971 15.854 -41.487 1.00 11.11 C ATOM 762 H LEU A1159 -30.442 16.961 -37.039 1.00 0.00 H ATOM 763 N MET A1160 -30.697 13.722 -37.434 1.00 9.31 N ATOM 764 CA MET A1160 -30.717 12.279 -37.146 1.00 9.08 C ATOM 765 C MET A1160 -32.110 11.906 -36.597 1.00 8.90 C ATOM 766 O MET A1160 -32.706 10.880 -36.974 1.00 8.68 O ATOM 767 CB MET A1160 -29.611 11.911 -36.164 1.00 9.21 C ATOM 768 CG MET A1160 -29.506 10.464 -35.803 1.00 9.08 C ATOM 769 SD MET A1160 -28.221 10.156 -34.591 1.00 9.34 S ATOM 770 CE MET A1160 -29.013 10.594 -33.143 1.00 9.40 C ATOM 771 H MET A1160 -29.985 14.331 -36.982 1.00 0.00 H ATOM 772 N PHE A1161 -32.603 12.720 -35.688 1.00 8.79 N ATOM 773 CA PHE A1161 -33.843 12.385 -35.008 1.00 8.96 C ATOM 774 C PHE A1161 -35.010 12.498 -35.991 1.00 8.94 C ATOM 775 O PHE A1161 -35.857 11.611 -36.119 1.00 8.85 O ATOM 776 CB PHE A1161 -34.149 13.314 -33.860 1.00 9.24 C ATOM 777 CG PHE A1161 -33.174 13.315 -32.696 1.00 9.48 C ATOM 778 CD1 PHE A1161 -32.441 12.189 -32.361 1.00 9.36 C ATOM 779 CD2 PHE A1161 -33.104 14.434 -31.886 1.00 9.69 C ATOM 780 CE1 PHE A1161 -31.553 12.202 -31.299 1.00 9.46 C ATOM 781 CE2 PHE A1161 -32.274 14.442 -30.782 1.00 9.89 C ATOM 782 CZ PHE A1161 -31.438 13.342 -30.516 1.00 9.61 C ATOM 783 H PHE A1161 -32.105 13.603 -35.456 1.00 0.00 H ATOM 784 N ASN A1162 -35.044 13.582 -36.715 1.00 9.02 N ATOM 785 CA ASN A1162 -36.132 13.792 -37.670 1.00 9.21 C ATOM 786 C ASN A1162 -36.177 12.765 -38.772 1.00 9.02 C ATOM 787 O ASN A1162 -37.265 12.321 -39.174 1.00 8.90 O ATOM 788 CB ASN A1162 -36.077 15.171 -38.290 1.00 9.69 C ATOM 789 CG ASN A1162 -36.528 16.264 -37.321 1.00 10.09 C ATOM 790 OD1 ASN A1162 -37.445 16.054 -36.533 1.00 10.53 O ATOM 791 ND2 ASN A1162 -36.001 17.425 -37.490 1.00 10.44 N ATOM 792 HD22 ASN A1162 -35.225 17.550 -38.171 1.00 0.00 H ATOM 793 HD21 ASN A1162 -36.351 18.239 -36.945 1.00 0.00 H ATOM 794 H ASN A1162 -34.297 14.298 -36.613 1.00 0.00 H ATOM 795 N ASN A1163 -35.019 12.291 -39.168 1.00 8.92 N ATOM 796 CA ASN A1163 -34.961 11.218 -40.167 1.00 8.91 C ATOM 797 C ASN A1163 -35.642 9.957 -39.643 1.00 8.62 C ATOM 798 O ASN A1163 -36.453 9.352 -40.321 1.00 8.42 O ATOM 799 CB ASN A1163 -33.530 10.846 -40.535 1.00 9.15 C ATOM 800 CG ASN A1163 -32.845 11.916 -41.391 1.00 9.61 C ATOM 801 OD1 ASN A1163 -33.506 12.744 -41.996 1.00 10.47 O ATOM 802 ND2 ASN A1163 -31.520 11.865 -41.470 1.00 9.75 N ATOM 803 HD22 ASN A1163 -30.995 11.142 -40.937 1.00 0.00 H ATOM 804 HD21 ASN A1163 -31.008 12.548 -42.064 1.00 0.00 H ATOM 805 H ASN A1163 -34.139 12.678 -38.772 1.00 0.00 H ATOM 806 N ALA A1164 -35.336 9.628 -38.411 1.00 8.36 N ATOM 807 CA ALA A1164 -35.946 8.426 -37.781 1.00 8.35 C ATOM 808 C ALA A1164 -37.460 8.567 -37.558 1.00 8.54 C ATOM 809 O ALA A1164 -38.203 7.610 -37.772 1.00 8.58 O ATOM 810 CB ALA A1164 -35.217 8.053 -36.476 1.00 8.35 C ATOM 811 H ALA A1164 -34.664 10.210 -37.872 1.00 0.00 H ATOM 812 N TRP A1165 -37.887 9.752 -37.117 1.00 8.69 N ATOM 813 CA TRP A1165 -39.306 9.980 -36.926 1.00 8.91 C ATOM 814 C TRP A1165 -40.083 10.044 -38.239 1.00 9.09 C ATOM 815 O TRP A1165 -41.328 9.853 -38.231 1.00 9.79 O ATOM 816 CB TRP A1165 -39.505 11.241 -36.134 1.00 8.98 C ATOM 817 CG TRP A1165 -39.139 11.167 -34.730 1.00 8.94 C ATOM 818 CD1 TRP A1165 -39.251 10.100 -33.871 1.00 8.87 C ATOM 819 CD2 TRP A1165 -38.524 12.233 -33.957 1.00 9.04 C ATOM 820 NE1 TRP A1165 -38.842 10.486 -32.580 1.00 9.05 N ATOM 821 CE2 TRP A1165 -38.411 11.781 -32.638 1.00 9.02 C ATOM 822 CE3 TRP A1165 -38.123 13.561 -34.256 1.00 9.20 C ATOM 823 CZ2 TRP A1165 -37.851 12.604 -31.608 1.00 9.21 C ATOM 824 CZ3 TRP A1165 -37.564 14.353 -33.258 1.00 9.34 C ATOM 825 CH2 TRP A1165 -37.451 13.867 -31.935 1.00 9.35 C ATOM 826 HE1 TRP A1165 -38.864 9.888 -31.729 1.00 0.00 H ATOM 827 H TRP A1165 -37.204 10.509 -36.911 1.00 0.00 H ATOM 828 N LEU A1166 -39.432 10.304 -39.355 1.00 9.16 N ATOM 829 CA LEU A1166 -40.103 10.345 -40.664 1.00 9.44 C ATOM 830 C LEU A1166 -40.213 8.938 -41.262 1.00 9.15 C ATOM 831 O LEU A1166 -41.237 8.580 -41.845 1.00 9.14 O ATOM 832 CB LEU A1166 -39.362 11.279 -41.644 1.00 9.85 C ATOM 833 CG LEU A1166 -39.891 11.371 -43.062 1.00 10.43 C ATOM 834 CD1 LEU A1166 -41.305 11.918 -43.037 1.00 10.67 C ATOM 835 CD2 LEU A1166 -38.983 12.292 -43.891 1.00 11.04 C ATOM 836 H LEU A1166 -38.409 10.486 -39.309 1.00 0.00 H ATOM 837 N TYR A1167 -39.142 8.125 -41.101 1.00 9.10 N ATOM 838 CA TYR A1167 -39.025 6.871 -41.769 1.00 9.11 C ATOM 839 C TYR A1167 -39.799 5.699 -41.130 1.00 8.95 C ATOM 840 O TYR A1167 -40.266 4.768 -41.785 1.00 9.09 O ATOM 841 CB TYR A1167 -37.533 6.448 -41.981 1.00 9.16 C ATOM 842 CG TYR A1167 -37.445 5.213 -42.813 1.00 9.43 C ATOM 843 CD1 TYR A1167 -37.659 5.270 -44.170 1.00 9.60 C ATOM 844 CD2 TYR A1167 -37.165 3.940 -42.214 1.00 9.40 C ATOM 845 CE1 TYR A1167 -37.615 4.142 -44.960 1.00 9.84 C ATOM 846 CE2 TYR A1167 -37.074 2.796 -42.983 1.00 9.78 C ATOM 847 CZ TYR A1167 -37.357 2.908 -44.368 1.00 9.90 C ATOM 848 OH TYR A1167 -37.315 1.796 -45.165 1.00 10.80 O ATOM 849 HH TYR A1167 -37.536 2.050 -46.096 1.00 0.00 H ATOM 850 H TYR A1167 -38.376 8.427 -40.466 1.00 0.00 H ATOM 851 N ASN A1168 -39.817 5.705 -39.808 1.00 8.82 N ATOM 852 CA ASN A1168 -40.278 4.571 -38.975 1.00 9.01 C ATOM 853 C ASN A1168 -41.658 4.724 -38.341 1.00 9.34 C ATOM 854 O ASN A1168 -42.098 5.819 -38.085 1.00 9.35 O ATOM 855 CB ASN A1168 -39.274 4.302 -37.844 1.00 8.89 C ATOM 856 CG ASN A1168 -37.880 4.066 -38.393 1.00 8.82 C ATOM 857 OD1 ASN A1168 -37.518 2.944 -38.794 1.00 8.96 O ATOM 858 ND2 ASN A1168 -37.050 5.127 -38.393 1.00 8.72 N ATOM 859 HD22 ASN A1168 -37.386 6.050 -38.051 1.00 0.00 H ATOM 860 HD21 ASN A1168 -36.073 5.023 -38.735 1.00 0.00 H ATOM 861 H ASN A1168 -39.486 6.562 -39.321 1.00 0.00 H ATOM 862 N ARG A1169 -42.312 3.593 -38.115 1.00 9.77 N ATOM 863 CA ARG A1169 -43.624 3.577 -37.474 1.00 10.41 C ATOM 864 C ARG A1169 -43.497 4.093 -36.033 1.00 10.58 C ATOM 865 O ARG A1169 -42.482 3.855 -35.360 1.00 10.12 O ATOM 866 CB ARG A1169 -44.190 2.161 -37.428 1.00 11.26 C ATOM 867 CG ARG A1169 -44.586 1.686 -38.789 1.00 12.06 C ATOM 868 CD ARG A1169 -44.989 0.237 -38.836 1.00 13.82 C ATOM 869 NE ARG A1169 -46.061 -0.194 -37.938 1.00 16.31 N ATOM 870 CZ ARG A1169 -46.969 -1.160 -38.161 1.00 17.52 C ATOM 871 NH1 ARG A1169 -47.096 -1.847 -39.358 1.00 16.75 N ATOM 872 NH2 ARG A1169 -47.841 -1.413 -37.180 1.00 19.30 N ATOM 873 HE ARG A1169 -46.128 0.302 -37.026 1.00 0.00 H ATOM 874 HH12 ARG A1169 -47.823 -2.584 -39.460 1.00 0.00 H ATOM 875 HH11 ARG A1169 -46.465 -1.626 -40.154 1.00 0.00 H ATOM 876 HH22 ARG A1169 -48.563 -2.151 -37.304 1.00 0.00 H ATOM 877 HH21 ARG A1169 -47.797 -0.872 -36.293 1.00 0.00 H ATOM 878 H ARG A1169 -41.879 2.692 -38.402 1.00 0.00 H ATOM 879 N LYS A1170 -44.500 4.775 -35.568 1.00 11.21 N ATOM 880 CA LYS A1170 -44.436 5.388 -34.279 1.00 12.31 C ATOM 881 C LYS A1170 -44.113 4.452 -33.113 1.00 12.37 C ATOM 882 O LYS A1170 -43.387 4.883 -32.201 1.00 13.08 O ATOM 883 CB LYS A1170 -45.710 6.178 -34.016 1.00 13.49 C ATOM 884 CG LYS A1170 -45.798 6.823 -32.663 1.00 15.26 C ATOM 885 CD LYS A1170 -46.915 7.819 -32.615 1.00 16.76 C ATOM 886 CE LYS A1170 -46.375 9.192 -32.868 1.00 17.95 C ATOM 887 NZ LYS A1170 -47.428 10.212 -33.070 1.00 18.82 N ATOM 888 HZ1 LYS A1170 -48.010 9.949 -33.891 1.00 0.00 H ATOM 889 HZ2 LYS A1170 -48.026 10.264 -32.221 1.00 0.00 H ATOM 890 HZ3 LYS A1170 -46.985 11.137 -33.240 1.00 0.00 H ATOM 891 H LYS A1170 -45.361 4.876 -36.142 1.00 0.00 H ATOM 892 N THR A1171 -44.639 3.264 -33.117 1.00 12.72 N ATOM 893 CA THR A1171 -44.367 2.324 -32.016 1.00 13.64 C ATOM 894 C THR A1171 -43.207 1.370 -32.359 1.00 12.70 C ATOM 895 O THR A1171 -42.946 0.384 -31.618 1.00 13.04 O ATOM 896 CB THR A1171 -45.651 1.644 -31.548 1.00 15.09 C ATOM 897 OG1 THR A1171 -46.238 0.970 -32.619 1.00 16.38 O ATOM 898 CG2 THR A1171 -46.590 2.625 -30.939 1.00 16.29 C ATOM 899 HG1 THR A1171 -47.070 0.530 -32.314 1.00 0.00 H ATOM 900 H THR A1171 -45.256 2.975 -33.903 1.00 0.00 H ATOM 901 N SER A1172 -42.446 1.631 -33.432 1.00 11.31 N ATOM 902 CA SER A1172 -41.282 0.785 -33.746 1.00 10.55 C ATOM 903 C SER A1172 -40.192 1.025 -32.747 1.00 10.18 C ATOM 904 O SER A1172 -40.127 2.089 -32.121 1.00 9.89 O ATOM 905 CB SER A1172 -40.720 1.020 -35.147 1.00 10.33 C ATOM 906 OG SER A1172 -40.222 2.338 -35.296 1.00 9.63 O ATOM 907 HG SER A1172 -40.954 2.986 -35.140 1.00 0.00 H ATOM 908 H SER A1172 -42.679 2.437 -34.047 1.00 0.00 H ATOM 909 N ARG A1173 -39.343 -0.003 -32.565 1.00 9.94 N ATOM 910 CA ARG A1173 -38.141 0.163 -31.735 1.00 9.80 C ATOM 911 C ARG A1173 -37.360 1.405 -32.123 1.00 9.33 C ATOM 912 O ARG A1173 -36.955 2.163 -31.265 1.00 9.07 O ATOM 913 CB ARG A1173 -37.276 -1.114 -31.875 1.00 9.99 C ATOM 914 CG ARG A1173 -35.926 -1.103 -31.207 1.00 10.11 C ATOM 915 CD ARG A1173 -35.337 -2.496 -31.308 1.00 10.49 C ATOM 916 NE ARG A1173 -34.050 -2.612 -30.710 1.00 10.72 N ATOM 917 CZ ARG A1173 -32.878 -2.448 -31.334 1.00 10.67 C ATOM 918 NH1 ARG A1173 -32.844 -2.084 -32.628 1.00 10.53 N ATOM 919 NH2 ARG A1173 -31.744 -2.581 -30.641 1.00 10.86 N ATOM 920 HE ARG A1173 -34.018 -2.845 -29.697 1.00 0.00 H ATOM 921 HH12 ARG A1173 -31.931 -1.958 -33.109 1.00 0.00 H ATOM 922 HH11 ARG A1173 -33.731 -1.929 -33.148 1.00 0.00 H ATOM 923 HH22 ARG A1173 -30.827 -2.456 -31.115 1.00 0.00 H ATOM 924 HH21 ARG A1173 -31.778 -2.810 -29.627 1.00 0.00 H ATOM 925 H ARG A1173 -39.538 -0.920 -33.014 1.00 0.00 H ATOM 926 N VAL A1174 -37.047 1.553 -33.408 1.00 9.09 N ATOM 927 CA VAL A1174 -36.191 2.692 -33.799 1.00 8.84 C ATOM 928 C VAL A1174 -36.852 4.038 -33.425 1.00 8.64 C ATOM 929 O VAL A1174 -36.170 4.923 -32.979 1.00 8.26 O ATOM 930 CB VAL A1174 -35.817 2.627 -35.297 1.00 8.93 C ATOM 931 CG1 VAL A1174 -35.043 3.881 -35.729 1.00 8.88 C ATOM 932 CG2 VAL A1174 -34.955 1.390 -35.528 1.00 9.18 C ATOM 933 H VAL A1174 -37.397 0.882 -34.121 1.00 0.00 H ATOM 934 N TYR A1175 -38.141 4.181 -33.675 1.00 8.73 N ATOM 935 CA TYR A1175 -38.843 5.434 -33.348 1.00 8.84 C ATOM 936 C TYR A1175 -38.815 5.701 -31.826 1.00 8.87 C ATOM 937 O TYR A1175 -38.483 6.807 -31.381 1.00 8.72 O ATOM 938 CB TYR A1175 -40.276 5.379 -33.860 1.00 9.14 C ATOM 939 CG TYR A1175 -41.016 6.705 -33.877 1.00 9.46 C ATOM 940 CD1 TYR A1175 -41.425 7.295 -32.697 1.00 9.87 C ATOM 941 CD2 TYR A1175 -41.353 7.291 -35.095 1.00 9.63 C ATOM 942 CE1 TYR A1175 -42.129 8.481 -32.700 1.00 10.50 C ATOM 943 CE2 TYR A1175 -42.075 8.455 -35.127 1.00 10.12 C ATOM 944 CZ TYR A1175 -42.441 9.038 -33.934 1.00 10.57 C ATOM 945 OH TYR A1175 -43.143 10.241 -33.867 1.00 12.69 O ATOM 946 HH TYR A1175 -43.301 10.477 -32.919 1.00 0.00 H ATOM 947 H TYR A1175 -38.668 3.397 -34.109 1.00 0.00 H ATOM 948 N LYS A1176 -39.083 4.682 -31.039 1.00 8.94 N ATOM 949 CA LYS A1176 -39.117 4.802 -29.579 1.00 9.34 C ATOM 950 C LYS A1176 -37.738 5.098 -29.064 1.00 8.95 C ATOM 951 O LYS A1176 -37.548 5.937 -28.180 1.00 9.08 O ATOM 952 CB LYS A1176 -39.616 3.510 -28.949 1.00 9.93 C ATOM 953 CG LYS A1176 -41.105 3.249 -29.089 1.00 10.70 C ATOM 954 CD LYS A1176 -41.534 1.900 -28.583 1.00 11.75 C ATOM 955 CE LYS A1176 -43.031 1.771 -28.535 1.00 12.95 C ATOM 956 NZ LYS A1176 -43.456 1.109 -27.256 1.00 14.47 N ATOM 957 HZ1 LYS A1176 -43.031 0.162 -27.200 1.00 0.00 H ATOM 958 HZ2 LYS A1176 -43.138 1.682 -26.448 1.00 0.00 H ATOM 959 HZ3 LYS A1176 -44.493 1.027 -27.237 1.00 0.00 H ATOM 960 H LYS A1176 -39.278 3.756 -31.469 1.00 0.00 H ATOM 961 N PHE A1177 -36.730 4.454 -29.668 1.00 8.65 N ATOM 962 CA PHE A1177 -35.354 4.686 -29.249 1.00 8.61 C ATOM 963 C PHE A1177 -34.923 6.109 -29.595 1.00 8.46 C ATOM 964 O PHE A1177 -34.322 6.826 -28.769 1.00 8.52 O ATOM 965 CB PHE A1177 -34.400 3.648 -29.882 1.00 8.55 C ATOM 966 CG PHE A1177 -34.435 2.281 -29.247 1.00 8.79 C ATOM 967 CD1 PHE A1177 -35.434 1.875 -28.379 1.00 9.04 C ATOM 968 CD2 PHE A1177 -33.438 1.384 -29.527 1.00 8.82 C ATOM 969 CE1 PHE A1177 -35.410 0.616 -27.841 1.00 9.33 C ATOM 970 CE2 PHE A1177 -33.416 0.124 -28.978 1.00 9.11 C ATOM 971 CZ PHE A1177 -34.386 -0.250 -28.129 1.00 9.37 C ATOM 972 H PHE A1177 -36.931 3.786 -30.439 1.00 0.00 H ATOM 973 N CYS A1178 -35.313 6.565 -30.793 1.00 8.34 N ATOM 974 CA CYS A1178 -35.082 7.917 -31.182 1.00 8.52 C ATOM 975 C CYS A1178 -35.626 8.894 -30.167 1.00 8.69 C ATOM 976 O CYS A1178 -34.960 9.837 -29.783 1.00 8.54 O ATOM 977 CB CYS A1178 -35.705 8.217 -32.543 1.00 8.57 C ATOM 978 SG CYS A1178 -35.369 9.878 -33.070 1.00 9.27 S ATOM 979 H CYS A1178 -35.794 5.920 -31.452 1.00 0.00 H ATOM 980 N SER A1179 -36.888 8.681 -29.793 1.00 9.01 N ATOM 981 CA SER A1179 -37.550 9.548 -28.819 1.00 9.49 C ATOM 982 C SER A1179 -36.846 9.637 -27.464 1.00 9.91 C ATOM 983 O SER A1179 -36.755 10.723 -26.905 1.00 10.11 O ATOM 984 CB SER A1179 -38.998 9.175 -28.656 1.00 9.62 C ATOM 985 OG SER A1179 -39.700 9.476 -29.863 1.00 9.67 O ATOM 986 HG SER A1179 -40.654 9.231 -29.759 1.00 0.00 H ATOM 987 H SER A1179 -37.412 7.882 -30.202 1.00 0.00 H ATOM 988 N LYS A1180 -36.295 8.511 -26.984 1.00 9.98 N ATOM 989 CA LYS A1180 -35.494 8.528 -25.801 1.00 10.53 C ATOM 990 C LYS A1180 -34.256 9.368 -25.987 1.00 10.16 C ATOM 991 O LYS A1180 -33.911 10.151 -25.108 1.00 10.67 O ATOM 992 CB LYS A1180 -35.092 7.111 -25.388 1.00 10.64 C ATOM 993 CG LYS A1180 -34.113 7.023 -24.230 1.00 11.28 C ATOM 994 CD LYS A1180 -34.594 7.707 -22.947 1.00 11.90 C ATOM 995 CE LYS A1180 -33.557 7.461 -21.858 1.00 12.73 C ATOM 996 NZ LYS A1180 -34.046 8.005 -20.544 1.00 13.49 N ATOM 997 HZ1 LYS A1180 -34.211 9.028 -20.633 1.00 0.00 H ATOM 998 HZ2 LYS A1180 -34.934 7.531 -20.283 1.00 0.00 H ATOM 999 HZ3 LYS A1180 -33.330 7.831 -19.810 1.00 0.00 H ATOM 1000 H LYS A1180 -36.454 7.612 -27.481 1.00 0.00 H ATOM 1001 N LEU A1181 -33.533 9.223 -27.131 1.00 9.84 N ATOM 1002 CA LEU A1181 -32.334 10.017 -27.333 1.00 9.79 C ATOM 1003 C LEU A1181 -32.656 11.517 -27.350 1.00 9.87 C ATOM 1004 O LEU A1181 -31.891 12.310 -26.856 1.00 9.93 O ATOM 1005 CB LEU A1181 -31.590 9.653 -28.636 1.00 9.77 C ATOM 1006 CG LEU A1181 -31.084 8.238 -28.732 1.00 10.03 C ATOM 1007 CD1 LEU A1181 -30.234 8.074 -29.984 1.00 10.01 C ATOM 1008 CD2 LEU A1181 -30.326 7.759 -27.505 1.00 10.38 C ATOM 1009 H LEU A1181 -33.838 8.545 -27.858 1.00 0.00 H ATOM 1010 N ALA A1182 -33.767 11.872 -27.984 1.00 10.19 N ATOM 1011 CA ALA A1182 -34.133 13.279 -28.114 1.00 10.63 C ATOM 1012 C ALA A1182 -34.450 13.859 -26.732 1.00 11.46 C ATOM 1013 O ALA A1182 -34.134 15.001 -26.464 1.00 11.56 O ATOM 1014 CB ALA A1182 -35.286 13.476 -29.059 1.00 10.41 C ATOM 1015 H ALA A1182 -34.383 11.140 -28.392 1.00 0.00 H ATOM 1016 N GLU A1183 -35.061 13.058 -25.878 1.00 12.35 N ATOM 1017 CA GLU A1183 -35.372 13.500 -24.492 1.00 14.11 C ATOM 1018 C GLU A1183 -34.085 13.822 -23.769 1.00 13.87 C ATOM 1019 O GLU A1183 -33.946 14.881 -23.116 1.00 14.10 O ATOM 1020 CB GLU A1183 -36.122 12.431 -23.687 1.00 15.71 C ATOM 1021 CG GLU A1183 -37.540 12.030 -24.087 1.00 19.01 C ATOM 1022 CD GLU A1183 -38.012 10.735 -23.368 1.00 22.79 C ATOM 1023 OE1 GLU A1183 -37.611 10.487 -22.171 1.00 29.31 O ATOM 1024 OE2 GLU A1183 -38.792 9.952 -23.976 1.00 27.54 O ATOM 1025 H GLU A1183 -35.330 12.100 -26.180 1.00 0.00 H ATOM 1026 N VAL A1184 -33.137 12.880 -23.845 1.00 12.84 N ATOM 1027 CA VAL A1184 -31.833 13.065 -23.244 1.00 12.81 C ATOM 1028 C VAL A1184 -31.159 14.292 -23.780 1.00 13.27 C ATOM 1029 O VAL A1184 -30.607 15.078 -23.016 1.00 13.63 O ATOM 1030 CB VAL A1184 -30.943 11.827 -23.461 1.00 12.43 C ATOM 1031 CG1 VAL A1184 -29.520 12.069 -22.991 1.00 12.36 C ATOM 1032 CG2 VAL A1184 -31.534 10.630 -22.739 1.00 12.43 C ATOM 1033 H VAL A1184 -33.342 11.993 -24.348 1.00 0.00 H ATOM 1034 N PHE A1185 -31.173 14.467 -25.101 1.00 13.05 N ATOM 1035 CA PHE A1185 -30.509 15.575 -25.728 1.00 13.51 C ATOM 1036 C PHE A1185 -31.072 16.892 -25.282 1.00 15.54 C ATOM 1037 O PHE A1185 -30.329 17.809 -24.946 1.00 15.08 O ATOM 1038 CB PHE A1185 -30.625 15.511 -27.244 1.00 13.01 C ATOM 1039 CG PHE A1185 -29.758 16.532 -27.949 1.00 13.16 C ATOM 1040 CD1 PHE A1185 -28.378 16.403 -27.905 1.00 13.38 C ATOM 1041 CD2 PHE A1185 -30.289 17.576 -28.692 1.00 13.75 C ATOM 1042 CE1 PHE A1185 -27.551 17.361 -28.512 1.00 13.28 C ATOM 1043 CE2 PHE A1185 -29.467 18.509 -29.334 1.00 13.68 C ATOM 1044 CZ PHE A1185 -28.077 18.384 -29.266 1.00 13.58 C ATOM 1045 H PHE A1185 -31.680 13.781 -25.696 1.00 0.00 H ATOM 1046 N GLU A1186 -32.394 16.979 -25.276 1.00 17.61 N ATOM 1047 CA GLU A1186 -33.028 18.261 -24.870 1.00 22.37 C ATOM 1048 C GLU A1186 -32.611 18.619 -23.450 1.00 24.80 C ATOM 1049 O GLU A1186 -32.255 19.784 -23.187 1.00 25.18 O ATOM 1050 CB GLU A1186 -34.534 18.195 -25.060 1.00 24.47 C ATOM 1051 CG GLU A1186 -34.912 18.239 -26.531 1.00 28.33 C ATOM 1052 CD GLU A1186 -36.372 18.555 -26.788 1.00 32.44 C ATOM 1053 OE1 GLU A1186 -37.240 17.693 -26.491 1.00 37.09 O ATOM 1054 OE2 GLU A1186 -36.631 19.682 -27.290 1.00 36.30 O ATOM 1055 H GLU A1186 -32.979 16.164 -25.551 1.00 0.00 H ATOM 1056 N GLN A1187 -32.528 17.634 -22.554 1.00 25.66 N ATOM 1057 CA GLN A1187 -32.083 17.905 -21.171 1.00 29.10 C ATOM 1058 C GLN A1187 -30.622 18.366 -21.076 1.00 27.74 C ATOM 1059 O GLN A1187 -30.279 19.225 -20.243 1.00 30.45 O ATOM 1060 CB GLN A1187 -32.310 16.672 -20.317 1.00 31.34 C ATOM 1061 CG GLN A1187 -32.150 16.869 -18.810 1.00 37.09 C ATOM 1062 CD GLN A1187 -33.490 17.019 -18.083 1.00 40.43 C ATOM 1063 OE1 GLN A1187 -33.660 16.552 -16.948 1.00 47.93 O ATOM 1064 NE2 GLN A1187 -34.445 17.672 -18.727 1.00 43.42 N ATOM 1065 HE22 GLN A1187 -34.265 18.050 -19.679 1.00 0.00 H ATOM 1066 HE21 GLN A1187 -35.375 17.807 -18.281 1.00 0.00 H ATOM 1067 H GLN A1187 -32.779 16.664 -22.832 1.00 0.00 H ATOM 1068 N GLU A1188 -29.760 17.817 -21.923 1.00 26.15 N ATOM 1069 CA GLU A1188 -28.314 18.089 -21.937 1.00 26.35 C ATOM 1070 C GLU A1188 -27.982 19.472 -22.590 1.00 25.77 C ATOM 1071 O GLU A1188 -27.160 20.236 -22.083 1.00 27.22 O ATOM 1072 CB GLU A1188 -27.597 16.979 -22.730 1.00 27.98 C ATOM 1073 CG GLU A1188 -27.594 15.614 -22.060 1.00 30.62 C ATOM 1074 CD GLU A1188 -26.578 15.445 -20.940 1.00 36.69 C ATOM 1075 OE1 GLU A1188 -25.467 16.040 -21.036 1.00 41.95 O ATOM 1076 OE2 GLU A1188 -26.885 14.676 -19.976 1.00 39.79 O ATOM 1077 H GLU A1188 -30.133 17.148 -22.626 1.00 0.00 H ATOM 1078 N ILE A1189 -28.584 19.748 -23.739 1.00 23.23 N ATOM 1079 CA ILE A1189 -28.107 20.795 -24.639 1.00 22.02 C ATOM 1080 C ILE A1189 -28.448 22.206 -24.177 1.00 24.01 C ATOM 1081 O ILE A1189 -27.649 23.134 -24.414 1.00 22.98 O ATOM 1082 CB ILE A1189 -28.577 20.554 -26.103 1.00 20.65 C ATOM 1083 CG1 ILE A1189 -27.841 21.425 -27.129 1.00 18.98 C ATOM 1084 CG2 ILE A1189 -30.056 20.783 -26.256 1.00 20.68 C ATOM 1085 CD1 ILE A1189 -26.357 21.154 -27.238 1.00 18.77 C ATOM 1086 H ILE A1189 -29.425 19.200 -24.009 1.00 0.00 H ATOM 1087 N ASP A1190 -29.592 22.376 -23.508 1.00 26.35 N ATOM 1088 CA ASP A1190 -30.069 23.738 -23.206 1.00 29.49 C ATOM 1089 C ASP A1190 -29.029 24.607 -22.449 1.00 29.39 C ATOM 1090 O ASP A1190 -28.624 25.647 -22.956 1.00 29.72 O ATOM 1091 CB ASP A1190 -31.434 23.748 -22.488 1.00 32.74 C ATOM 1092 CG ASP A1190 -32.617 23.677 -23.436 1.00 35.68 C ATOM 1093 OD1 ASP A1190 -32.509 23.149 -24.581 1.00 41.21 O ATOM 1094 OD2 ASP A1190 -33.704 24.143 -23.015 1.00 42.83 O ATOM 1095 H ASP A1190 -30.144 21.550 -23.201 1.00 0.00 H ATOM 1096 N PRO A1191 -28.552 24.155 -21.274 1.00 29.04 N ATOM 1097 CA PRO A1191 -27.543 24.956 -20.576 1.00 28.66 C ATOM 1098 C PRO A1191 -26.183 25.022 -21.259 1.00 26.84 C ATOM 1099 O PRO A1191 -25.469 26.009 -21.092 1.00 26.36 O ATOM 1100 CB PRO A1191 -27.403 24.279 -19.207 1.00 28.76 C ATOM 1101 CG PRO A1191 -28.248 23.069 -19.229 1.00 31.08 C ATOM 1102 CD PRO A1191 -28.858 22.892 -20.582 1.00 29.87 C ATOM 1103 N VAL A1192 -25.822 24.020 -22.062 1.00 23.89 N ATOM 1104 CA VAL A1192 -24.563 24.071 -22.777 1.00 24.15 C ATOM 1105 C VAL A1192 -24.643 25.194 -23.797 1.00 25.86 C ATOM 1106 O VAL A1192 -23.688 25.962 -23.948 1.00 26.57 O ATOM 1107 CB VAL A1192 -24.258 22.725 -23.474 1.00 24.02 C ATOM 1108 CG1 VAL A1192 -23.132 22.883 -24.479 1.00 24.77 C ATOM 1109 CG2 VAL A1192 -23.925 21.656 -22.433 1.00 23.47 C ATOM 1110 H VAL A1192 -26.448 23.197 -22.176 1.00 0.00 H ATOM 1111 N MET A1193 -25.782 25.304 -24.485 1.00 25.08 N ATOM 1112 CA MET A1193 -25.944 26.317 -25.506 1.00 27.22 C ATOM 1113 C MET A1193 -25.953 27.704 -24.876 1.00 31.34 C ATOM 1114 O MET A1193 -25.344 28.627 -25.436 1.00 35.14 O ATOM 1115 CB MET A1193 -27.235 26.104 -26.319 1.00 26.68 C ATOM 1116 CG MET A1193 -27.118 24.957 -27.318 1.00 25.35 C ATOM 1117 SD MET A1193 -25.792 25.019 -28.532 1.00 25.61 S ATOM 1118 CE MET A1193 -26.559 26.025 -29.807 1.00 25.82 C ATOM 1119 H MET A1193 -26.566 24.651 -24.284 1.00 0.00 H ATOM 1120 N GLN A1194 -26.653 27.832 -23.744 1.00 32.83 N ATOM 1121 CA GLN A1194 -26.737 29.111 -23.008 1.00 36.89 C ATOM 1122 C GLN A1194 -25.332 29.570 -22.651 1.00 40.04 C ATOM 1123 O GLN A1194 -24.972 30.713 -22.913 1.00 45.30 O ATOM 1124 CB GLN A1194 -27.581 28.971 -21.745 1.00 35.79 C ATOM 1125 H GLN A1194 -27.156 27.003 -23.368 1.00 0.00 H ATOM 1126 N SER A1195 -24.529 28.657 -22.098 1.00 40.05 N ATOM 1127 CA SER A1195 -23.152 28.935 -21.741 1.00 39.85 C ATOM 1128 C SER A1195 -22.231 29.284 -22.929 1.00 41.64 C ATOM 1129 O SER A1195 -21.219 29.952 -22.738 1.00 44.49 O ATOM 1130 CB SER A1195 -22.542 27.746 -20.996 1.00 38.64 C ATOM 1131 OG SER A1195 -22.154 26.726 -21.919 1.00 39.04 O ATOM 1132 HG SER A1195 -22.949 26.418 -22.422 1.00 0.00 H ATOM 1133 H SER A1195 -24.908 27.706 -21.916 1.00 0.00 H ATOM 1134 N LEU A1196 -22.554 28.834 -24.136 1.00 40.02 N ATOM 1135 CA LEU A1196 -21.706 29.094 -25.306 1.00 40.27 C ATOM 1136 C LEU A1196 -21.871 30.518 -25.880 1.00 40.33 C ATOM 1137 O LEU A1196 -22.989 31.034 -26.062 1.00 39.26 O ATOM 1138 CB LEU A1196 -21.910 28.012 -26.386 1.00 39.68 C ATOM 1139 CG LEU A1196 -21.140 26.715 -26.069 1.00 40.12 C ATOM 1140 CD1 LEU A1196 -21.696 25.507 -26.804 1.00 40.35 C ATOM 1141 CD2 LEU A1196 -19.647 26.870 -26.370 1.00 40.51 C ATOM 1142 H LEU A1196 -23.429 28.284 -24.255 1.00 0.00 H TER 1143 LEU A1196 HETATM 1144 O HOH 1 -42.933 -0.361 -25.848 1.00 23.32 O HETATM 1145 O HOH 2 -26.067 10.577 -19.420 1.00 31.65 O HETATM 1146 O HOH 3 -26.929 6.414 -44.479 1.00 22.86 O HETATM 1147 O HOH 4 -28.590 -5.947 -43.199 1.00 27.34 O HETATM 1148 O HOH 5 -45.104 2.776 -26.297 1.00 24.86 O HETATM 1149 O HOH 6 -30.178 25.816 -39.201 1.00 38.62 O HETATM 1150 O HOH 7 -19.966 12.867 -20.852 1.00 28.43 O HETATM 1151 O HOH 8 -13.024 19.528 -33.769 1.00 12.57 O HETATM 1152 O HOH 9 -7.532 26.698 -30.945 1.00 17.02 O HETATM 1153 O HOH 10 -32.058 22.338 -35.840 1.00 22.99 O HETATM 1154 O HOH 11 -26.174 13.904 -44.765 1.00 22.68 O HETATM 1155 O HOH 12 -14.575 24.127 -35.006 1.00 25.09 O HETATM 1156 O HOH 13 -35.893 16.461 -22.302 1.00 25.06 O HETATM 1157 O HOH 14 -20.351 21.168 -21.724 1.00 20.76 O HETATM 1158 O HOH 15 -41.812 3.028 -49.082 1.00 12.75 O HETATM 1159 O HOH 16 -36.177 6.874 -19.443 1.00 30.26 O HETATM 1160 O HOH 17 -41.433 -1.274 -30.205 1.00 12.13 O HETATM 1161 O HOH 18 -33.473 7.230 -39.877 1.00 8.70 O HETATM 1162 O HOH 19 -16.152 9.311 -23.976 1.00 30.11 O HETATM 1163 O HOH 20 -25.122 17.776 -42.222 1.00 24.44 O HETATM 1164 O HOH 21 -32.269 3.861 -50.206 1.00 19.67 O HETATM 1165 O HOH 22 -22.075 0.233 -33.329 1.00 31.11 O HETATM 1166 O HOH 23 -20.351 5.081 -33.430 1.00 15.68 O HETATM 1167 O HOH 24 -30.168 8.864 -40.968 1.00 11.01 O HETATM 1168 O HOH 25 -35.358 4.114 -21.488 1.00 11.58 O HETATM 1169 O HOH 26 -14.038 10.705 -34.832 1.00 19.16 O HETATM 1170 O HOH 27 -35.735 13.733 -45.777 1.00 19.04 O HETATM 1171 O HOH 28 -43.551 6.066 -29.761 1.00 16.28 O HETATM 1172 O HOH 29 -25.168 21.000 -39.605 1.00 19.64 O HETATM 1173 O HOH 30 -29.398 7.417 -38.126 1.00 13.09 O HETATM 1174 O HOH 31 -27.614 19.597 -40.650 1.00 27.82 O HETATM 1175 O HOH 32 -25.308 8.970 -41.410 1.00 13.09 O HETATM 1176 O HOH 33 -35.775 14.285 -42.030 1.00 30.26 O HETATM 1177 O HOH 34 -38.834 17.554 -34.701 1.00 15.15 O HETATM 1178 O HOH 35 -28.176 5.064 -37.935 1.00 9.71 O HETATM 1179 O HOH 36 -22.474 16.504 -43.207 1.00 26.99 O HETATM 1180 O HOH 37 -38.565 12.775 -27.179 1.00 20.82 O HETATM 1181 O HOH 38 -31.853 8.503 -38.073 1.00 10.88 O HETATM 1182 O HOH 39 -48.892 10.112 -30.736 1.00 36.18 O HETATM 1183 O HOH 40 -38.756 0.642 -37.893 1.00 13.16 O HETATM 1184 O HOH 41 -31.286 4.396 -21.549 1.00 11.41 O HETATM 1185 O HOH 42 -36.994 18.406 -17.943 1.00 36.93 O HETATM 1186 O HOH 43 -39.592 13.818 -39.028 1.00 16.91 O HETATM 1187 O HOH 44 -11.483 11.133 -31.874 1.00 18.70 O HETATM 1188 O HOH 45 -31.681 19.621 -38.834 1.00 13.90 O HETATM 1189 O HOH 46 -31.082 7.933 -19.514 1.00 21.05 O HETATM 1190 O HOH 47 -33.071 13.854 -44.519 1.00 15.91 O HETATM 1191 O HOH 48 -16.807 8.648 -35.340 1.00 19.87 O HETATM 1192 O HOH 49 -26.657 23.325 -40.468 1.00 26.96 O HETATM 1193 O HOH 50 -11.041 19.791 -40.951 1.00 22.49 O HETATM 1194 O HOH 51 -22.625 20.643 -40.909 1.00 25.27 O HETATM 1195 O HOH 52 -29.082 1.083 -37.720 1.00 22.62 O HETATM 1196 O HOH 53 -15.201 24.487 -23.821 1.00 25.56 O HETATM 1197 O HOH 54 -27.366 7.205 -41.785 1.00 18.06 O HETATM 1198 O HOH 55 -21.982 0.576 -25.478 1.00 18.62 O HETATM 1199 O HOH 56 -24.821 -0.327 -32.369 1.00 15.33 O HETATM 1200 O HOH 57 -28.710 3.337 -20.937 1.00 12.78 O HETATM 1201 O HOH 58 -14.437 21.869 -33.488 1.00 15.82 O HETATM 1202 O HOH 59 -9.653 18.427 -28.775 1.00 25.94 O HETATM 1203 O HOH 60 -35.090 10.659 -20.852 1.00 29.46 O HETATM 1204 O HOH 61 -32.004 21.742 -29.462 1.00 17.28 O HETATM 1205 O HOH 62 -40.119 15.184 -37.034 1.00 17.85 O HETATM 1206 O HOH 63 -40.647 1.933 -41.932 1.00 10.88 O HETATM 1207 O HOH 64 -43.249 11.437 -36.812 1.00 17.48 O HETATM 1208 O HOH 65 -10.359 11.899 -28.495 1.00 29.64 O HETATM 1209 O HOH 66 -16.668 15.202 -22.275 1.00 21.82 O HETATM 1210 O HOH 67 -29.960 10.173 -49.221 1.00 21.53 O HETATM 1211 O HOH 68 -41.159 1.163 -39.222 1.00 13.08 O HETATM 1212 O HOH 69 -18.840 7.614 -39.726 1.00 24.38 O HETATM 1213 O HOH 70 -42.000 7.812 -29.095 1.00 26.81 O HETATM 1214 O HOH 71 -29.201 -3.057 -32.090 1.00 18.33 O HETATM 1215 O HOH 72 -22.522 -0.706 -30.526 1.00 31.03 O HETATM 1216 O HOH 73 -39.847 5.887 -52.128 1.00 31.33 O HETATM 1217 O HOH 74 -16.263 20.527 -35.025 1.00 11.34 O HETATM 1218 O HOH 75 -14.843 29.212 -27.935 1.00 36.60 O HETATM 1219 O HOH 76 -8.552 14.576 -27.293 1.00 17.50 O HETATM 1220 O HOH 77 -17.817 7.032 -33.036 1.00 23.43 O HETATM 1221 O HOH 78 -11.908 22.504 -40.639 1.00 32.85 O HETATM 1222 O HOH 79 -33.811 17.800 -39.679 1.00 20.93 O HETATM 1223 O HOH 80 -30.354 -1.504 -34.423 1.00 26.06 O HETATM 1224 O HOH 81 -35.140 -2.159 -34.880 1.00 26.35 O HETATM 1225 O HOH 82 -20.733 1.990 -35.190 1.00 25.47 O HETATM 1226 O HOH 83 -19.287 8.457 -21.587 1.00 28.97 O HETATM 1227 O HOH 84 -33.163 4.823 -19.773 1.00 12.85 O HETATM 1228 O HOH 85 -27.322 4.894 -19.099 1.00 32.11 O HETATM 1229 O HOH 86 -28.332 18.427 -44.640 1.00 30.76 O HETATM 1230 O HOH 87 -20.691 0.444 -31.025 1.00 21.43 O HETATM 1231 O HOH 88 -38.069 16.178 -23.281 1.00 35.17 O HETATM 1232 O HOH 89 -37.963 15.058 -41.491 1.00 34.43 O HETATM 1233 O HOH 90 -32.443 24.620 -34.426 1.00 25.11 O HETATM 1234 O HOH 91 -20.328 5.707 -19.970 1.00 36.90 O HETATM 1235 O HOH 92 -23.897 9.626 -43.664 1.00 25.88 O HETATM 1236 O HOH 93 -13.729 16.369 -26.003 1.00 33.05 O HETATM 1237 O HOH 94 -50.166 7.837 -31.182 1.00 29.23 O HETATM 1238 O HOH 95 -35.461 17.396 -41.685 1.00 10.29 O HETATM 1239 O HOH 96 -33.997 25.434 -27.836 1.00 36.86 O HETATM 1240 O HOH 97 -41.225 14.096 -32.630 1.00 35.75 O HETATM 1241 O HOH 98 -8.435 11.709 -30.476 1.00 17.23 O HETATM 1242 O HOH 99 -29.628 2.737 -51.387 1.00 28.52 O HETATM 1243 O HOH 100 -41.787 5.128 -50.758 1.00 40.25 O HETATM 1244 O HOH 101 -17.804 4.403 -34.856 1.00 38.88 O HETATM 1245 O HOH 102 -19.785 3.230 -31.438 1.00 23.92 O HETATM 1246 O HOH 103 -27.551 9.268 -49.278 1.00 31.83 O HETATM 1247 O HOH 104 -30.196 23.545 -28.766 1.00 24.73 O HETATM 1248 O HOH 105 -40.643 16.331 -32.573 1.00 26.13 O HETATM 1249 C1 UNN A 106 -31.780 4.133 -37.777 1.00 -0.04 C HETATM 1250 C2 UNN A 106 -31.756 3.054 -38.838 1.00 0.05 C HETATM 1251 C3 UNN A 106 -32.604 3.476 -40.037 1.00 0.06 C HETATM 1252 C4 UNN A 106 -34.074 3.644 -39.678 1.00 0.20 C HETATM 1253 O UNN A 106 -34.540 4.774 -39.492 1.00 -0.39 O HETATM 1254 N1 UNN A 106 -34.852 2.583 -39.514 1.00 -0.24 N HETATM 1255 C5 UNN A 106 -34.411 1.326 -39.566 1.00 0.09 C HETATM 1256 C10 UNN A 106 -35.247 0.399 -40.203 1.00 -0.05 C HETATM 1257 C9 UNN A 106 -34.788 -0.940 -40.259 1.00 -0.09 C HETATM 1258 C8 UNN A 106 -33.552 -1.287 -39.713 1.00 -0.09 C HETATM 1259 C7 UNN A 106 -32.742 -0.339 -39.097 1.00 -0.06 C HETATM 1260 C6 UNN A 106 -33.165 0.972 -39.021 1.00 0.06 C HETATM 1261 N2 UNN A 106 -32.284 1.785 -38.371 1.00 -0.32 N HETATM 1262 H12 UNN A 106 -31.958 1.464 -37.448 1.00 0.17 H HETATM 1263 H11 UNN A 106 -31.785 -0.628 -38.679 1.00 0.05 H HETATM 1264 H10 UNN A 106 -33.216 -2.316 -39.770 1.00 0.05 H HETATM 1265 H9 UNN A 106 -35.401 -1.700 -40.729 1.00 0.05 H HETATM 1266 H8 UNN A 106 -36.198 0.692 -40.632 1.00 0.05 H HETATM 1267 H7 UNN A 106 -35.825 2.734 -39.341 1.00 0.22 H HETATM 1268 H5 UNN A 106 -32.517 2.708 -40.819 1.00 0.05 H HETATM 1269 H6 UNN A 106 -32.222 4.434 -40.420 1.00 0.05 H HETATM 1270 H4 UNN A 106 -30.714 2.909 -39.159 1.00 0.06 H HETATM 1271 H1 UNN A 106 -31.369 5.065 -38.192 1.00 0.03 H HETATM 1272 H2 UNN A 106 -31.172 3.815 -36.917 1.00 0.03 H HETATM 1273 H3 UNN A 106 -32.816 4.303 -37.450 1.00 0.03 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1249 1250 1271 1272 1273 CONECT 1250 1249 1251 1261 1270 CONECT 1251 1250 1252 1268 1269 CONECT 1252 1251 1253 1254 CONECT 1253 1252 CONECT 1254 1252 1255 1267 CONECT 1255 1254 1256 1260 CONECT 1256 1255 1257 1266 CONECT 1257 1256 1258 1265 CONECT 1258 1257 1259 1264 CONECT 1259 1258 1260 1263 CONECT 1260 1255 1259 1261 CONECT 1261 1250 1260 1262 CONECT 1262 1261 CONECT 1263 1259 CONECT 1264 1258 CONECT 1265 1257 CONECT 1266 1256 CONECT 1267 1254 CONECT 1268 1251 CONECT 1269 1251 CONECT 1270 1250 CONECT 1271 1249 CONECT 1272 1249 CONECT 1273 1249 MASTER 0 0 0 0 0 0 0 0 1272 1 29 9 END
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5mmg
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5mpz
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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
4yk0
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
CREB-binding protein, CBP bromodomain
Ligand Name
98
EC.Number
E.C.2.3.1.48
Resolution
1.65(Å)
Affinity (Kd/Ki/IC50)
Kd=181uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Biol.Chem. Vol. 291: pp. 13014-13027
Ligand Properties
Formula
C
1
0
H
1
2
N
2
O
Molecular Weight
176.215
Exact Mass
176.095
No. of atoms
25
No. of bonds
26
Polar Surface Area
41.13
LOGP Value
1.22 (
Computed with XLOGP3
)
2.11 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
Canonical SMILES
C[C@@H]1CC(=O)Nc2c(N1)cccc2
InChI String
InChI=1S/C10H12N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5,7,11H,6H2,1H3,(H,12,13)/t7-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q92793
Entrez Gene ID
NCBI Entrez Gene ID:
1387
ASD
Information of known allosteric effects of PDB entries
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