Browse entries in the PDBbind-CN Database
HEADER 5J0D_COMPLEX COMPND 5J0D_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 117 ARG LYS LYS ILE PHE LYS PRO GLU GLU LEU ARG GLN ALA SEQRES 2 A 117 LEU MET PRO THR LEU GLU ALA LEU TYR ARG GLN ASP PRO SEQRES 3 A 117 GLU SER LEU PRO PHE ARG GLN PRO VAL ASP PRO GLN LEU SEQRES 4 A 117 LEU GLY ILE PRO ASP TYR PHE ASP ILE VAL LYS ASN PRO SEQRES 5 A 117 MET ASP LEU SER THR ILE LYS ARG LYS LEU ASP THR GLY SEQRES 6 A 117 GLN TYR GLN GLU PRO TRP GLN TYR VAL ASP ASP VAL TRP SEQRES 7 A 117 LEU MET PHE ASN ASN ALA TRP LEU TYR ASN ARG LYS THR SEQRES 8 A 117 SER ARG VAL TYR LYS PHE CYS SER LYS LEU ALA GLU VAL SEQRES 9 A 117 PHE GLU GLN GLU ILE ASP PRO VAL MET GLN SER LEU GLY HET UNN A 245 71 ATOM 1 N ARG A1081 10.096 50.115 -3.564 1.00 44.76 N ATOM 2 CA ARG A1081 9.322 50.369 -2.305 1.00 44.50 C ATOM 3 C ARG A1081 9.283 49.091 -1.431 1.00 43.57 C ATOM 4 O ARG A1081 10.347 48.530 -1.156 1.00 41.29 O ATOM 5 CB ARG A1081 7.935 50.945 -2.653 1.00 45.55 C ATOM 6 CG ARG A1081 7.116 50.124 -3.639 1.00 45.45 C ATOM 7 CD ARG A1081 5.711 50.691 -3.774 1.00 45.45 C ATOM 8 HN3 ARG A1081 9.641 49.350 -4.101 1.00 0.00 H ATOM 9 HN2 ARG A1081 11.069 49.839 -3.322 1.00 0.00 H ATOM 10 HN1 ARG A1081 10.113 50.981 -4.140 1.00 0.00 H ATOM 11 N LYS A1082 8.108 48.645 -0.970 1.00 43.63 N ATOM 12 CA LYS A1082 7.975 47.337 -0.311 1.00 43.46 C ATOM 13 C LYS A1082 8.089 46.229 -1.351 1.00 42.34 C ATOM 14 O LYS A1082 7.391 46.254 -2.371 1.00 44.01 O ATOM 15 CB LYS A1082 6.633 47.209 0.419 1.00 43.68 C ATOM 16 H LYS A1082 7.263 49.242 -1.081 1.00 0.00 H ATOM 17 N LYS A1083 8.970 45.269 -1.084 1.00 40.75 N ATOM 18 CA LYS A1083 9.221 44.157 -1.992 1.00 39.29 C ATOM 19 C LYS A1083 8.155 43.094 -1.789 1.00 35.90 C ATOM 20 O LYS A1083 7.885 42.701 -0.659 1.00 36.10 O ATOM 21 CB LYS A1083 10.603 43.559 -1.726 1.00 40.45 C ATOM 22 CG LYS A1083 11.069 42.594 -2.797 1.00 41.34 C ATOM 23 CD LYS A1083 12.559 42.338 -2.677 1.00 42.69 C ATOM 24 CE LYS A1083 13.013 41.301 -3.689 1.00 44.01 C ATOM 25 NZ LYS A1083 14.499 41.191 -3.716 1.00 44.85 N ATOM 26 HZ1 LYS A1083 14.909 42.111 -3.975 1.00 0.00 H ATOM 27 HZ2 LYS A1083 14.842 40.910 -2.775 1.00 0.00 H ATOM 28 HZ3 LYS A1083 14.780 40.475 -4.416 1.00 0.00 H ATOM 29 H LYS A1083 9.501 45.314 -0.191 1.00 0.00 H ATOM 30 N ILE A1084 7.558 42.656 -2.888 1.00 33.08 N ATOM 31 CA ILE A1084 6.518 41.637 -2.870 1.00 31.68 C ATOM 32 C ILE A1084 7.207 40.307 -3.151 1.00 28.63 C ATOM 33 O ILE A1084 8.019 40.211 -4.078 1.00 30.58 O ATOM 34 CB ILE A1084 5.449 41.896 -3.965 1.00 33.05 C ATOM 35 CG1 ILE A1084 4.936 43.354 -3.955 1.00 34.48 C ATOM 36 CG2 ILE A1084 4.286 40.920 -3.828 1.00 33.79 C ATOM 37 CD1 ILE A1084 4.083 43.735 -2.762 1.00 34.67 C ATOM 38 H ILE A1084 7.845 43.058 -3.803 1.00 0.00 H ATOM 39 N PHE A1085 6.894 39.288 -2.349 1.00 24.90 N ATOM 40 CA PHE A1085 7.409 37.932 -2.556 1.00 23.20 C ATOM 41 C PHE A1085 6.264 36.986 -2.876 1.00 22.79 C ATOM 42 O PHE A1085 5.325 36.848 -2.070 1.00 24.60 O ATOM 43 CB PHE A1085 8.124 37.427 -1.315 1.00 22.46 C ATOM 44 CG PHE A1085 9.295 38.265 -0.911 1.00 22.27 C ATOM 45 CD1 PHE A1085 9.143 39.329 -0.044 1.00 22.08 C ATOM 46 CD2 PHE A1085 10.561 37.976 -1.407 1.00 22.76 C ATOM 47 CE1 PHE A1085 10.230 40.100 0.305 1.00 22.56 C ATOM 48 CE2 PHE A1085 11.653 38.728 -1.053 1.00 23.00 C ATOM 49 CZ PHE A1085 11.487 39.792 -0.188 1.00 22.63 C ATOM 50 H PHE A1085 6.259 39.463 -1.544 1.00 0.00 H ATOM 51 N LYS A1086 6.377 36.270 -3.991 1.00 20.80 N ATOM 52 CA LYS A1086 5.404 35.260 -4.359 1.00 20.30 C ATOM 53 C LYS A1086 5.661 33.989 -3.544 1.00 18.17 C ATOM 54 O LYS A1086 6.818 33.622 -3.279 1.00 18.81 O ATOM 55 CB LYS A1086 5.459 34.963 -5.852 1.00 22.14 C ATOM 56 CG LYS A1086 5.081 36.161 -6.715 1.00 24.87 C ATOM 57 CD LYS A1086 5.199 35.866 -8.203 1.00 27.87 C ATOM 58 CE LYS A1086 4.821 37.056 -9.084 1.00 30.55 C ATOM 59 NZ LYS A1086 4.953 36.716 -10.528 1.00 32.76 N ATOM 60 HZ1 LYS A1086 5.937 36.450 -10.732 1.00 0.00 H ATOM 61 HZ2 LYS A1086 4.323 35.920 -10.754 1.00 0.00 H ATOM 62 HZ3 LYS A1086 4.690 37.542 -11.103 1.00 0.00 H ATOM 63 H LYS A1086 7.189 36.440 -4.619 1.00 0.00 H ATOM 64 N PRO A1087 4.581 33.331 -3.133 1.00 18.33 N ATOM 65 CA PRO A1087 4.787 32.160 -2.272 1.00 18.01 C ATOM 66 C PRO A1087 5.663 31.044 -2.921 1.00 17.71 C ATOM 67 O PRO A1087 6.423 30.389 -2.215 1.00 16.57 O ATOM 68 CB PRO A1087 3.360 31.678 -1.975 1.00 19.78 C ATOM 69 CG PRO A1087 2.489 32.357 -2.962 1.00 20.34 C ATOM 70 CD PRO A1087 3.157 33.645 -3.333 1.00 19.73 C ATOM 71 N GLU A1088 5.583 30.864 -4.241 1.00 18.37 N ATOM 72 CA GLU A1088 6.425 29.861 -4.916 1.00 18.86 C ATOM 73 C GLU A1088 7.909 30.212 -4.931 1.00 19.30 C ATOM 74 O GLU A1088 8.761 29.321 -4.899 1.00 19.64 O ATOM 75 CB GLU A1088 5.948 29.605 -6.348 1.00 20.84 C ATOM 76 CG GLU A1088 6.180 30.723 -7.351 1.00 22.50 C ATOM 77 CD GLU A1088 5.080 31.770 -7.377 1.00 23.33 C ATOM 78 OE1 GLU A1088 4.213 31.807 -6.462 1.00 24.45 O ATOM 79 OE2 GLU A1088 5.034 32.512 -8.394 1.00 25.33 O ATOM 80 H GLU A1088 4.919 31.438 -4.799 1.00 0.00 H ATOM 81 N GLU A1089 8.234 31.492 -5.008 1.00 19.36 N ATOM 82 CA GLU A1089 9.602 31.949 -4.913 1.00 20.54 C ATOM 83 C GLU A1089 10.184 31.766 -3.505 1.00 19.54 C ATOM 84 O GLU A1089 11.350 31.348 -3.338 1.00 20.20 O ATOM 85 CB GLU A1089 9.680 33.431 -5.284 1.00 23.21 C ATOM 86 CG GLU A1089 9.280 33.729 -6.725 1.00 26.94 C ATOM 87 CD GLU A1089 8.924 35.186 -6.993 1.00 29.68 C ATOM 88 OE1 GLU A1089 8.769 36.037 -6.051 1.00 30.55 O ATOM 89 OE2 GLU A1089 8.760 35.451 -8.204 1.00 33.48 O ATOM 90 H GLU A1089 7.479 32.194 -5.142 1.00 0.00 H ATOM 91 N LEU A1090 9.409 32.113 -2.468 1.00 17.46 N ATOM 92 CA LEU A1090 9.845 31.856 -1.116 1.00 16.46 C ATOM 93 C LEU A1090 10.078 30.387 -0.916 1.00 15.67 C ATOM 94 O LEU A1090 11.065 29.995 -0.300 1.00 15.86 O ATOM 95 CB LEU A1090 8.814 32.383 -0.108 1.00 16.58 C ATOM 96 CG LEU A1090 8.708 33.905 -0.041 1.00 17.81 C ATOM 97 CD1 LEU A1090 7.635 34.339 0.939 1.00 18.31 C ATOM 98 CD2 LEU A1090 10.044 34.505 0.332 1.00 18.40 C ATOM 99 H LEU A1090 8.490 32.569 -2.638 1.00 0.00 H ATOM 100 N ARG A1091 9.161 29.564 -1.416 1.00 14.66 N ATOM 101 CA ARG A1091 9.323 28.129 -1.201 1.00 14.88 C ATOM 102 C ARG A1091 10.588 27.624 -1.885 1.00 14.88 C ATOM 103 O ARG A1091 11.397 26.903 -1.279 1.00 14.96 O ATOM 104 CB ARG A1091 8.075 27.359 -1.614 1.00 16.36 C ATOM 105 CG ARG A1091 8.160 25.892 -1.230 1.00 17.64 C ATOM 106 CD ARG A1091 6.970 25.074 -1.703 1.00 19.97 C ATOM 107 NE ARG A1091 6.934 23.729 -1.117 1.00 21.87 N ATOM 108 CZ ARG A1091 7.686 22.680 -1.488 1.00 24.56 C ATOM 109 NH1 ARG A1091 8.567 22.762 -2.486 1.00 26.29 N ATOM 110 NH2 ARG A1091 7.542 21.520 -0.857 1.00 26.34 N ATOM 111 HE ARG A1091 6.261 23.573 -0.339 1.00 0.00 H ATOM 112 HH12 ARG A1091 9.134 21.931 -2.749 1.00 0.00 H ATOM 113 HH11 ARG A1091 8.687 23.657 -3.002 1.00 0.00 H ATOM 114 HH22 ARG A1091 8.119 20.701 -1.136 1.00 0.00 H ATOM 115 HH21 ARG A1091 6.852 21.431 -0.084 1.00 0.00 H ATOM 116 H ARG A1091 8.347 29.934 -1.948 1.00 0.00 H ATOM 117 N GLN A1092 10.778 27.996 -3.154 1.00 14.81 N ATOM 118 CA GLN A1092 11.963 27.507 -3.875 1.00 15.66 C ATOM 119 C GLN A1092 13.260 27.940 -3.190 1.00 15.49 C ATOM 120 O GLN A1092 14.211 27.169 -3.089 1.00 16.04 O ATOM 121 CB GLN A1092 11.935 27.997 -5.311 1.00 16.63 C ATOM 122 CG GLN A1092 12.985 27.331 -6.184 1.00 17.99 C ATOM 123 CD GLN A1092 13.094 27.908 -7.585 1.00 19.11 C ATOM 124 OE1 GLN A1092 12.663 29.043 -7.847 1.00 21.91 O ATOM 125 NE2 GLN A1092 13.656 27.127 -8.500 1.00 20.43 N ATOM 126 HE22 GLN A1092 14.003 26.183 -8.236 1.00 0.00 H ATOM 127 HE21 GLN A1092 13.749 27.459 -9.481 1.00 0.00 H ATOM 128 H GLN A1092 10.096 28.624 -3.626 1.00 0.00 H ATOM 129 N ALA A1093 13.294 29.172 -2.728 1.00 15.16 N ATOM 130 CA ALA A1093 14.506 29.697 -2.142 1.00 15.58 C ATOM 131 C ALA A1093 14.756 29.175 -0.730 1.00 14.99 C ATOM 132 O ALA A1093 15.900 28.874 -0.362 1.00 15.74 O ATOM 133 CB ALA A1093 14.427 31.192 -2.051 1.00 16.00 C ATOM 134 H ALA A1093 12.445 29.770 -2.785 1.00 0.00 H ATOM 135 N LEU A1094 13.693 29.065 0.084 1.00 14.11 N ATOM 136 CA LEU A1094 13.852 28.775 1.502 1.00 14.00 C ATOM 137 C LEU A1094 13.793 27.305 1.810 1.00 13.98 C ATOM 138 O LEU A1094 14.397 26.876 2.805 1.00 13.94 O ATOM 139 CB LEU A1094 12.823 29.551 2.337 1.00 13.89 C ATOM 140 CG LEU A1094 12.929 31.071 2.291 1.00 14.64 C ATOM 141 CD1 LEU A1094 11.684 31.694 2.894 1.00 14.94 C ATOM 142 CD2 LEU A1094 14.204 31.539 2.963 1.00 15.33 C ATOM 143 H LEU A1094 12.737 29.189 -0.307 1.00 0.00 H ATOM 144 N MET A1095 13.081 26.488 1.018 1.00 14.53 N ATOM 145 CA MET A1095 12.967 25.063 1.361 1.00 15.25 C ATOM 146 C MET A1095 14.328 24.364 1.532 1.00 15.24 C ATOM 147 O MET A1095 14.442 23.528 2.438 1.00 15.15 O ATOM 148 CB MET A1095 12.018 24.291 0.405 1.00 17.30 C ATOM 149 CG MET A1095 11.549 22.943 0.936 1.00 18.89 C ATOM 150 SD MET A1095 10.573 22.937 2.443 1.00 21.56 S ATOM 151 CE MET A1095 8.961 23.418 1.834 1.00 21.35 C ATOM 152 H MET A1095 12.613 26.861 0.167 1.00 0.00 H ATOM 153 N PRO A1096 15.353 24.703 0.741 1.00 15.07 N ATOM 154 CA PRO A1096 16.618 23.989 0.945 1.00 15.89 C ATOM 155 C PRO A1096 17.200 24.264 2.339 1.00 14.97 C ATOM 156 O PRO A1096 17.912 23.406 2.874 1.00 15.13 O ATOM 157 CB PRO A1096 17.516 24.545 -0.177 1.00 16.72 C ATOM 158 CG PRO A1096 16.549 24.884 -1.265 1.00 17.11 C ATOM 159 CD PRO A1096 15.329 25.418 -0.556 1.00 16.32 C ATOM 160 N THR A1097 16.925 25.439 2.901 1.00 14.72 N ATOM 161 CA THR A1097 17.421 25.734 4.255 1.00 13.95 C ATOM 162 C THR A1097 16.692 24.884 5.303 1.00 13.77 C ATOM 163 O THR A1097 17.313 24.490 6.299 1.00 15.00 O ATOM 164 CB THR A1097 17.377 27.228 4.588 1.00 13.97 C ATOM 165 OG1 THR A1097 16.031 27.669 4.825 1.00 13.51 O ATOM 166 CG2 THR A1097 18.048 28.065 3.524 1.00 14.54 C ATOM 167 HG1 THR A1097 15.485 27.510 4.015 1.00 0.00 H ATOM 168 H THR A1097 16.362 26.145 2.386 1.00 0.00 H ATOM 169 N LEU A1098 15.417 24.609 5.075 1.00 13.58 N ATOM 170 CA LEU A1098 14.656 23.723 5.963 1.00 13.63 C ATOM 171 C LEU A1098 15.096 22.268 5.796 1.00 13.58 C ATOM 172 O LEU A1098 15.249 21.523 6.799 1.00 13.96 O ATOM 173 CB LEU A1098 13.168 23.902 5.719 1.00 14.38 C ATOM 174 CG LEU A1098 12.313 23.414 6.912 1.00 15.87 C ATOM 175 CD1 LEU A1098 12.490 24.267 8.140 1.00 15.96 C ATOM 176 CD2 LEU A1098 10.850 23.389 6.502 1.00 16.74 C ATOM 177 H LEU A1098 14.945 25.030 4.249 1.00 0.00 H ATOM 178 N GLU A1099 15.331 21.868 4.544 1.00 14.42 N ATOM 179 CA GLU A1099 15.794 20.510 4.263 1.00 15.07 C ATOM 180 C GLU A1099 17.133 20.230 4.942 1.00 14.06 C ATOM 181 O GLU A1099 17.349 19.103 5.430 1.00 15.35 O ATOM 182 CB GLU A1099 15.937 20.327 2.767 1.00 17.58 C ATOM 183 CG GLU A1099 16.278 18.912 2.392 1.00 21.48 C ATOM 184 CD GLU A1099 16.402 18.733 0.892 1.00 25.28 C ATOM 185 OE1 GLU A1099 15.875 19.599 0.139 1.00 28.73 O ATOM 186 OE2 GLU A1099 17.024 17.723 0.460 1.00 29.92 O ATOM 187 H GLU A1099 15.183 22.532 3.757 1.00 0.00 H ATOM 188 N ALA A1100 17.999 21.245 5.026 1.00 13.96 N ATOM 189 CA ALA A1100 19.268 21.104 5.704 1.00 14.65 C ATOM 190 C ALA A1100 19.057 20.726 7.176 1.00 14.11 C ATOM 191 O ALA A1100 19.843 19.976 7.752 1.00 15.29 O ATOM 192 CB ALA A1100 20.068 22.375 5.615 1.00 14.76 C ATOM 193 H ALA A1100 17.754 22.158 4.593 1.00 0.00 H ATOM 194 N LEU A1101 18.015 21.250 7.800 1.00 13.71 N ATOM 195 CA LEU A1101 17.714 20.893 9.186 1.00 13.57 C ATOM 196 C LEU A1101 17.160 19.485 9.270 1.00 13.29 C ATOM 197 O LEU A1101 17.590 18.683 10.112 1.00 13.65 O ATOM 198 CB LEU A1101 16.744 21.884 9.796 1.00 13.58 C ATOM 199 CG LEU A1101 17.251 23.307 9.778 1.00 13.85 C ATOM 200 CD1 LEU A1101 16.302 24.195 10.561 1.00 14.50 C ATOM 201 CD2 LEU A1101 18.687 23.424 10.294 1.00 15.39 C ATOM 202 H LEU A1101 17.402 21.924 7.299 1.00 0.00 H ATOM 203 N TYR A1102 16.192 19.158 8.409 1.00 13.93 N ATOM 204 CA TYR A1102 15.631 17.789 8.378 1.00 14.65 C ATOM 205 C TYR A1102 16.689 16.692 8.165 1.00 15.60 C ATOM 206 O TYR A1102 16.594 15.588 8.720 1.00 17.08 O ATOM 207 CB TYR A1102 14.589 17.652 7.279 1.00 15.38 C ATOM 208 CG TYR A1102 13.181 18.001 7.620 1.00 16.51 C ATOM 209 CD1 TYR A1102 12.334 17.066 8.195 1.00 16.43 C ATOM 210 CD2 TYR A1102 12.671 19.261 7.329 1.00 16.59 C ATOM 211 CE1 TYR A1102 11.002 17.397 8.497 1.00 17.60 C ATOM 212 CE2 TYR A1102 11.366 19.606 7.612 1.00 17.36 C ATOM 213 CZ TYR A1102 10.531 18.668 8.188 1.00 17.02 C ATOM 214 OH TYR A1102 9.235 19.046 8.460 1.00 18.95 O ATOM 215 HH TYR A1102 8.749 18.286 8.868 1.00 0.00 H ATOM 216 H TYR A1102 15.827 19.876 7.751 1.00 0.00 H ATOM 217 N ARG A1103 17.726 17.005 7.401 1.00 15.50 N ATOM 218 CA ARG A1103 18.774 16.044 7.097 1.00 17.10 C ATOM 219 C ARG A1103 19.626 15.690 8.301 1.00 16.21 C ATOM 220 O ARG A1103 20.311 14.667 8.272 1.00 18.11 O ATOM 221 CB ARG A1103 19.663 16.584 5.936 1.00 20.12 C ATOM 222 CG ARG A1103 19.132 16.341 4.530 1.00 23.86 C ATOM 223 CD ARG A1103 20.265 16.376 3.494 1.00 26.26 C ATOM 224 NE ARG A1103 20.934 17.664 3.537 1.00 28.15 N ATOM 225 CZ ARG A1103 20.604 18.750 2.837 1.00 28.09 C ATOM 226 NH1 ARG A1103 19.627 18.738 1.929 1.00 28.94 N ATOM 227 NH2 ARG A1103 21.283 19.865 3.044 1.00 28.20 N ATOM 228 HE ARG A1103 21.750 17.748 4.176 1.00 0.00 H ATOM 229 HH12 ARG A1103 19.397 19.604 1.401 1.00 0.00 H ATOM 230 HH11 ARG A1103 19.095 17.862 1.749 1.00 0.00 H ATOM 231 HH22 ARG A1103 21.045 20.725 2.511 1.00 0.00 H ATOM 232 HH21 ARG A1103 22.055 19.882 3.740 1.00 0.00 H ATOM 233 H ARG A1103 17.792 17.966 7.008 1.00 0.00 H ATOM 234 N GLN A1104 19.588 16.491 9.367 1.00 14.86 N ATOM 235 CA GLN A1104 20.396 16.197 10.524 1.00 14.88 C ATOM 236 C GLN A1104 19.773 15.074 11.328 1.00 14.77 C ATOM 237 O GLN A1104 18.634 15.185 11.831 1.00 14.38 O ATOM 238 CB GLN A1104 20.527 17.442 11.393 1.00 15.20 C ATOM 239 CG GLN A1104 21.084 18.682 10.701 1.00 16.27 C ATOM 240 CD GLN A1104 22.327 18.430 9.888 1.00 17.77 C ATOM 241 OE1 GLN A1104 23.293 17.913 10.417 1.00 19.46 O ATOM 242 NE2 GLN A1104 22.325 18.802 8.610 1.00 18.08 N ATOM 243 HE22 GLN A1104 21.477 19.241 8.197 1.00 0.00 H ATOM 244 HE21 GLN A1104 23.171 18.654 8.024 1.00 0.00 H ATOM 245 H GLN A1104 18.974 17.330 9.363 1.00 0.00 H ATOM 246 N ASP A1105 20.504 13.978 11.488 1.00 15.00 N ATOM 247 CA ASP A1105 20.033 12.826 12.308 1.00 16.03 C ATOM 248 C ASP A1105 21.190 12.493 13.200 1.00 15.92 C ATOM 249 O ASP A1105 22.283 12.282 12.656 1.00 16.79 O ATOM 250 CB ASP A1105 19.686 11.631 11.399 1.00 17.75 C ATOM 251 CG ASP A1105 19.081 10.419 12.161 1.00 18.95 C ATOM 252 OD1 ASP A1105 19.572 9.970 13.228 1.00 19.47 O ATOM 253 OD2 ASP A1105 18.091 9.846 11.619 1.00 23.27 O ATOM 254 H ASP A1105 21.434 13.921 11.027 1.00 0.00 H ATOM 255 N PRO A1106 21.017 12.440 14.522 1.00 15.55 N ATOM 256 CA PRO A1106 19.727 12.434 15.224 1.00 14.64 C ATOM 257 C PRO A1106 19.146 13.817 15.539 1.00 13.69 C ATOM 258 O PRO A1106 18.069 13.884 16.122 1.00 13.85 O ATOM 259 CB PRO A1106 20.064 11.716 16.523 1.00 15.69 C ATOM 260 CG PRO A1106 21.461 12.156 16.755 1.00 16.07 C ATOM 261 CD PRO A1106 22.134 12.160 15.436 1.00 16.21 C ATOM 262 N GLU A1107 19.849 14.908 15.186 1.00 13.12 N ATOM 263 CA GLU A1107 19.554 16.215 15.805 1.00 13.01 C ATOM 264 C GLU A1107 18.186 16.757 15.451 1.00 12.37 C ATOM 265 O GLU A1107 17.610 17.474 16.269 1.00 12.19 O ATOM 266 CB GLU A1107 20.657 17.224 15.528 1.00 13.46 C ATOM 267 CG GLU A1107 22.000 16.804 16.103 1.00 14.38 C ATOM 268 CD GLU A1107 22.890 16.005 15.167 1.00 15.62 C ATOM 269 OE1 GLU A1107 22.418 15.453 14.170 1.00 16.15 O ATOM 270 OE2 GLU A1107 24.107 15.939 15.485 1.00 18.50 O ATOM 271 H GLU A1107 20.603 14.830 14.474 1.00 0.00 H ATOM 272 N SER A1108 17.649 16.459 14.259 1.00 12.24 N ATOM 273 CA SER A1108 16.331 17.008 13.927 1.00 12.38 C ATOM 274 C SER A1108 15.210 16.217 14.535 1.00 11.79 C ATOM 275 O SER A1108 14.064 16.684 14.480 1.00 11.90 O ATOM 276 CB SER A1108 16.101 17.103 12.424 1.00 13.08 C ATOM 277 OG SER A1108 15.948 15.833 11.840 1.00 14.12 O ATOM 278 HG SER A1108 16.766 15.298 11.997 1.00 0.00 H ATOM 279 H SER A1108 18.157 15.851 13.585 1.00 0.00 H ATOM 280 N LEU A1109 15.452 15.011 15.050 1.00 12.34 N ATOM 281 CA LEU A1109 14.337 14.135 15.443 1.00 12.88 C ATOM 282 C LEU A1109 13.353 14.765 16.428 1.00 12.20 C ATOM 283 O LEU A1109 12.148 14.630 16.215 1.00 12.48 O ATOM 284 CB LEU A1109 14.820 12.773 15.911 1.00 14.09 C ATOM 285 CG LEU A1109 15.519 11.971 14.815 1.00 16.75 C ATOM 286 CD1 LEU A1109 16.078 10.727 15.426 1.00 17.71 C ATOM 287 CD2 LEU A1109 14.657 11.678 13.625 1.00 18.39 C ATOM 288 H LEU A1109 16.433 14.688 15.174 1.00 0.00 H ATOM 289 N PRO A1110 13.806 15.494 17.444 1.00 11.42 N ATOM 290 CA PRO A1110 12.847 16.128 18.344 1.00 11.65 C ATOM 291 C PRO A1110 12.024 17.243 17.754 1.00 11.31 C ATOM 292 O PRO A1110 11.042 17.645 18.396 1.00 11.92 O ATOM 293 CB PRO A1110 13.709 16.691 19.465 1.00 11.88 C ATOM 294 CG PRO A1110 14.990 15.942 19.369 1.00 12.24 C ATOM 295 CD PRO A1110 15.182 15.668 17.915 1.00 11.94 C ATOM 296 N PHE A1111 12.417 17.730 16.584 1.00 10.87 N ATOM 297 CA PHE A1111 11.854 18.929 15.972 1.00 10.93 C ATOM 298 C PHE A1111 10.976 18.631 14.772 1.00 11.82 C ATOM 299 O PHE A1111 10.396 19.559 14.199 1.00 11.86 O ATOM 300 CB PHE A1111 12.977 19.863 15.535 1.00 11.14 C ATOM 301 CG PHE A1111 13.857 20.242 16.669 1.00 11.58 C ATOM 302 CD1 PHE A1111 13.553 21.350 17.453 1.00 12.86 C ATOM 303 CD2 PHE A1111 14.984 19.497 16.994 1.00 12.33 C ATOM 304 CE1 PHE A1111 14.339 21.697 18.537 1.00 13.49 C ATOM 305 CE2 PHE A1111 15.768 19.857 18.087 1.00 13.22 C ATOM 306 CZ PHE A1111 15.443 20.949 18.846 1.00 13.77 C ATOM 307 H PHE A1111 13.171 17.228 16.073 1.00 0.00 H ATOM 308 N ARG A1112 10.850 17.373 14.360 1.00 12.16 N ATOM 309 CA ARG A1112 10.131 17.033 13.118 1.00 12.90 C ATOM 310 C ARG A1112 8.624 17.141 13.258 1.00 13.52 C ATOM 311 O ARG A1112 7.937 17.302 12.236 1.00 16.28 O ATOM 312 CB ARG A1112 10.546 15.628 12.632 1.00 13.72 C ATOM 313 CG ARG A1112 11.951 15.587 12.044 1.00 14.31 C ATOM 314 CD ARG A1112 12.345 14.196 11.620 1.00 15.33 C ATOM 315 NE ARG A1112 13.666 14.215 10.996 1.00 16.42 N ATOM 316 CZ ARG A1112 14.201 13.175 10.355 1.00 17.99 C ATOM 317 NH1 ARG A1112 13.541 12.026 10.273 1.00 19.69 N ATOM 318 NH2 ARG A1112 15.412 13.290 9.822 1.00 18.17 N ATOM 319 HE ARG A1112 14.222 15.092 11.055 1.00 0.00 H ATOM 320 HH12 ARG A1112 13.963 11.218 9.772 1.00 0.00 H ATOM 321 HH11 ARG A1112 12.602 11.933 10.710 1.00 0.00 H ATOM 322 HH22 ARG A1112 15.838 12.485 9.320 1.00 0.00 H ATOM 323 HH21 ARG A1112 15.934 14.185 9.906 1.00 0.00 H ATOM 324 H ARG A1112 11.269 16.609 14.928 1.00 0.00 H ATOM 325 N GLN A1113 8.073 17.052 14.448 1.00 13.71 N ATOM 326 CA GLN A1113 6.615 17.138 14.701 1.00 14.78 C ATOM 327 C GLN A1113 6.407 18.016 15.897 1.00 14.49 C ATOM 328 O GLN A1113 7.328 18.207 16.682 1.00 13.57 O ATOM 329 CB GLN A1113 6.021 15.751 14.921 1.00 17.31 C ATOM 330 CG GLN A1113 6.012 14.885 13.671 1.00 21.01 C ATOM 331 CD GLN A1113 4.998 15.366 12.642 1.00 23.29 C ATOM 332 OE1 GLN A1113 3.870 15.728 12.988 1.00 26.99 O ATOM 333 NE2 GLN A1113 5.404 15.414 11.384 1.00 26.22 N ATOM 334 HE22 GLN A1113 6.363 15.099 11.135 1.00 0.00 H ATOM 335 HE21 GLN A1113 4.764 15.767 10.644 1.00 0.00 H ATOM 336 H GLN A1113 8.701 16.912 15.265 1.00 0.00 H ATOM 337 N PRO A1114 5.188 18.549 16.084 1.00 14.69 N ATOM 338 CA PRO A1114 4.943 19.368 17.255 1.00 15.06 C ATOM 339 C PRO A1114 5.173 18.594 18.550 1.00 15.32 C ATOM 340 O PRO A1114 4.883 17.395 18.624 1.00 16.56 O ATOM 341 CB PRO A1114 3.466 19.770 17.114 1.00 15.81 C ATOM 342 CG PRO A1114 3.183 19.616 15.675 1.00 16.51 C ATOM 343 CD PRO A1114 4.005 18.474 15.203 1.00 15.99 C ATOM 344 N VAL A1115 5.652 19.277 19.564 1.00 15.13 N ATOM 345 CA VAL A1115 5.745 18.697 20.901 1.00 16.23 C ATOM 346 C VAL A1115 4.321 18.305 21.351 1.00 18.11 C ATOM 347 O VAL A1115 3.378 19.083 21.187 1.00 19.03 O ATOM 348 CB VAL A1115 6.361 19.698 21.887 1.00 16.02 C ATOM 349 CG1 VAL A1115 6.293 19.193 23.308 1.00 16.69 C ATOM 350 CG2 VAL A1115 7.804 20.027 21.494 1.00 15.97 C ATOM 351 H VAL A1115 5.973 20.254 19.411 1.00 0.00 H ATOM 352 N ASP A1116 4.171 17.082 21.859 1.00 20.32 N ATOM 353 CA ASP A1116 2.880 16.602 22.380 1.00 23.91 C ATOM 354 C ASP A1116 3.016 16.474 23.900 1.00 24.12 C ATOM 355 O ASP A1116 3.562 15.473 24.374 1.00 23.97 O ATOM 356 CB ASP A1116 2.535 15.263 21.731 1.00 26.55 C ATOM 357 CG ASP A1116 1.165 14.731 22.164 1.00 29.37 C ATOM 358 OD1 ASP A1116 0.507 15.365 23.027 1.00 30.96 O ATOM 359 OD2 ASP A1116 0.743 13.694 21.612 1.00 33.35 O ATOM 360 H ASP A1116 4.993 16.446 21.888 1.00 0.00 H ATOM 361 N PRO A1117 2.606 17.522 24.657 1.00 25.07 N ATOM 362 CA PRO A1117 2.824 17.481 26.098 1.00 26.29 C ATOM 363 C PRO A1117 2.120 16.356 26.864 1.00 29.10 C ATOM 364 O PRO A1117 2.670 15.886 27.855 1.00 29.70 O ATOM 365 CB PRO A1117 2.319 18.854 26.561 1.00 25.87 C ATOM 366 CG PRO A1117 2.505 19.743 25.376 1.00 25.17 C ATOM 367 CD PRO A1117 2.098 18.844 24.249 1.00 24.69 C ATOM 368 N GLN A1118 0.958 15.919 26.394 1.00 32.50 N ATOM 369 CA GLN A1118 0.241 14.837 27.081 1.00 35.16 C ATOM 370 C GLN A1118 0.861 13.459 26.824 1.00 35.46 C ATOM 371 O GLN A1118 0.960 12.660 27.756 1.00 37.00 O ATOM 372 CB GLN A1118 -1.262 14.864 26.800 1.00 38.24 C ATOM 373 CG GLN A1118 -1.691 14.764 25.348 1.00 40.18 C ATOM 374 CD GLN A1118 -3.205 14.723 25.216 1.00 42.96 C ATOM 375 OE1 GLN A1118 -3.879 13.926 25.877 1.00 46.14 O ATOM 376 NE2 GLN A1118 -3.749 15.581 24.369 1.00 43.75 N ATOM 377 HE22 GLN A1118 -3.145 16.235 23.832 1.00 0.00 H ATOM 378 HE21 GLN A1118 -4.781 15.601 24.240 1.00 0.00 H ATOM 379 H GLN A1118 0.554 16.345 25.536 1.00 0.00 H ATOM 380 N LEU A1119 1.293 13.186 25.591 1.00 35.40 N ATOM 381 CA LEU A1119 2.045 11.958 25.270 1.00 35.43 C ATOM 382 C LEU A1119 3.294 11.846 26.133 1.00 34.91 C ATOM 383 O LEU A1119 3.551 10.819 26.751 1.00 35.50 O ATOM 384 CB LEU A1119 2.442 11.918 23.788 1.00 36.72 C ATOM 385 CG LEU A1119 3.181 10.673 23.273 1.00 37.83 C ATOM 386 CD1 LEU A1119 2.258 9.460 23.288 1.00 38.64 C ATOM 387 CD2 LEU A1119 3.742 10.898 21.879 1.00 38.01 C ATOM 388 H LEU A1119 1.092 13.864 24.828 1.00 0.00 H ATOM 389 N LEU A1120 4.065 12.927 26.169 1.00 33.63 N ATOM 390 CA LEU A1120 5.228 13.025 27.033 1.00 32.86 C ATOM 391 C LEU A1120 4.711 13.324 28.450 1.00 32.98 C ATOM 392 O LEU A1120 3.517 13.528 28.646 1.00 34.11 O ATOM 393 CB LEU A1120 6.172 14.114 26.503 1.00 32.21 C ATOM 394 CG LEU A1120 6.671 13.877 25.074 1.00 31.93 C ATOM 395 CD1 LEU A1120 7.210 15.151 24.447 1.00 31.16 C ATOM 396 CD2 LEU A1120 7.732 12.792 25.044 1.00 32.48 C ATOM 397 H LEU A1120 3.827 13.733 25.556 1.00 0.00 H ATOM 398 N GLY A1121 5.574 13.346 29.449 1.00 33.77 N ATOM 399 CA GLY A1121 5.086 13.539 30.823 1.00 34.29 C ATOM 400 C GLY A1121 4.881 14.986 31.271 1.00 33.94 C ATOM 401 O GLY A1121 4.894 15.232 32.474 1.00 35.98 O ATOM 402 H GLY A1121 6.591 13.228 29.266 1.00 0.00 H ATOM 403 N ILE A1122 4.645 15.935 30.345 1.00 31.98 N ATOM 404 CA ILE A1122 5.039 17.358 30.573 1.00 29.21 C ATOM 405 C ILE A1122 3.969 18.452 30.403 1.00 28.47 C ATOM 406 O ILE A1122 4.121 19.321 29.534 1.00 26.41 O ATOM 407 CB ILE A1122 6.282 17.694 29.693 1.00 27.95 C ATOM 408 CG1 ILE A1122 6.034 17.396 28.200 1.00 26.58 C ATOM 409 CG2 ILE A1122 7.484 16.904 30.168 1.00 28.12 C ATOM 410 CD1 ILE A1122 7.099 17.936 27.255 1.00 25.74 C ATOM 411 H ILE A1122 4.179 15.672 29.453 1.00 0.00 H ATOM 412 N PRO A1123 2.922 18.478 31.282 1.00 27.57 N ATOM 413 CA PRO A1123 1.825 19.449 31.137 1.00 27.65 C ATOM 414 C PRO A1123 2.227 20.895 31.357 1.00 25.12 C ATOM 415 O PRO A1123 1.466 21.787 30.954 1.00 28.26 O ATOM 416 CB PRO A1123 0.819 19.017 32.209 1.00 28.60 C ATOM 417 CG PRO A1123 1.657 18.332 33.210 1.00 28.36 C ATOM 418 CD PRO A1123 2.693 17.595 32.435 1.00 28.57 C ATOM 419 N ASP A1124 3.432 21.128 31.908 1.00 23.54 N ATOM 420 CA ASP A1124 3.948 22.493 32.009 1.00 20.97 C ATOM 421 C ASP A1124 4.507 23.040 30.701 1.00 18.77 C ATOM 422 O ASP A1124 4.826 24.223 30.633 1.00 17.77 O ATOM 423 CB ASP A1124 4.972 22.697 33.145 1.00 20.95 C ATOM 424 CG ASP A1124 6.318 22.054 32.911 1.00 21.17 C ATOM 425 OD1 ASP A1124 6.476 21.167 32.046 1.00 21.78 O ATOM 426 OD2 ASP A1124 7.255 22.449 33.627 1.00 22.34 O ATOM 427 H ASP A1124 4.000 20.333 32.264 1.00 0.00 H ATOM 428 N TYR A1125 4.613 22.216 29.651 1.00 18.07 N ATOM 429 CA TYR A1125 5.255 22.688 28.406 1.00 16.40 C ATOM 430 C TYR A1125 4.601 23.940 27.849 1.00 16.98 C ATOM 431 O TYR A1125 5.266 24.925 27.567 1.00 16.16 O ATOM 432 CB TYR A1125 5.312 21.555 27.364 1.00 16.41 C ATOM 433 CG TYR A1125 6.059 21.987 26.111 1.00 15.25 C ATOM 434 CD1 TYR A1125 7.448 21.960 26.081 1.00 14.66 C ATOM 435 CD2 TYR A1125 5.382 22.477 25.027 1.00 15.71 C ATOM 436 CE1 TYR A1125 8.145 22.428 24.954 1.00 13.80 C ATOM 437 CE2 TYR A1125 6.056 22.933 23.893 1.00 14.82 C ATOM 438 CZ TYR A1125 7.448 22.895 23.877 1.00 13.82 C ATOM 439 OH TYR A1125 8.107 23.371 22.769 1.00 13.22 O ATOM 440 HH TYR A1125 9.084 23.279 22.903 1.00 0.00 H ATOM 441 H TYR A1125 4.244 21.245 29.711 1.00 0.00 H ATOM 442 N PHE A1126 3.266 23.921 27.697 1.00 18.07 N ATOM 443 CA PHE A1126 2.587 25.072 27.136 1.00 19.27 C ATOM 444 C PHE A1126 2.406 26.215 28.140 1.00 19.47 C ATOM 445 O PHE A1126 2.152 27.337 27.716 1.00 20.72 O ATOM 446 CB PHE A1126 1.218 24.748 26.546 1.00 20.32 C ATOM 447 CG PHE A1126 1.240 23.916 25.280 1.00 21.15 C ATOM 448 CD1 PHE A1126 2.211 24.043 24.291 1.00 20.19 C ATOM 449 CD2 PHE A1126 0.184 23.055 25.042 1.00 21.94 C ATOM 450 CE1 PHE A1126 2.173 23.260 23.131 1.00 20.92 C ATOM 451 CE2 PHE A1126 0.126 22.281 23.895 1.00 22.20 C ATOM 452 CZ PHE A1126 1.121 22.380 22.934 1.00 21.74 C ATOM 453 H PHE A1126 2.721 23.082 27.981 1.00 0.00 H ATOM 454 N ASP A1127 2.649 25.954 29.414 1.00 19.78 N ATOM 455 CA ASP A1127 2.725 27.051 30.384 1.00 21.22 C ATOM 456 C ASP A1127 3.925 27.924 30.053 1.00 20.22 C ATOM 457 O ASP A1127 3.851 29.144 30.124 1.00 21.93 O ATOM 458 CB ASP A1127 2.920 26.574 31.818 1.00 22.62 C ATOM 459 CG ASP A1127 1.752 25.771 32.379 1.00 24.61 C ATOM 460 OD1 ASP A1127 0.641 25.758 31.793 1.00 27.02 O ATOM 461 OD2 ASP A1127 1.997 25.158 33.440 1.00 27.35 O ATOM 462 H ASP A1127 2.786 24.972 29.727 1.00 0.00 H ATOM 463 N ILE A1128 5.034 27.279 29.657 1.00 18.77 N ATOM 464 CA ILE A1128 6.312 27.948 29.451 1.00 18.33 C ATOM 465 C ILE A1128 6.484 28.376 27.993 1.00 17.69 C ATOM 466 O ILE A1128 6.978 29.464 27.729 1.00 17.98 O ATOM 467 CB ILE A1128 7.449 27.017 29.925 1.00 18.04 C ATOM 468 CG1 ILE A1128 7.414 26.898 31.456 1.00 19.06 C ATOM 469 CG2 ILE A1128 8.827 27.491 29.431 1.00 17.68 C ATOM 470 CD1 ILE A1128 8.270 25.795 32.007 1.00 19.10 C ATOM 471 H ILE A1128 4.978 26.254 29.489 1.00 0.00 H ATOM 472 N VAL A1129 6.060 27.526 27.065 1.00 16.90 N ATOM 473 CA VAL A1129 6.176 27.758 25.628 1.00 16.20 C ATOM 474 C VAL A1129 4.816 28.237 25.084 1.00 16.72 C ATOM 475 O VAL A1129 3.938 27.424 24.827 1.00 17.59 O ATOM 476 CB VAL A1129 6.689 26.483 24.922 1.00 15.43 C ATOM 477 CG1 VAL A1129 6.687 26.658 23.398 1.00 15.42 C ATOM 478 CG2 VAL A1129 8.090 26.154 25.427 1.00 15.76 C ATOM 479 H VAL A1129 5.618 26.640 27.382 1.00 0.00 H ATOM 480 N LYS A1130 4.679 29.551 24.926 1.00 17.26 N ATOM 481 CA LYS A1130 3.419 30.185 24.526 1.00 18.93 C ATOM 482 C LYS A1130 3.107 30.004 23.062 1.00 18.08 C ATOM 483 O LYS A1130 1.926 30.015 22.652 1.00 19.10 O ATOM 484 CB LYS A1130 3.461 31.716 24.801 1.00 20.62 C ATOM 485 CG LYS A1130 3.716 32.124 26.251 1.00 22.78 C ATOM 486 CD LYS A1130 2.782 31.455 27.222 1.00 24.40 C ATOM 487 CE LYS A1130 2.935 32.014 28.626 1.00 25.45 C ATOM 488 NZ LYS A1130 2.024 31.336 29.577 1.00 26.53 N ATOM 489 HZ1 LYS A1130 1.040 31.474 29.271 1.00 0.00 H ATOM 490 HZ2 LYS A1130 2.242 30.319 29.599 1.00 0.00 H ATOM 491 HZ3 LYS A1130 2.153 31.740 30.527 1.00 0.00 H ATOM 492 H LYS A1130 5.506 30.158 25.095 1.00 0.00 H ATOM 493 N ASN A1131 4.150 29.884 22.236 1.00 16.44 N ATOM 494 CA ASN A1131 4.000 29.844 20.789 1.00 16.29 C ATOM 495 C ASN A1131 4.827 28.675 20.272 1.00 14.98 C ATOM 496 O ASN A1131 5.972 28.866 19.840 1.00 14.08 O ATOM 497 CB ASN A1131 4.449 31.144 20.167 1.00 17.64 C ATOM 498 CG ASN A1131 3.514 32.280 20.506 1.00 20.18 C ATOM 499 OD1 ASN A1131 2.318 32.256 20.178 1.00 22.16 O ATOM 500 ND2 ASN A1131 4.047 33.263 21.184 1.00 21.46 N ATOM 501 HD22 ASN A1131 5.056 33.235 21.434 1.00 0.00 H ATOM 502 HD21 ASN A1131 3.462 34.073 21.473 1.00 0.00 H ATOM 503 H ASN A1131 5.105 29.817 22.642 1.00 0.00 H ATOM 504 N PRO A1132 4.261 27.466 20.293 1.00 14.69 N ATOM 505 CA PRO A1132 5.025 26.307 19.819 1.00 14.59 C ATOM 506 C PRO A1132 5.352 26.421 18.350 1.00 13.82 C ATOM 507 O PRO A1132 4.604 27.031 17.578 1.00 14.60 O ATOM 508 CB PRO A1132 4.094 25.135 20.099 1.00 15.79 C ATOM 509 CG PRO A1132 2.752 25.724 20.275 1.00 17.72 C ATOM 510 CD PRO A1132 2.921 27.088 20.801 1.00 16.58 C ATOM 511 N MET A1133 6.463 25.805 17.934 1.00 12.68 N ATOM 512 CA MET A1133 6.836 25.757 16.547 1.00 12.66 C ATOM 513 C MET A1133 7.714 24.556 16.319 1.00 11.87 C ATOM 514 O MET A1133 8.482 24.164 17.216 1.00 12.42 O ATOM 515 CB MET A1133 7.550 27.063 16.176 1.00 13.07 C ATOM 516 CG MET A1133 7.820 27.251 14.698 1.00 13.38 C ATOM 517 SD MET A1133 6.385 27.100 13.617 1.00 14.06 S ATOM 518 CE MET A1133 5.270 28.344 14.272 1.00 14.78 C ATOM 519 H MET A1133 7.077 25.346 18.637 1.00 0.00 H ATOM 520 N ASP A1134 7.657 23.981 15.145 1.00 11.89 N ATOM 521 CA ASP A1134 8.451 22.805 14.796 1.00 11.87 C ATOM 522 C ASP A1134 8.634 22.752 13.289 1.00 11.59 C ATOM 523 O ASP A1134 7.993 23.521 12.537 1.00 12.24 O ATOM 524 CB ASP A1134 7.785 21.523 15.283 1.00 12.51 C ATOM 525 CG ASP A1134 6.582 21.157 14.452 1.00 13.87 C ATOM 526 OD1 ASP A1134 5.584 21.895 14.490 1.00 14.12 O ATOM 527 OD2 ASP A1134 6.672 20.172 13.700 1.00 15.69 O ATOM 528 H ASP A1134 7.018 24.379 14.428 1.00 0.00 H ATOM 529 N LEU A1135 9.466 21.841 12.821 1.00 11.55 N ATOM 530 CA LEU A1135 9.775 21.755 11.384 1.00 11.87 C ATOM 531 C LEU A1135 8.559 21.466 10.523 1.00 12.74 C ATOM 532 O LEU A1135 8.450 22.036 9.423 1.00 13.09 O ATOM 533 CB LEU A1135 10.830 20.700 11.107 1.00 12.04 C ATOM 534 CG LEU A1135 12.227 20.935 11.706 1.00 12.20 C ATOM 535 CD1 LEU A1135 13.060 19.667 11.572 1.00 12.85 C ATOM 536 CD2 LEU A1135 12.895 22.156 11.084 1.00 12.97 C ATOM 537 H LEU A1135 9.912 21.171 13.480 1.00 0.00 H ATOM 538 N SER A1136 7.656 20.603 10.989 1.00 13.01 N ATOM 539 CA SER A1136 6.480 20.262 10.170 1.00 14.03 C ATOM 540 C SER A1136 5.594 21.479 9.989 1.00 13.81 C ATOM 541 O SER A1136 4.964 21.637 8.920 1.00 14.24 O ATOM 542 CB SER A1136 5.668 19.103 10.770 1.00 15.80 C ATOM 543 OG SER A1136 4.923 19.487 11.886 1.00 16.79 O ATOM 544 HG SER A1136 5.533 19.825 12.588 1.00 0.00 H ATOM 545 H SER A1136 7.781 20.172 11.927 1.00 0.00 H ATOM 546 N THR A1137 5.445 22.299 10.994 1.00 13.47 N ATOM 547 CA THR A1137 4.621 23.505 10.911 1.00 13.67 C ATOM 548 C THR A1137 5.247 24.522 9.975 1.00 12.50 C ATOM 549 O THR A1137 4.540 25.130 9.129 1.00 12.88 O ATOM 550 CB THR A1137 4.378 24.091 12.299 1.00 14.76 C ATOM 551 OG1 THR A1137 3.670 23.137 13.083 1.00 15.94 O ATOM 552 CG2 THR A1137 3.571 25.373 12.264 1.00 15.56 C ATOM 553 HG1 THR A1137 4.207 22.309 13.158 1.00 0.00 H ATOM 554 H THR A1137 5.931 22.087 11.889 1.00 0.00 H ATOM 555 N ILE A1138 6.569 24.710 10.075 1.00 12.05 N ATOM 556 CA ILE A1138 7.250 25.633 9.179 1.00 11.70 C ATOM 557 C ILE A1138 7.126 25.148 7.737 1.00 12.01 C ATOM 558 O ILE A1138 6.844 25.947 6.827 1.00 12.47 O ATOM 559 CB ILE A1138 8.721 25.759 9.612 1.00 11.68 C ATOM 560 CG1 ILE A1138 8.821 26.398 11.015 1.00 11.52 C ATOM 561 CG2 ILE A1138 9.488 26.604 8.609 1.00 11.95 C ATOM 562 CD1 ILE A1138 10.191 26.281 11.641 1.00 11.84 C ATOM 563 H ILE A1138 7.112 24.194 10.796 1.00 0.00 H ATOM 564 N LYS A1139 7.302 23.856 7.526 1.00 12.04 N ATOM 565 CA LYS A1139 7.138 23.292 6.185 1.00 13.32 C ATOM 566 C LYS A1139 5.742 23.556 5.655 1.00 13.26 C ATOM 567 O LYS A1139 5.574 23.948 4.490 1.00 13.42 O ATOM 568 CB LYS A1139 7.441 21.810 6.195 1.00 14.53 C ATOM 569 CG LYS A1139 7.350 21.187 4.807 1.00 16.77 C ATOM 570 CD LYS A1139 7.619 19.706 4.838 1.00 19.01 C ATOM 571 CE LYS A1139 7.664 19.120 3.436 1.00 21.40 C ATOM 572 NZ LYS A1139 6.380 19.238 2.693 1.00 21.97 N ATOM 573 HZ1 LYS A1139 5.632 18.736 3.214 1.00 0.00 H ATOM 574 HZ2 LYS A1139 6.126 20.242 2.600 1.00 0.00 H ATOM 575 HZ3 LYS A1139 6.488 18.818 1.748 1.00 0.00 H ATOM 576 H LYS A1139 7.559 23.234 8.319 1.00 0.00 H ATOM 577 N ARG A1140 4.737 23.310 6.473 1.00 13.01 N ATOM 578 CA ARG A1140 3.363 23.538 6.041 1.00 13.75 C ATOM 579 C ARG A1140 3.156 24.994 5.694 1.00 13.60 C ATOM 580 O ARG A1140 2.458 25.303 4.689 1.00 13.48 O ATOM 581 CB ARG A1140 2.386 23.143 7.113 1.00 14.94 C ATOM 582 CG ARG A1140 0.971 23.327 6.636 1.00 16.99 C ATOM 583 CD ARG A1140 -0.044 22.759 7.577 1.00 19.21 C ATOM 584 NE ARG A1140 -1.364 23.042 7.025 1.00 22.10 N ATOM 585 CZ ARG A1140 -1.964 22.347 6.065 1.00 23.67 C ATOM 586 NH1 ARG A1140 -1.435 21.230 5.557 1.00 25.96 N ATOM 587 NH2 ARG A1140 -3.170 22.735 5.640 1.00 24.78 N ATOM 588 HE ARG A1140 -1.879 23.857 7.416 1.00 0.00 H ATOM 589 HH12 ARG A1140 -1.935 20.713 4.806 1.00 0.00 H ATOM 590 HH11 ARG A1140 -0.523 20.878 5.913 1.00 0.00 H ATOM 591 HH22 ARG A1140 -3.653 22.202 4.889 1.00 0.00 H ATOM 592 HH21 ARG A1140 -3.625 23.570 6.060 1.00 0.00 H ATOM 593 H ARG A1140 4.925 22.952 7.431 1.00 0.00 H ATOM 594 N LYS A1141 3.701 25.919 6.480 1.00 12.87 N ATOM 595 CA LYS A1141 3.541 27.319 6.181 1.00 13.14 C ATOM 596 C LYS A1141 4.183 27.682 4.861 1.00 13.16 C ATOM 597 O LYS A1141 3.554 28.453 4.095 1.00 13.40 O ATOM 598 CB LYS A1141 4.063 28.185 7.337 1.00 12.89 C ATOM 599 CG LYS A1141 3.174 28.046 8.558 1.00 13.53 C ATOM 600 CD LYS A1141 3.644 28.829 9.770 1.00 13.93 C ATOM 601 CE LYS A1141 3.467 30.310 9.625 1.00 14.75 C ATOM 602 NZ LYS A1141 3.814 31.042 10.879 1.00 15.53 N ATOM 603 HZ1 LYS A1141 3.199 30.716 11.651 1.00 0.00 H ATOM 604 HZ2 LYS A1141 4.808 30.856 11.124 1.00 0.00 H ATOM 605 HZ3 LYS A1141 3.677 32.062 10.733 1.00 0.00 H ATOM 606 H LYS A1141 4.247 25.629 7.317 1.00 0.00 H ATOM 607 N LEU A1142 5.349 27.144 4.517 1.00 13.25 N ATOM 608 CA LEU A1142 5.926 27.379 3.193 1.00 14.22 C ATOM 609 C LEU A1142 5.058 26.745 2.114 1.00 14.18 C ATOM 610 O LEU A1142 4.789 27.361 1.078 1.00 15.05 O ATOM 611 CB LEU A1142 7.333 26.797 3.063 1.00 15.24 C ATOM 612 CG LEU A1142 8.466 27.566 3.731 1.00 15.75 C ATOM 613 CD1 LEU A1142 9.714 26.693 3.778 1.00 16.09 C ATOM 614 CD2 LEU A1142 8.754 28.852 2.975 1.00 16.38 C ATOM 615 H LEU A1142 5.859 26.547 5.199 1.00 0.00 H ATOM 616 N ASP A1143 4.577 25.537 2.355 1.00 13.75 N ATOM 617 CA ASP A1143 3.809 24.810 1.366 1.00 14.36 C ATOM 618 C ASP A1143 2.478 25.466 1.055 1.00 14.52 C ATOM 619 O ASP A1143 1.976 25.344 -0.076 1.00 16.63 O ATOM 620 CB ASP A1143 3.516 23.392 1.846 1.00 15.04 C ATOM 621 CG ASP A1143 4.721 22.453 1.844 1.00 15.94 C ATOM 622 OD1 ASP A1143 5.726 22.717 1.190 1.00 17.89 O ATOM 623 OD2 ASP A1143 4.608 21.381 2.462 1.00 17.71 O ATOM 624 H ASP A1143 4.755 25.097 3.280 1.00 0.00 H ATOM 625 N THR A1144 1.866 26.112 2.028 1.00 14.40 N ATOM 626 CA THR A1144 0.514 26.680 1.914 1.00 14.77 C ATOM 627 C THR A1144 0.516 28.191 1.708 1.00 14.59 C ATOM 628 O THR A1144 -0.538 28.802 1.629 1.00 15.43 O ATOM 629 CB THR A1144 -0.363 26.288 3.115 1.00 15.21 C ATOM 630 OG1 THR A1144 0.216 26.829 4.310 1.00 15.33 O ATOM 631 CG2 THR A1144 -0.531 24.802 3.230 1.00 15.73 C ATOM 632 HG1 THR A1144 1.128 26.463 4.428 1.00 0.00 H ATOM 633 H THR A1144 2.370 26.227 2.931 1.00 0.00 H ATOM 634 N GLY A1145 1.700 28.795 1.565 1.00 13.80 N ATOM 635 CA GLY A1145 1.815 30.200 1.253 1.00 14.44 C ATOM 636 C GLY A1145 1.501 31.129 2.399 1.00 14.36 C ATOM 637 O GLY A1145 1.035 32.262 2.190 1.00 15.13 O ATOM 638 H GLY A1145 2.568 28.234 1.682 1.00 0.00 H ATOM 639 N GLN A1146 1.798 30.699 3.627 1.00 14.22 N ATOM 640 CA GLN A1146 1.524 31.545 4.774 1.00 15.21 C ATOM 641 C GLN A1146 2.583 32.583 5.087 1.00 15.84 C ATOM 642 O GLN A1146 2.360 33.389 6.014 1.00 19.12 O ATOM 643 CB GLN A1146 1.247 30.681 6.003 1.00 15.99 C ATOM 644 CG GLN A1146 -0.051 29.923 5.871 1.00 17.67 C ATOM 645 CD GLN A1146 -0.355 29.088 7.077 1.00 18.74 C ATOM 646 OE1 GLN A1146 -0.347 29.588 8.211 1.00 21.08 O ATOM 647 NE2 GLN A1146 -0.609 27.811 6.857 1.00 19.62 N ATOM 648 HE22 GLN A1146 -0.604 27.440 5.886 1.00 0.00 H ATOM 649 HE21 GLN A1146 -0.814 27.177 7.655 1.00 0.00 H ATOM 650 H GLN A1146 2.225 29.760 3.762 1.00 0.00 H ATOM 651 N TYR A1147 3.755 32.528 4.462 1.00 14.69 N ATOM 652 CA TYR A1147 4.764 33.554 4.674 1.00 14.75 C ATOM 653 C TYR A1147 4.656 34.616 3.580 1.00 15.94 C ATOM 654 O TYR A1147 4.652 34.303 2.389 1.00 17.21 O ATOM 655 CB TYR A1147 6.157 32.951 4.675 1.00 14.22 C ATOM 656 CG TYR A1147 6.416 31.987 5.823 1.00 13.44 C ATOM 657 CD1 TYR A1147 6.349 32.429 7.137 1.00 13.38 C ATOM 658 CD2 TYR A1147 6.767 30.675 5.608 1.00 13.21 C ATOM 659 CE1 TYR A1147 6.618 31.570 8.198 1.00 13.30 C ATOM 660 CE2 TYR A1147 7.020 29.807 6.642 1.00 13.23 C ATOM 661 CZ TYR A1147 6.944 30.261 7.947 1.00 13.21 C ATOM 662 OH TYR A1147 7.192 29.365 8.976 1.00 14.02 O ATOM 663 HH TYR A1147 7.102 29.830 9.846 1.00 0.00 H ATOM 664 H TYR A1147 3.953 31.740 3.812 1.00 0.00 H ATOM 665 N GLN A1148 4.596 35.881 3.993 1.00 17.10 N ATOM 666 CA GLN A1148 4.579 37.010 3.067 1.00 18.86 C ATOM 667 C GLN A1148 5.994 37.445 2.733 1.00 17.94 C ATOM 668 O GLN A1148 6.228 38.010 1.665 1.00 19.55 O ATOM 669 CB GLN A1148 3.813 38.180 3.691 1.00 22.02 C ATOM 670 CG GLN A1148 2.316 37.927 3.910 1.00 25.72 C ATOM 671 CD GLN A1148 1.949 37.197 5.214 1.00 29.24 C ATOM 672 OE1 GLN A1148 2.797 36.599 5.892 1.00 34.27 O ATOM 673 NE2 GLN A1148 0.665 37.245 5.566 1.00 32.89 N ATOM 674 HE22 GLN A1148 -0.018 37.757 4.972 1.00 0.00 H ATOM 675 HE21 GLN A1148 0.346 36.771 6.435 1.00 0.00 H ATOM 676 H GLN A1148 4.560 36.072 5.015 1.00 0.00 H ATOM 677 N GLU A1149 6.934 37.269 3.647 1.00 17.82 N ATOM 678 CA GLU A1149 8.296 37.741 3.416 1.00 18.36 C ATOM 679 C GLU A1149 9.273 36.868 4.195 1.00 16.55 C ATOM 680 O GLU A1149 8.882 36.183 5.170 1.00 15.77 O ATOM 681 CB GLU A1149 8.401 39.244 3.684 1.00 21.36 C ATOM 682 CG GLU A1149 8.009 39.644 5.081 1.00 23.18 C ATOM 683 CD GLU A1149 9.194 39.748 6.004 1.00 25.44 C ATOM 684 OE1 GLU A1149 10.340 39.482 5.551 1.00 26.72 O ATOM 685 OE2 GLU A1149 8.985 40.108 7.191 1.00 28.69 O ATOM 686 H GLU A1149 6.700 36.789 4.540 1.00 0.00 H ATOM 687 N PRO A1150 10.530 36.802 3.762 1.00 15.88 N ATOM 688 CA PRO A1150 11.426 35.749 4.285 1.00 15.93 C ATOM 689 C PRO A1150 11.781 35.855 5.751 1.00 15.16 C ATOM 690 O PRO A1150 12.010 34.831 6.379 1.00 14.12 O ATOM 691 CB PRO A1150 12.665 35.858 3.403 1.00 17.30 C ATOM 692 CG PRO A1150 12.524 37.104 2.624 1.00 17.88 C ATOM 693 CD PRO A1150 11.106 37.542 2.626 1.00 16.67 C ATOM 694 N TRP A1151 11.804 37.063 6.318 1.00 15.01 N ATOM 695 CA TRP A1151 12.072 37.187 7.759 1.00 15.43 C ATOM 696 C TRP A1151 11.018 36.494 8.619 1.00 14.25 C ATOM 697 O TRP A1151 11.338 36.078 9.730 1.00 14.22 O ATOM 698 CB TRP A1151 12.244 38.659 8.211 1.00 17.70 C ATOM 699 CG TRP A1151 13.447 39.314 7.627 1.00 22.69 C ATOM 700 CD1 TRP A1151 13.481 40.181 6.559 1.00 25.36 C ATOM 701 CD2 TRP A1151 14.782 39.101 8.013 1.00 25.79 C ATOM 702 NE1 TRP A1151 14.777 40.542 6.286 1.00 27.28 N ATOM 703 CE2 TRP A1151 15.600 39.910 7.182 1.00 26.03 C ATOM 704 CE3 TRP A1151 15.382 38.355 9.026 1.00 25.81 C ATOM 705 CZ2 TRP A1151 17.002 39.947 7.304 1.00 28.53 C ATOM 706 CZ3 TRP A1151 16.804 38.397 9.153 1.00 27.95 C ATOM 707 CH2 TRP A1151 17.581 39.191 8.303 1.00 28.78 C ATOM 708 HE1 TRP A1151 15.083 41.186 5.528 1.00 0.00 H ATOM 709 H TRP A1151 11.633 37.913 5.744 1.00 0.00 H ATOM 710 N GLN A1152 9.791 36.348 8.125 1.00 13.55 N ATOM 711 CA GLN A1152 8.786 35.607 8.895 1.00 13.39 C ATOM 712 C GLN A1152 9.191 34.139 9.048 1.00 12.48 C ATOM 713 O GLN A1152 8.929 33.532 10.095 1.00 13.16 O ATOM 714 CB GLN A1152 7.432 35.724 8.239 1.00 14.07 C ATOM 715 CG GLN A1152 6.867 37.151 8.272 1.00 15.58 C ATOM 716 CD GLN A1152 5.597 37.268 7.499 1.00 17.37 C ATOM 717 OE1 GLN A1152 5.481 36.721 6.426 1.00 18.70 O ATOM 718 NE2 GLN A1152 4.635 38.013 8.026 1.00 19.68 N ATOM 719 HE22 GLN A1152 4.776 38.466 8.952 1.00 0.00 H ATOM 720 HE21 GLN A1152 3.740 38.145 7.514 1.00 0.00 H ATOM 721 H GLN A1152 9.546 36.756 7.200 1.00 0.00 H ATOM 722 N TYR A1153 9.768 33.573 8.017 1.00 12.75 N ATOM 723 CA TYR A1153 10.276 32.198 8.043 1.00 12.39 C ATOM 724 C TYR A1153 11.455 32.092 9.000 1.00 12.18 C ATOM 725 O TYR A1153 11.477 31.209 9.873 1.00 12.07 O ATOM 726 CB TYR A1153 10.648 31.766 6.628 1.00 12.40 C ATOM 727 CG TYR A1153 11.515 30.541 6.566 1.00 12.02 C ATOM 728 CD1 TYR A1153 10.965 29.271 6.657 1.00 12.30 C ATOM 729 CD2 TYR A1153 12.908 30.652 6.426 1.00 12.06 C ATOM 730 CE1 TYR A1153 11.764 28.139 6.600 1.00 12.63 C ATOM 731 CE2 TYR A1153 13.723 29.513 6.362 1.00 12.26 C ATOM 732 CZ TYR A1153 13.141 28.259 6.439 1.00 12.03 C ATOM 733 OH TYR A1153 13.889 27.105 6.418 1.00 12.88 O ATOM 734 HH TYR A1153 14.401 27.060 5.572 1.00 0.00 H ATOM 735 H TYR A1153 9.870 34.124 7.141 1.00 0.00 H ATOM 736 N VAL A1154 12.404 33.018 8.885 1.00 12.35 N ATOM 737 CA VAL A1154 13.551 33.013 9.790 1.00 12.96 C ATOM 738 C VAL A1154 13.085 33.110 11.240 1.00 12.51 C ATOM 739 O VAL A1154 13.590 32.409 12.111 1.00 12.79 O ATOM 740 CB VAL A1154 14.532 34.161 9.444 1.00 14.04 C ATOM 741 CG1 VAL A1154 15.673 34.264 10.455 1.00 14.66 C ATOM 742 CG2 VAL A1154 15.077 33.981 8.035 1.00 14.87 C ATOM 743 H VAL A1154 12.329 33.748 8.148 1.00 0.00 H ATOM 744 N ASP A1155 12.126 33.990 11.488 1.00 12.69 N ATOM 745 CA ASP A1155 11.615 34.143 12.847 1.00 13.01 C ATOM 746 C ASP A1155 10.963 32.880 13.369 1.00 12.28 C ATOM 747 O ASP A1155 11.083 32.595 14.562 1.00 12.36 O ATOM 748 CB ASP A1155 10.635 35.308 12.920 1.00 15.29 C ATOM 749 CG ASP A1155 11.304 36.682 12.820 1.00 18.10 C ATOM 750 OD1 ASP A1155 12.513 36.804 12.894 1.00 20.16 O ATOM 751 OD2 ASP A1155 10.512 37.627 12.659 1.00 24.20 O ATOM 752 H ASP A1155 11.738 34.570 10.717 1.00 0.00 H ATOM 753 N ASP A1156 10.260 32.119 12.526 1.00 11.90 N ATOM 754 CA ASP A1156 9.699 30.862 13.014 1.00 11.59 C ATOM 755 C ASP A1156 10.779 29.818 13.311 1.00 11.04 C ATOM 756 O ASP A1156 10.651 29.089 14.302 1.00 11.39 O ATOM 757 CB ASP A1156 8.701 30.281 12.011 1.00 11.80 C ATOM 758 CG ASP A1156 7.294 30.807 12.176 1.00 12.97 C ATOM 759 OD1 ASP A1156 6.984 31.435 13.180 1.00 14.58 O ATOM 760 OD2 ASP A1156 6.472 30.503 11.282 1.00 13.35 O ATOM 761 H ASP A1156 10.115 32.416 11.540 1.00 0.00 H ATOM 762 N VAL A1157 11.831 29.756 12.491 1.00 11.00 N ATOM 763 CA VAL A1157 12.920 28.840 12.797 1.00 10.99 C ATOM 764 C VAL A1157 13.546 29.200 14.153 1.00 10.94 C ATOM 765 O VAL A1157 13.791 28.326 15.013 1.00 11.17 O ATOM 766 CB VAL A1157 13.954 28.809 11.656 1.00 11.34 C ATOM 767 CG1 VAL A1157 15.130 27.923 12.058 1.00 11.34 C ATOM 768 CG2 VAL A1157 13.323 28.297 10.359 1.00 11.68 C ATOM 769 H VAL A1157 11.872 30.356 11.642 1.00 0.00 H ATOM 770 N TRP A1158 13.803 30.479 14.357 1.00 11.05 N ATOM 771 CA TRP A1158 14.382 30.923 15.620 1.00 11.72 C ATOM 772 C TRP A1158 13.408 30.745 16.800 1.00 11.87 C ATOM 773 O TRP A1158 13.882 30.502 17.930 1.00 12.02 O ATOM 774 CB TRP A1158 14.874 32.343 15.502 1.00 12.37 C ATOM 775 CG TRP A1158 16.263 32.322 14.958 1.00 14.11 C ATOM 776 CD1 TRP A1158 16.669 32.314 13.672 1.00 15.73 C ATOM 777 CD2 TRP A1158 17.457 32.203 15.755 1.00 15.14 C ATOM 778 NE1 TRP A1158 18.043 32.247 13.616 1.00 16.55 N ATOM 779 CE2 TRP A1158 18.552 32.159 14.882 1.00 16.55 C ATOM 780 CE3 TRP A1158 17.685 32.178 17.124 1.00 15.80 C ATOM 781 CZ2 TRP A1158 19.899 32.097 15.357 1.00 16.68 C ATOM 782 CZ3 TRP A1158 19.035 32.083 17.608 1.00 17.34 C ATOM 783 CH2 TRP A1158 20.096 32.047 16.719 1.00 17.87 C ATOM 784 HE1 TRP A1158 18.608 32.261 12.743 1.00 0.00 H ATOM 785 H TRP A1158 13.591 31.174 13.613 1.00 0.00 H ATOM 786 N LEU A1159 12.102 30.858 16.580 1.00 11.70 N ATOM 787 CA LEU A1159 11.128 30.591 17.622 1.00 11.72 C ATOM 788 C LEU A1159 11.248 29.136 18.061 1.00 11.16 C ATOM 789 O LEU A1159 11.265 28.840 19.270 1.00 11.29 O ATOM 790 CB LEU A1159 9.719 30.892 17.086 1.00 12.34 C ATOM 791 CG LEU A1159 8.553 30.518 17.971 1.00 13.09 C ATOM 792 CD1 LEU A1159 8.591 31.205 19.325 1.00 13.59 C ATOM 793 CD2 LEU A1159 7.250 30.807 17.260 1.00 13.62 C ATOM 794 H LEU A1159 11.770 31.145 15.637 1.00 0.00 H ATOM 795 N MET A1160 11.343 28.210 17.105 1.00 10.58 N ATOM 796 CA MET A1160 11.559 26.818 17.391 1.00 10.46 C ATOM 797 C MET A1160 12.804 26.613 18.246 1.00 10.32 C ATOM 798 O MET A1160 12.774 25.909 19.259 1.00 10.54 O ATOM 799 CB MET A1160 11.645 26.047 16.086 1.00 10.74 C ATOM 800 CG MET A1160 11.912 24.576 16.230 1.00 11.06 C ATOM 801 SD MET A1160 12.055 23.713 14.661 1.00 11.92 S ATOM 802 CE MET A1160 13.742 24.147 14.260 1.00 14.42 C ATOM 803 H MET A1160 11.257 28.508 16.112 1.00 0.00 H ATOM 804 N PHE A1161 13.905 27.257 17.864 1.00 10.08 N ATOM 805 CA PHE A1161 15.149 27.123 18.641 1.00 10.68 C ATOM 806 C PHE A1161 14.999 27.691 20.050 1.00 10.35 C ATOM 807 O PHE A1161 15.402 27.058 21.042 1.00 10.65 O ATOM 808 CB PHE A1161 16.325 27.833 17.956 1.00 11.04 C ATOM 809 CG PHE A1161 16.712 27.299 16.598 1.00 11.07 C ATOM 810 CD1 PHE A1161 16.504 25.979 16.219 1.00 11.26 C ATOM 811 CD2 PHE A1161 17.384 28.159 15.726 1.00 11.71 C ATOM 812 CE1 PHE A1161 16.910 25.549 14.963 1.00 12.12 C ATOM 813 CE2 PHE A1161 17.821 27.714 14.474 1.00 12.44 C ATOM 814 CZ PHE A1161 17.591 26.413 14.120 1.00 12.20 C ATOM 815 H PHE A1161 13.886 27.856 17.014 1.00 0.00 H ATOM 816 N ASN A1162 14.461 28.902 20.135 1.00 10.77 N ATOM 817 CA ASN A1162 14.333 29.573 21.434 1.00 11.67 C ATOM 818 C ASN A1162 13.401 28.810 22.354 1.00 11.52 C ATOM 819 O ASN A1162 13.685 28.736 23.554 1.00 11.78 O ATOM 820 CB ASN A1162 13.902 31.013 21.246 1.00 13.17 C ATOM 821 CG ASN A1162 15.037 31.902 20.808 1.00 16.22 C ATOM 822 OD1 ASN A1162 16.167 31.723 21.222 1.00 20.98 O ATOM 823 ND2 ASN A1162 14.703 32.920 20.026 1.00 18.42 N ATOM 824 HD22 ASN A1162 13.721 33.025 19.701 1.00 0.00 H ATOM 825 HD21 ASN A1162 15.423 33.613 19.738 1.00 0.00 H ATOM 826 H ASN A1162 14.127 29.379 19.273 1.00 0.00 H ATOM 827 N ASN A1163 12.328 28.246 21.832 1.00 11.25 N ATOM 828 CA ASN A1163 11.463 27.413 22.675 1.00 11.37 C ATOM 829 C ASN A1163 12.246 26.262 23.285 1.00 11.09 C ATOM 830 O ASN A1163 12.105 25.936 24.466 1.00 11.44 O ATOM 831 CB ASN A1163 10.308 26.851 21.846 1.00 11.63 C ATOM 832 CG ASN A1163 9.279 27.891 21.456 1.00 11.99 C ATOM 833 OD1 ASN A1163 9.218 28.979 22.020 1.00 13.05 O ATOM 834 ND2 ASN A1163 8.437 27.534 20.507 1.00 12.53 N ATOM 835 HD22 ASN A1163 8.527 26.601 20.056 1.00 0.00 H ATOM 836 HD21 ASN A1163 7.683 28.185 20.209 1.00 0.00 H ATOM 837 H ASN A1163 12.097 28.391 20.828 1.00 0.00 H ATOM 838 N ALA A1164 13.088 25.622 22.464 1.00 10.59 N ATOM 839 CA ALA A1164 13.801 24.444 22.931 1.00 10.97 C ATOM 840 C ALA A1164 14.853 24.821 23.968 1.00 11.08 C ATOM 841 O ALA A1164 15.020 24.120 24.963 1.00 11.66 O ATOM 842 CB ALA A1164 14.385 23.690 21.752 1.00 11.27 C ATOM 843 H ALA A1164 13.232 25.967 21.493 1.00 0.00 H ATOM 844 N TRP A1165 15.576 25.904 23.732 1.00 11.09 N ATOM 845 CA TRP A1165 16.536 26.373 24.728 1.00 11.68 C ATOM 846 C TRP A1165 15.862 26.868 25.997 1.00 12.08 C ATOM 847 O TRP A1165 16.472 26.763 27.077 1.00 14.05 O ATOM 848 CB TRP A1165 17.435 27.451 24.159 1.00 11.92 C ATOM 849 CG TRP A1165 18.437 27.039 23.140 1.00 11.90 C ATOM 850 CD1 TRP A1165 19.264 25.945 23.156 1.00 12.25 C ATOM 851 CD2 TRP A1165 18.803 27.794 21.970 1.00 11.66 C ATOM 852 NE1 TRP A1165 20.104 25.965 22.056 1.00 12.36 N ATOM 853 CE2 TRP A1165 19.857 27.103 21.335 1.00 11.90 C ATOM 854 CE3 TRP A1165 18.354 28.993 21.410 1.00 12.36 C ATOM 855 CZ2 TRP A1165 20.436 27.567 20.161 1.00 12.51 C ATOM 856 CZ3 TRP A1165 18.930 29.455 20.278 1.00 12.89 C ATOM 857 CH2 TRP A1165 19.949 28.745 19.648 1.00 12.65 C ATOM 858 HE1 TRP A1165 20.806 25.236 21.817 1.00 0.00 H ATOM 859 H TRP A1165 15.461 26.421 22.837 1.00 0.00 H ATOM 860 N LEU A1166 14.660 27.406 25.918 1.00 12.33 N ATOM 861 CA LEU A1166 13.932 27.905 27.091 1.00 12.70 C ATOM 862 C LEU A1166 13.456 26.749 27.955 1.00 12.71 C ATOM 863 O LEU A1166 13.565 26.835 29.197 1.00 14.09 O ATOM 864 CB LEU A1166 12.711 28.699 26.623 1.00 13.48 C ATOM 865 CG LEU A1166 11.763 29.205 27.701 1.00 15.37 C ATOM 866 CD1 LEU A1166 12.424 30.169 28.680 1.00 17.19 C ATOM 867 CD2 LEU A1166 10.550 29.834 27.082 1.00 16.61 C ATOM 868 H LEU A1166 14.209 27.480 24.984 1.00 0.00 H ATOM 869 N TYR A1167 12.888 25.701 27.362 1.00 12.55 N ATOM 870 CA TYR A1167 12.222 24.661 28.121 1.00 13.26 C ATOM 871 C TYR A1167 13.189 23.605 28.641 1.00 13.25 C ATOM 872 O TYR A1167 12.994 23.068 29.730 1.00 14.37 O ATOM 873 CB TYR A1167 11.131 23.993 27.272 1.00 13.43 C ATOM 874 CG TYR A1167 10.364 22.996 28.087 1.00 13.84 C ATOM 875 CD1 TYR A1167 9.399 23.438 28.996 1.00 14.43 C ATOM 876 CD2 TYR A1167 10.656 21.638 28.060 1.00 14.69 C ATOM 877 CE1 TYR A1167 8.699 22.554 29.796 1.00 15.29 C ATOM 878 CE2 TYR A1167 9.999 20.759 28.906 1.00 15.85 C ATOM 879 CZ TYR A1167 9.027 21.213 29.778 1.00 15.68 C ATOM 880 OH TYR A1167 8.393 20.282 30.594 1.00 17.57 O ATOM 881 HH TYR A1167 7.726 20.743 31.162 1.00 0.00 H ATOM 882 H TYR A1167 12.923 25.626 26.325 1.00 0.00 H ATOM 883 N ASN A1168 14.179 23.220 27.834 1.00 13.28 N ATOM 884 CA ASN A1168 14.968 22.024 28.074 1.00 13.46 C ATOM 885 C ASN A1168 16.223 22.347 28.845 1.00 14.19 C ATOM 886 O ASN A1168 16.775 23.425 28.731 1.00 14.93 O ATOM 887 CB ASN A1168 15.304 21.370 26.735 1.00 13.34 C ATOM 888 CG ASN A1168 14.072 20.870 26.049 1.00 13.35 C ATOM 889 OD1 ASN A1168 13.560 19.786 26.357 1.00 15.40 O ATOM 890 ND2 ASN A1168 13.536 21.645 25.135 1.00 12.85 N ATOM 891 HD22 ASN A1168 13.985 22.551 24.893 1.00 0.00 H ATOM 892 HD21 ASN A1168 12.662 21.353 24.652 1.00 0.00 H ATOM 893 H ASN A1168 14.395 23.800 26.998 1.00 0.00 H ATOM 894 N ARG A1169 16.659 21.397 29.665 1.00 15.01 N ATOM 895 CA ARG A1169 17.899 21.514 30.431 1.00 15.87 C ATOM 896 C ARG A1169 19.129 21.495 29.532 1.00 15.08 C ATOM 897 O ARG A1169 19.141 20.859 28.492 1.00 14.00 O ATOM 898 CB ARG A1169 17.986 20.393 31.476 1.00 18.18 C ATOM 899 CG ARG A1169 16.853 20.394 32.501 1.00 21.26 C ATOM 900 CD ARG A1169 17.095 21.457 33.567 1.00 25.20 C ATOM 901 NE ARG A1169 15.896 22.027 34.210 1.00 29.76 N ATOM 902 CZ ARG A1169 15.083 22.955 33.671 1.00 33.15 C ATOM 903 NH1 ARG A1169 15.279 23.432 32.436 1.00 34.91 N ATOM 904 NH2 ARG A1169 14.035 23.401 34.369 1.00 35.66 N ATOM 905 HE ARG A1169 15.658 21.682 35.162 1.00 0.00 H ATOM 906 HH12 ARG A1169 14.634 24.149 32.047 1.00 0.00 H ATOM 907 HH11 ARG A1169 16.077 23.086 31.865 1.00 0.00 H ATOM 908 HH22 ARG A1169 13.403 24.118 33.958 1.00 0.00 H ATOM 909 HH21 ARG A1169 13.851 23.031 35.323 1.00 0.00 H ATOM 910 H ARG A1169 16.093 20.531 29.767 1.00 0.00 H ATOM 911 N LYS A1170 20.198 22.152 29.979 1.00 15.59 N ATOM 912 CA LYS A1170 21.411 22.263 29.145 1.00 16.35 C ATOM 913 C LYS A1170 22.103 20.965 28.836 1.00 15.94 C ATOM 914 O LYS A1170 22.820 20.857 27.862 1.00 16.71 O ATOM 915 CB LYS A1170 22.429 23.144 29.826 1.00 19.19 C ATOM 916 CG LYS A1170 22.002 24.598 29.882 1.00 21.73 C ATOM 917 CD LYS A1170 23.092 25.498 30.454 1.00 25.03 C ATOM 918 CE LYS A1170 23.394 25.234 31.917 1.00 26.50 C ATOM 919 NZ LYS A1170 22.279 25.598 32.831 1.00 28.17 N ATOM 920 HZ1 LYS A1170 22.071 26.612 32.735 1.00 0.00 H ATOM 921 HZ2 LYS A1170 21.434 25.044 32.583 1.00 0.00 H ATOM 922 HZ3 LYS A1170 22.555 25.391 33.812 1.00 0.00 H ATOM 923 H LYS A1170 20.178 22.590 30.922 1.00 0.00 H ATOM 924 N THR A1171 21.909 19.956 29.683 1.00 15.98 N ATOM 925 CA THR A1171 22.498 18.648 29.411 1.00 16.82 C ATOM 926 C THR A1171 21.628 17.763 28.570 1.00 16.03 C ATOM 927 O THR A1171 22.050 16.657 28.212 1.00 17.65 O ATOM 928 CB THR A1171 22.815 17.848 30.681 1.00 17.83 C ATOM 929 OG1 THR A1171 21.661 17.862 31.478 1.00 18.01 O ATOM 930 CG2 THR A1171 24.009 18.419 31.423 1.00 18.72 C ATOM 931 HG1 THR A1171 20.913 17.446 30.981 1.00 0.00 H ATOM 932 H THR A1171 21.337 20.100 30.540 1.00 0.00 H ATOM 933 N SER A1172 20.419 18.204 28.209 1.00 14.37 N ATOM 934 CA SER A1172 19.493 17.332 27.492 1.00 13.85 C ATOM 935 C SER A1172 19.867 17.167 26.020 1.00 12.83 C ATOM 936 O SER A1172 20.460 18.036 25.394 1.00 13.25 O ATOM 937 CB SER A1172 18.059 17.837 27.603 1.00 13.39 C ATOM 938 OG SER A1172 17.855 19.057 26.900 1.00 13.31 O ATOM 939 HG SER A1172 18.454 19.754 27.270 1.00 0.00 H ATOM 940 H SER A1172 20.135 19.177 28.441 1.00 0.00 H ATOM 941 N ARG A1173 19.457 16.045 25.468 1.00 12.98 N ATOM 942 CA ARG A1173 19.556 15.834 24.027 1.00 12.85 C ATOM 943 C ARG A1173 18.883 16.961 23.262 1.00 12.39 C ATOM 944 O ARG A1173 19.458 17.477 22.304 1.00 12.65 O ATOM 945 CB ARG A1173 18.926 14.511 23.611 1.00 12.90 C ATOM 946 CG ARG A1173 19.613 13.236 24.116 1.00 13.93 C ATOM 947 CD ARG A1173 18.789 11.995 23.891 1.00 14.58 C ATOM 948 NE ARG A1173 17.588 12.088 24.699 1.00 15.43 N ATOM 949 CZ ARG A1173 16.516 11.330 24.551 1.00 15.90 C ATOM 950 NH1 ARG A1173 16.488 10.359 23.655 1.00 16.73 N ATOM 951 NH2 ARG A1173 15.475 11.547 25.353 1.00 16.80 N ATOM 952 HE ARG A1173 17.569 12.805 25.452 1.00 0.00 H ATOM 953 HH12 ARG A1173 15.636 9.772 23.551 1.00 0.00 H ATOM 954 HH11 ARG A1173 17.318 10.182 23.054 1.00 0.00 H ATOM 955 HH22 ARG A1173 14.617 10.966 25.260 1.00 0.00 H ATOM 956 HH21 ARG A1173 15.520 12.297 26.072 1.00 0.00 H ATOM 957 H ARG A1173 19.056 15.296 26.068 1.00 0.00 H ATOM 958 N VAL A1174 17.656 17.333 23.636 1.00 11.69 N ATOM 959 CA VAL A1174 16.976 18.332 22.846 1.00 11.72 C ATOM 960 C VAL A1174 17.761 19.628 22.806 1.00 11.62 C ATOM 961 O VAL A1174 17.861 20.273 21.750 1.00 11.70 O ATOM 962 CB VAL A1174 15.543 18.571 23.351 1.00 11.95 C ATOM 963 CG1 VAL A1174 14.917 19.774 22.668 1.00 12.21 C ATOM 964 CG2 VAL A1174 14.686 17.333 23.126 1.00 12.49 C ATOM 965 H VAL A1174 17.203 16.915 24.473 1.00 0.00 H ATOM 966 N TYR A1175 18.305 20.043 23.939 1.00 11.68 N ATOM 967 CA TYR A1175 19.050 21.299 24.001 1.00 11.95 C ATOM 968 C TYR A1175 20.286 21.264 23.121 1.00 12.38 C ATOM 969 O TYR A1175 20.554 22.179 22.335 1.00 12.39 O ATOM 970 CB TYR A1175 19.387 21.610 25.468 1.00 11.93 C ATOM 971 CG TYR A1175 19.892 22.987 25.756 1.00 12.47 C ATOM 972 CD1 TYR A1175 21.202 23.356 25.505 1.00 12.95 C ATOM 973 CD2 TYR A1175 19.075 23.901 26.367 1.00 12.63 C ATOM 974 CE1 TYR A1175 21.660 24.625 25.844 1.00 13.72 C ATOM 975 CE2 TYR A1175 19.523 25.158 26.720 1.00 13.59 C ATOM 976 CZ TYR A1175 20.816 25.511 26.459 1.00 13.94 C ATOM 977 OH TYR A1175 21.222 26.789 26.839 1.00 16.23 O ATOM 978 HH TYR A1175 21.114 26.891 27.818 1.00 0.00 H ATOM 979 H TYR A1175 18.201 19.467 24.798 1.00 0.00 H ATOM 980 N LYS A1176 21.068 20.187 23.252 1.00 12.63 N ATOM 981 CA LYS A1176 22.269 20.063 22.457 1.00 13.01 C ATOM 982 C LYS A1176 21.958 19.933 20.967 1.00 12.95 C ATOM 983 O LYS A1176 22.683 20.481 20.108 1.00 12.85 O ATOM 984 CB LYS A1176 23.098 18.913 22.972 1.00 14.42 C ATOM 985 CG LYS A1176 23.652 19.215 24.360 1.00 16.50 C ATOM 986 CD LYS A1176 24.399 18.047 24.949 1.00 18.92 C ATOM 987 CE LYS A1176 25.251 18.419 26.132 1.00 20.66 C ATOM 988 NZ LYS A1176 26.213 19.527 25.864 1.00 23.21 N ATOM 989 HZ1 LYS A1176 26.858 19.247 25.097 1.00 0.00 H ATOM 990 HZ2 LYS A1176 25.688 20.380 25.583 1.00 0.00 H ATOM 991 HZ3 LYS A1176 26.762 19.724 26.725 1.00 0.00 H ATOM 992 H LYS A1176 20.812 19.438 23.926 1.00 0.00 H ATOM 993 N PHE A1177 20.917 19.178 20.651 1.00 12.01 N ATOM 994 CA PHE A1177 20.510 19.040 19.255 1.00 12.29 C ATOM 995 C PHE A1177 20.038 20.390 18.693 1.00 11.96 C ATOM 996 O PHE A1177 20.344 20.721 17.537 1.00 12.20 O ATOM 997 CB PHE A1177 19.400 18.017 19.140 1.00 12.35 C ATOM 998 CG PHE A1177 19.808 16.576 19.419 1.00 13.03 C ATOM 999 CD1 PHE A1177 21.139 16.170 19.627 1.00 13.56 C ATOM 1000 CD2 PHE A1177 18.843 15.610 19.448 1.00 13.84 C ATOM 1001 CE1 PHE A1177 21.428 14.824 19.834 1.00 14.44 C ATOM 1002 CE2 PHE A1177 19.151 14.265 19.646 1.00 15.25 C ATOM 1003 CZ PHE A1177 20.454 13.886 19.859 1.00 15.21 C ATOM 1004 H PHE A1177 20.389 18.683 21.398 1.00 0.00 H ATOM 1005 N CYS A1178 19.298 21.159 19.473 1.00 11.70 N ATOM 1006 CA CYS A1178 18.907 22.501 19.080 1.00 11.52 C ATOM 1007 C CYS A1178 20.130 23.337 18.692 1.00 11.68 C ATOM 1008 O CYS A1178 20.147 23.997 17.645 1.00 11.68 O ATOM 1009 CB CYS A1178 18.154 23.207 20.218 1.00 10.99 C ATOM 1010 SG CYS A1178 17.605 24.813 19.709 1.00 11.81 S ATOM 1011 H CYS A1178 18.987 20.792 20.395 1.00 0.00 H ATOM 1012 N SER A1179 21.166 23.288 19.529 1.00 12.06 N ATOM 1013 CA SER A1179 22.363 24.038 19.244 1.00 12.85 C ATOM 1014 C SER A1179 23.009 23.632 17.918 1.00 12.87 C ATOM 1015 O SER A1179 23.479 24.476 17.170 1.00 13.00 O ATOM 1016 CB SER A1179 23.342 23.945 20.403 1.00 13.40 C ATOM 1017 OG SER A1179 22.786 24.543 21.556 1.00 14.33 O ATOM 1018 HG SER A1179 23.431 24.477 22.304 1.00 0.00 H ATOM 1019 H SER A1179 21.110 22.707 20.390 1.00 0.00 H ATOM 1020 N LYS A1180 23.019 22.337 17.637 1.00 13.04 N ATOM 1021 CA LYS A1180 23.537 21.882 16.345 1.00 13.77 C ATOM 1022 C LYS A1180 22.692 22.410 15.186 1.00 13.13 C ATOM 1023 O LYS A1180 23.235 22.882 14.193 1.00 13.15 O ATOM 1024 CB LYS A1180 23.586 20.357 16.309 1.00 15.00 C ATOM 1025 CG LYS A1180 24.026 19.744 14.980 1.00 17.61 C ATOM 1026 CD LYS A1180 25.344 20.223 14.427 1.00 20.28 C ATOM 1027 CE LYS A1180 25.624 19.484 13.114 1.00 22.82 C ATOM 1028 NZ LYS A1180 26.926 19.753 12.470 1.00 25.53 N ATOM 1029 HZ1 LYS A1180 26.998 20.766 12.247 1.00 0.00 H ATOM 1030 HZ2 LYS A1180 27.694 19.483 13.118 1.00 0.00 H ATOM 1031 HZ3 LYS A1180 26.999 19.198 11.594 1.00 0.00 H ATOM 1032 H LYS A1180 22.661 21.648 18.329 1.00 0.00 H ATOM 1033 N LEU A1181 21.370 22.327 15.303 1.00 12.55 N ATOM 1034 CA LEU A1181 20.524 22.854 14.241 1.00 12.30 C ATOM 1035 C LEU A1181 20.730 24.340 14.008 1.00 11.81 C ATOM 1036 O LEU A1181 20.701 24.795 12.878 1.00 12.08 O ATOM 1037 CB LEU A1181 19.054 22.583 14.524 1.00 12.15 C ATOM 1038 CG LEU A1181 18.591 21.133 14.597 1.00 13.10 C ATOM 1039 CD1 LEU A1181 17.078 21.087 14.730 1.00 13.91 C ATOM 1040 CD2 LEU A1181 19.048 20.294 13.417 1.00 13.55 C ATOM 1041 H LEU A1181 20.944 21.890 16.145 1.00 0.00 H ATOM 1042 N ALA A1182 20.956 25.101 15.080 1.00 11.88 N ATOM 1043 CA ALA A1182 21.171 26.528 14.937 1.00 11.99 C ATOM 1044 C ALA A1182 22.483 26.808 14.193 1.00 12.74 C ATOM 1045 O ALA A1182 22.536 27.741 13.394 1.00 13.24 O ATOM 1046 CB ALA A1182 21.144 27.222 16.296 1.00 12.25 C ATOM 1047 H ALA A1182 20.978 24.668 16.025 1.00 0.00 H ATOM 1048 N GLU A1183 23.499 25.985 14.417 1.00 13.09 N ATOM 1049 CA GLU A1183 24.753 26.112 13.679 1.00 14.13 C ATOM 1050 C GLU A1183 24.529 25.830 12.190 1.00 14.07 C ATOM 1051 O GLU A1183 25.002 26.586 11.330 1.00 15.07 O ATOM 1052 CB GLU A1183 25.767 25.139 14.263 1.00 15.49 C ATOM 1053 CG GLU A1183 27.159 25.212 13.662 1.00 18.30 C ATOM 1054 CD GLU A1183 28.052 24.157 14.283 1.00 21.20 C ATOM 1055 OE1 GLU A1183 27.934 22.990 13.897 1.00 25.40 O ATOM 1056 OE2 GLU A1183 28.862 24.486 15.167 1.00 26.33 O ATOM 1057 H GLU A1183 23.401 25.236 15.131 1.00 0.00 H ATOM 1058 N VAL A1184 23.813 24.759 11.870 1.00 13.73 N ATOM 1059 CA VAL A1184 23.528 24.420 10.475 1.00 14.36 C ATOM 1060 C VAL A1184 22.717 25.504 9.811 1.00 13.66 C ATOM 1061 O VAL A1184 23.024 25.969 8.684 1.00 14.89 O ATOM 1062 CB VAL A1184 22.801 23.064 10.409 1.00 14.33 C ATOM 1063 CG1 VAL A1184 22.320 22.768 8.984 1.00 15.17 C ATOM 1064 CG2 VAL A1184 23.703 21.952 10.913 1.00 14.86 C ATOM 1065 H VAL A1184 23.447 24.147 12.627 1.00 0.00 H ATOM 1066 N PHE A1185 21.655 25.951 10.486 1.00 13.58 N ATOM 1067 CA PHE A1185 20.767 26.950 9.902 1.00 13.34 C ATOM 1068 C PHE A1185 21.461 28.251 9.567 1.00 13.65 C ATOM 1069 O PHE A1185 21.254 28.851 8.501 1.00 14.00 O ATOM 1070 CB PHE A1185 19.556 27.232 10.799 1.00 12.91 C ATOM 1071 CG PHE A1185 18.521 28.098 10.156 1.00 13.05 C ATOM 1072 CD1 PHE A1185 17.775 27.634 9.083 1.00 13.47 C ATOM 1073 CD2 PHE A1185 18.291 29.370 10.589 1.00 13.66 C ATOM 1074 CE1 PHE A1185 16.814 28.427 8.511 1.00 13.56 C ATOM 1075 CE2 PHE A1185 17.320 30.168 10.005 1.00 14.04 C ATOM 1076 CZ PHE A1185 16.597 29.684 8.943 1.00 14.11 C ATOM 1077 H PHE A1185 21.459 25.583 11.439 1.00 0.00 H ATOM 1078 N GLU A1186 22.292 28.710 10.489 1.00 13.94 N ATOM 1079 CA GLU A1186 23.041 29.956 10.281 1.00 15.01 C ATOM 1080 C GLU A1186 23.804 29.954 8.956 1.00 15.65 C ATOM 1081 O GLU A1186 23.811 30.938 8.238 1.00 15.92 O ATOM 1082 CB GLU A1186 24.000 30.133 11.456 1.00 15.97 C ATOM 1083 CG GLU A1186 25.171 31.036 11.270 1.00 17.05 C ATOM 1084 CD GLU A1186 26.034 31.010 12.491 1.00 17.14 C ATOM 1085 OE1 GLU A1186 25.582 31.565 13.482 1.00 16.24 O ATOM 1086 OE2 GLU A1186 27.135 30.421 12.466 1.00 18.62 O ATOM 1087 H GLU A1186 22.417 28.180 11.375 1.00 0.00 H ATOM 1088 N GLN A1187 24.469 28.848 8.679 1.00 15.98 N ATOM 1089 CA GLN A1187 25.290 28.751 7.473 1.00 17.75 C ATOM 1090 C GLN A1187 24.416 28.738 6.230 1.00 17.16 C ATOM 1091 O GLN A1187 24.757 29.342 5.208 1.00 18.49 O ATOM 1092 CB GLN A1187 26.091 27.462 7.536 1.00 20.25 C ATOM 1093 CG GLN A1187 27.098 27.421 8.651 1.00 24.51 C ATOM 1094 CD GLN A1187 27.878 26.118 8.710 1.00 28.74 C ATOM 1095 OE1 GLN A1187 27.991 25.400 7.706 1.00 32.86 O ATOM 1096 NE2 GLN A1187 28.451 25.817 9.885 1.00 31.55 N ATOM 1097 HE22 GLN A1187 28.328 26.450 10.701 1.00 0.00 H ATOM 1098 HE21 GLN A1187 29.018 24.950 9.980 1.00 0.00 H ATOM 1099 H GLN A1187 24.408 28.036 9.326 1.00 0.00 H ATOM 1100 N GLU A1188 23.290 28.039 6.301 1.00 16.39 N ATOM 1101 CA GLU A1188 22.391 27.928 5.140 1.00 16.66 C ATOM 1102 C GLU A1188 21.657 29.218 4.818 1.00 16.01 C ATOM 1103 O GLU A1188 21.459 29.572 3.642 1.00 16.35 O ATOM 1104 CB GLU A1188 21.358 26.837 5.376 1.00 18.61 C ATOM 1105 CG GLU A1188 21.973 25.463 5.521 1.00 21.12 C ATOM 1106 CD GLU A1188 22.424 24.868 4.215 1.00 25.21 C ATOM 1107 OE1 GLU A1188 21.887 25.272 3.152 1.00 28.76 O ATOM 1108 OE2 GLU A1188 23.337 24.014 4.258 1.00 30.24 O ATOM 1109 H GLU A1188 23.039 27.562 7.190 1.00 0.00 H ATOM 1110 N ILE A1189 21.194 29.901 5.856 1.00 15.14 N ATOM 1111 CA ILE A1189 20.254 30.988 5.620 1.00 14.83 C ATOM 1112 C ILE A1189 20.862 32.295 5.087 1.00 15.77 C ATOM 1113 O ILE A1189 20.190 33.046 4.386 1.00 16.23 O ATOM 1114 CB ILE A1189 19.444 31.243 6.914 1.00 14.11 C ATOM 1115 CG1 ILE A1189 18.188 32.062 6.675 1.00 14.43 C ATOM 1116 CG2 ILE A1189 20.304 31.868 8.018 1.00 14.28 C ATOM 1117 CD1 ILE A1189 17.227 31.512 5.650 1.00 14.65 C ATOM 1118 H ILE A1189 21.497 29.664 6.822 1.00 0.00 H ATOM 1119 N ASP A1190 22.109 32.557 5.436 1.00 17.74 N ATOM 1120 CA ASP A1190 22.680 33.850 5.085 1.00 19.24 C ATOM 1121 C ASP A1190 22.742 34.132 3.568 1.00 19.45 C ATOM 1122 O ASP A1190 22.202 35.142 3.129 1.00 18.59 O ATOM 1123 CB ASP A1190 24.033 34.046 5.747 1.00 21.39 C ATOM 1124 CG ASP A1190 24.698 35.313 5.312 1.00 23.58 C ATOM 1125 OD1 ASP A1190 24.056 36.394 5.380 1.00 25.36 O ATOM 1126 OD2 ASP A1190 25.864 35.208 4.929 1.00 28.03 O ATOM 1127 H ASP A1190 22.673 31.852 5.952 1.00 0.00 H ATOM 1128 N PRO A1191 23.308 33.206 2.761 1.00 19.72 N ATOM 1129 CA PRO A1191 23.335 33.495 1.319 1.00 20.17 C ATOM 1130 C PRO A1191 21.947 33.565 0.708 1.00 19.91 C ATOM 1131 O PRO A1191 21.711 34.319 -0.248 1.00 20.35 O ATOM 1132 CB PRO A1191 24.145 32.318 0.738 1.00 21.60 C ATOM 1133 CG PRO A1191 24.047 31.237 1.751 1.00 21.87 C ATOM 1134 CD PRO A1191 24.056 31.972 3.062 1.00 20.39 C ATOM 1135 N VAL A1192 21.008 32.804 1.270 1.00 18.46 N ATOM 1136 CA VAL A1192 19.649 32.806 0.750 1.00 18.36 C ATOM 1137 C VAL A1192 18.984 34.150 1.044 1.00 17.83 C ATOM 1138 O VAL A1192 18.329 34.721 0.163 1.00 18.37 O ATOM 1139 CB VAL A1192 18.840 31.625 1.324 1.00 18.66 C ATOM 1140 CG1 VAL A1192 17.380 31.715 0.915 1.00 19.49 C ATOM 1141 CG2 VAL A1192 19.459 30.306 0.857 1.00 18.82 C ATOM 1142 H VAL A1192 21.248 32.205 2.085 1.00 0.00 H ATOM 1143 N MET A1193 19.123 34.667 2.264 1.00 17.35 N ATOM 1144 CA MET A1193 18.534 35.963 2.572 1.00 18.28 C ATOM 1145 C MET A1193 19.134 37.088 1.721 1.00 20.48 C ATOM 1146 O MET A1193 18.404 37.992 1.309 1.00 23.48 O ATOM 1147 CB MET A1193 18.680 36.273 4.062 1.00 18.22 C ATOM 1148 CG MET A1193 17.841 35.346 4.934 1.00 17.74 C ATOM 1149 SD MET A1193 16.081 35.420 4.628 1.00 17.65 S ATOM 1150 CE MET A1193 15.672 36.940 5.454 1.00 19.30 C ATOM 1151 H MET A1193 19.650 34.147 2.994 1.00 0.00 H ATOM 1152 N GLN A1194 20.441 37.015 1.435 1.00 22.62 N ATOM 1153 CA GLN A1194 21.095 37.999 0.543 1.00 24.46 C ATOM 1154 C GLN A1194 20.432 37.950 -0.826 1.00 25.75 C ATOM 1155 O GLN A1194 20.082 39.004 -1.404 1.00 27.10 O ATOM 1156 CB GLN A1194 22.586 37.702 0.444 1.00 25.86 C ATOM 1157 CG GLN A1194 23.357 37.952 1.723 1.00 27.64 C ATOM 1158 CD GLN A1194 24.838 37.629 1.606 1.00 31.24 C ATOM 1159 OE1 GLN A1194 25.228 36.606 1.034 1.00 34.40 O ATOM 1160 NE2 GLN A1194 25.675 38.497 2.166 1.00 33.07 N ATOM 1161 HE22 GLN A1194 25.304 39.346 2.638 1.00 0.00 H ATOM 1162 HE21 GLN A1194 26.700 38.327 2.132 1.00 0.00 H ATOM 1163 H GLN A1194 21.009 36.249 1.849 1.00 0.00 H ATOM 1164 N SER A1195 20.225 36.735 -1.332 1.00 25.88 N ATOM 1165 CA SER A1195 19.646 36.500 -2.660 1.00 26.59 C ATOM 1166 C SER A1195 18.205 37.008 -2.786 1.00 27.24 C ATOM 1167 O SER A1195 17.783 37.413 -3.873 1.00 29.09 O ATOM 1168 CB SER A1195 19.773 35.009 -3.067 1.00 27.44 C ATOM 1169 OG SER A1195 18.808 34.145 -2.480 1.00 29.69 O ATOM 1170 HG SER A1195 18.892 34.180 -1.494 1.00 0.00 H ATOM 1171 H SER A1195 20.487 35.910 -0.756 1.00 0.00 H ATOM 1172 N LEU A1196 17.456 36.977 -1.678 1.00 26.45 N ATOM 1173 CA LEU A1196 16.057 37.385 -1.678 1.00 26.58 C ATOM 1174 C LEU A1196 15.848 38.870 -1.501 1.00 29.54 C ATOM 1175 O LEU A1196 14.910 39.404 -2.078 1.00 32.43 O ATOM 1176 CB LEU A1196 15.288 36.625 -0.594 1.00 24.18 C ATOM 1177 CG LEU A1196 15.035 35.148 -0.879 1.00 22.82 C ATOM 1178 CD1 LEU A1196 14.487 34.492 0.374 1.00 21.36 C ATOM 1179 CD2 LEU A1196 14.077 34.947 -2.046 1.00 23.13 C ATOM 1180 H LEU A1196 17.886 36.651 -0.789 1.00 0.00 H ATOM 1181 N GLY A1197 16.691 39.512 -0.693 1.00 31.98 N ATOM 1182 CA GLY A1197 16.589 40.951 -0.424 1.00 34.30 C ATOM 1183 C GLY A1197 15.288 41.372 0.246 1.00 36.34 C ATOM 1184 O GLY A1197 14.827 42.508 0.060 1.00 38.95 O ATOM 1185 OXT GLY A1197 14.660 40.597 0.976 1.00 37.86 O ATOM 1186 H GLY A1197 17.452 38.971 -0.234 1.00 0.00 H TER 1187 GLY A1197 HETATM 1188 O HOH 1 -4.739 15.691 22.556 1.00 28.00 O HETATM 1189 O HOH 2 19.381 9.581 19.230 1.00 22.19 O HETATM 1190 O HOH 3 -0.268 34.873 5.594 1.00 36.32 O HETATM 1191 O HOH 4 1.294 22.649 13.884 1.00 22.32 O HETATM 1192 O HOH 5 15.718 7.798 18.515 1.00 30.92 O HETATM 1193 O HOH 6 10.703 23.165 22.599 1.00 11.86 O HETATM 1194 O HOH 7 14.589 17.456 27.277 1.00 17.94 O HETATM 1195 O HOH 8 -0.455 32.184 9.181 1.00 30.58 O HETATM 1196 O HOH 9 23.336 14.370 28.627 1.00 18.69 O HETATM 1197 O HOH 10 28.528 18.310 26.401 1.00 32.07 O HETATM 1198 O HOH 11 23.720 15.217 11.843 1.00 27.44 O HETATM 1199 O HOH 12 7.655 33.730 14.385 1.00 20.37 O HETATM 1200 O HOH 13 27.275 33.227 14.730 1.00 15.49 O HETATM 1201 O HOH 14 4.413 32.066 13.698 1.00 19.80 O HETATM 1202 O HOH 15 22.983 20.076 5.133 1.00 35.29 O HETATM 1203 O HOH 16 7.854 16.985 9.554 1.00 28.28 O HETATM 1204 O HOH 17 2.915 29.136 17.427 1.00 27.19 O HETATM 1205 O HOH 18 12.222 33.727 19.279 1.00 27.03 O HETATM 1206 O HOH 19 4.868 23.170 16.777 1.00 14.89 O HETATM 1207 O HOH 20 4.171 19.707 7.183 1.00 22.77 O HETATM 1208 O HOH 21 20.688 29.743 13.432 1.00 19.60 O HETATM 1209 O HOH 22 2.256 20.010 12.101 1.00 38.68 O HETATM 1210 O HOH 23 10.136 22.135 17.979 1.00 13.19 O HETATM 1211 O HOH 24 4.574 31.608 1.954 1.00 18.78 O HETATM 1212 O HOH 25 3.085 20.565 4.577 1.00 28.45 O HETATM 1213 O HOH 26 18.039 28.520 -2.025 1.00 23.99 O HETATM 1214 O HOH 27 11.816 24.209 31.916 1.00 28.26 O HETATM 1215 O HOH 28 27.637 27.834 11.543 1.00 32.52 O HETATM 1216 O HOH 29 19.967 21.977 1.762 1.00 25.48 O HETATM 1217 O HOH 30 5.057 39.714 -0.133 1.00 24.79 O HETATM 1218 O HOH 31 24.533 22.298 26.281 1.00 18.70 O HETATM 1219 O HOH 32 19.562 16.173 30.956 1.00 17.13 O HETATM 1220 O HOH 33 25.423 20.641 20.156 1.00 20.26 O HETATM 1221 O HOH 34 17.890 25.678 29.839 1.00 25.37 O HETATM 1222 O HOH 35 16.762 10.621 9.343 1.00 30.15 O HETATM 1223 O HOH 36 6.691 33.166 21.928 1.00 26.86 O HETATM 1224 O HOH 37 25.808 14.123 14.294 1.00 28.75 O HETATM 1225 O HOH 38 -0.401 33.530 0.204 1.00 22.42 O HETATM 1226 O HOH 39 9.502 16.129 20.112 1.00 18.67 O HETATM 1227 O HOH 40 12.433 24.370 36.402 1.00 27.24 O HETATM 1228 O HOH 41 7.095 31.163 25.551 1.00 21.04 O HETATM 1229 O HOH 42 6.962 34.495 11.786 1.00 21.02 O HETATM 1230 O HOH 43 7.944 24.351 20.186 1.00 14.70 O HETATM 1231 O HOH 44 9.093 19.613 18.293 1.00 13.26 O HETATM 1232 O HOH 45 24.762 26.691 18.244 1.00 18.07 O HETATM 1233 O HOH 46 1.816 30.124 12.575 1.00 26.49 O HETATM 1234 O HOH 47 11.426 34.397 16.650 1.00 20.49 O HETATM 1235 O HOH 48 17.874 6.922 12.339 1.00 24.96 O HETATM 1236 O HOH 49 22.145 27.806 1.597 1.00 28.73 O HETATM 1237 O HOH 50 6.991 30.463 22.816 1.00 16.37 O HETATM 1238 O HOH 51 4.201 34.981 -0.286 1.00 23.80 O HETATM 1239 O HOH 52 11.249 12.364 14.845 1.00 21.52 O HETATM 1240 O HOH 53 6.030 29.805 0.513 1.00 16.68 O HETATM 1241 O HOH 54 3.505 21.773 20.422 1.00 18.87 O HETATM 1242 O HOH 55 26.019 18.329 9.918 1.00 30.25 O HETATM 1243 O HOH 56 5.644 42.240 0.960 1.00 37.32 O HETATM 1244 O HOH 57 16.072 38.954 2.758 1.00 36.43 O HETATM 1245 O HOH 58 5.954 14.991 21.239 1.00 35.28 O HETATM 1246 O HOH 59 10.799 31.215 22.724 1.00 21.71 O HETATM 1247 O HOH 60 1.287 21.921 28.011 1.00 29.46 O HETATM 1248 O HOH 61 9.363 15.126 16.437 1.00 17.83 O HETATM 1249 O HOH 62 1.659 33.012 -6.745 1.00 34.60 O HETATM 1250 O HOH 63 -0.095 28.595 10.861 1.00 26.88 O HETATM 1251 O HOH 64 10.861 23.906 19.919 1.00 12.77 O HETATM 1252 O HOH 65 7.638 24.493 35.573 1.00 24.53 O HETATM 1253 O HOH 66 7.881 31.369 29.649 1.00 26.41 O HETATM 1254 O HOH 67 20.056 27.482 29.351 1.00 21.31 O HETATM 1255 O HOH 68 -3.313 28.148 1.444 1.00 19.77 O HETATM 1256 O HOH 69 0.935 30.079 18.938 1.00 25.31 O HETATM 1257 O HOH 70 10.539 39.914 10.936 1.00 32.01 O HETATM 1258 O HOH 71 1.188 27.361 24.022 1.00 27.22 O HETATM 1259 O HOH 72 10.121 22.596 33.487 1.00 30.96 O HETATM 1260 O HOH 73 13.166 9.874 25.714 1.00 33.29 O HETATM 1261 O HOH 74 1.088 35.021 3.005 1.00 36.63 O HETATM 1262 O HOH 75 10.740 11.427 25.590 1.00 29.10 O HETATM 1263 O HOH 76 13.229 32.088 -5.416 1.00 36.28 O HETATM 1264 O HOH 77 7.720 26.626 -5.228 1.00 22.49 O HETATM 1265 O HOH 78 29.169 26.257 17.454 1.00 33.47 O HETATM 1266 O HOH 79 25.157 11.845 12.785 1.00 29.76 O HETATM 1267 O HOH 80 27.106 31.061 5.105 1.00 30.14 O HETATM 1268 O HOH 81 16.822 27.208 -4.383 1.00 31.31 O HETATM 1269 O HOH 82 24.254 23.030 23.576 1.00 19.03 O HETATM 1270 O HOH 83 7.424 33.300 -9.883 1.00 27.20 O HETATM 1271 O HOH 84 -1.107 25.247 29.502 1.00 39.53 O HETATM 1272 O HOH 85 19.083 12.215 7.192 1.00 41.08 O HETATM 1273 O HOH 86 5.995 22.171 19.074 1.00 15.44 O HETATM 1274 O HOH 87 15.240 30.914 24.818 1.00 26.35 O HETATM 1275 O HOH 88 3.731 24.006 -2.079 1.00 33.06 O HETATM 1276 O HOH 89 15.376 18.701 29.764 1.00 18.69 O HETATM 1277 O HOH 90 22.611 12.897 9.649 1.00 31.87 O HETATM 1278 O HOH 91 17.723 15.149 1.831 1.00 52.58 O HETATM 1279 O HOH 92 7.563 37.217 12.267 1.00 31.27 O HETATM 1280 O HOH 93 24.331 18.012 6.515 1.00 34.60 O HETATM 1281 O HOH 94 11.326 10.976 12.023 1.00 30.43 O HETATM 1282 O HOH 95 19.849 23.450 32.719 1.00 26.35 O HETATM 1283 O HOH 96 13.085 20.240 30.947 1.00 35.00 O HETATM 1284 O HOH 97 7.341 15.545 18.437 1.00 22.91 O HETATM 1285 O HOH 98 21.207 24.177 0.302 1.00 50.12 O HETATM 1286 O HOH 99 27.165 17.658 22.236 1.00 43.30 O HETATM 1287 O HOH 100 13.899 36.198 20.467 1.00 48.81 O HETATM 1288 O HOH 101 13.448 36.271 16.137 1.00 33.01 O HETATM 1289 O HOH 102 8.483 37.919 15.407 1.00 42.50 O HETATM 1290 O HOH 103 -5.370 20.466 4.254 1.00 37.80 O HETATM 1291 O HOH 104 0.000 22.499 0.000 1.00 48.01 O HETATM 1292 O HOH 105 26.498 22.357 17.979 1.00 28.57 O HETATM 1293 O HOH 106 -1.352 18.224 24.696 1.00 34.68 O HETATM 1294 O HOH 107 16.285 7.616 21.319 1.00 27.00 O HETATM 1295 O HOH 108 4.881 34.019 17.745 1.00 39.14 O HETATM 1296 O HOH 109 28.483 31.848 9.319 1.00 49.24 O HETATM 1297 O HOH 110 2.074 23.489 16.576 1.00 18.47 O HETATM 1298 O HOH 111 0.999 26.017 16.571 1.00 28.25 O HETATM 1299 O HOH 112 8.592 34.959 16.631 1.00 29.57 O HETATM 1300 O HOH 113 3.616 31.676 16.418 1.00 31.04 O HETATM 1301 O HOH 114 12.328 32.319 24.820 1.00 32.48 O HETATM 1302 O HOH 115 -0.688 28.205 20.154 1.00 36.39 O HETATM 1303 O HOH 116 8.478 12.900 14.925 1.00 33.00 O HETATM 1304 O HOH 117 8.991 14.097 9.551 1.00 33.62 O HETATM 1305 O HOH 118 26.527 34.062 9.175 1.00 22.45 O HETATM 1306 O HOH 119 26.400 22.173 22.303 1.00 30.11 O HETATM 1307 O HOH 120 10.570 33.536 21.374 1.00 32.39 O HETATM 1308 O HOH 121 1.456 28.347 14.808 1.00 31.18 O HETATM 1309 O HOH 122 1.153 22.368 18.964 1.00 18.79 O HETATM 1310 O HOH 123 -0.346 26.102 22.039 1.00 23.92 O HETATM 1311 O HOH 124 -0.253 19.679 18.200 1.00 26.49 O HETATM 1312 O HOH 125 9.949 11.517 22.846 1.00 33.45 O HETATM 1313 O HOH 126 -1.267 20.298 26.760 1.00 42.24 O HETATM 1314 O HOH 127 -0.884 24.063 19.860 1.00 23.34 O HETATM 1315 O3 UNN A 128 12.326 12.113 18.624 1.00 -0.32 O HETATM 1316 C21 UNN A 128 12.958 12.553 19.755 1.00 0.08 C HETATM 1317 C22 UNN A 128 14.290 12.193 19.786 1.00 -0.01 C HETATM 1318 C23 UNN A 128 15.055 12.564 20.883 1.00 0.08 C HETATM 1319 C24 UNN A 128 14.493 13.281 21.933 1.00 -0.04 C HETATM 1320 C19 UNN A 128 13.143 13.649 21.890 1.00 -0.04 C HETATM 1321 C9 UNN A 128 12.522 14.457 22.971 1.00 -0.03 C HETATM 1322 C8 UNN A 128 11.599 15.456 22.653 1.00 -0.05 C HETATM 1323 C6 UNN A 128 10.951 16.187 23.639 1.00 0.02 C HETATM 1324 C5 UNN A 128 11.236 15.911 24.970 1.00 0.12 C HETATM 1325 C11 UNN A 128 12.154 14.925 25.337 1.00 0.07 C HETATM 1326 C10 UNN A 128 12.796 14.200 24.321 1.00 -0.05 C HETATM 1327 H8 UNN A 128 13.513 13.431 24.584 1.00 0.06 H HETATM 1328 C12 UNN A 128 12.437 14.607 26.774 1.00 0.20 C HETATM 1329 N1 UNN A 128 12.087 13.394 27.219 1.00 -0.28 N HETATM 1330 C13 UNN A 128 12.029 13.069 28.647 1.00 0.08 C HETATM 1331 C14 UNN A 128 10.938 13.864 29.353 1.00 -0.02 C HETATM 1332 C15 UNN A 128 10.814 13.453 30.819 1.00 -0.01 C HETATM 1333 C16 UNN A 128 10.653 11.950 30.949 1.00 -0.03 C HETATM 1334 N2 UNN A 128 11.708 11.225 30.243 1.00 0.23 N HETATM 1335 C18 UNN A 128 11.708 11.595 28.827 1.00 -0.01 C HETATM 1336 H30 UNN A 128 10.715 11.389 28.402 1.00 0.08 H HETATM 1337 H31 UNN A 128 12.464 10.996 28.299 1.00 0.08 H HETATM 1338 C17 UNN A 128 11.538 9.770 30.396 1.00 -0.04 C HETATM 1339 H32 UNN A 128 11.540 9.511 31.465 1.00 0.08 H HETATM 1340 H33 UNN A 128 12.365 9.249 29.891 1.00 0.08 H HETATM 1341 H34 UNN A 128 10.582 9.463 29.947 1.00 0.08 H HETATM 1342 H7 UNN A 128 12.596 11.485 30.642 1.00 0.20 H HETATM 1343 H35 UNN A 128 10.688 11.680 32.015 1.00 0.08 H HETATM 1344 H36 UNN A 128 9.679 11.659 30.529 1.00 0.08 H HETATM 1345 H12 UNN A 128 9.936 13.948 31.259 1.00 0.03 H HETATM 1346 H13 UNN A 128 11.720 13.766 31.358 1.00 0.03 H HETATM 1347 H10 UNN A 128 9.978 13.683 28.847 1.00 0.03 H HETATM 1348 H11 UNN A 128 11.184 14.935 29.300 1.00 0.03 H HETATM 1349 H9 UNN A 128 13.003 13.296 29.106 1.00 0.06 H HETATM 1350 H3 UNN A 128 11.857 12.684 26.553 1.00 0.18 H HETATM 1351 O1 UNN A 128 12.877 15.468 27.526 1.00 -0.39 O HETATM 1352 O UNN A 128 10.590 16.617 25.963 1.00 -0.31 O HETATM 1353 C4 UNN A 128 10.935 18.014 26.064 1.00 0.09 C HETATM 1354 C3 UNN A 128 10.070 18.856 25.154 1.00 0.06 C HETATM 1355 N UNN A 128 10.365 18.591 23.739 1.00 -0.26 N HETATM 1356 C7 UNN A 128 9.953 17.258 23.273 1.00 0.07 C HETATM 1357 H4 UNN A 128 8.984 17.008 23.729 1.00 0.07 H HETATM 1358 H5 UNN A 128 9.848 17.284 22.178 1.00 0.07 H HETATM 1359 C2 UNN A 128 10.984 19.513 22.976 1.00 0.18 C HETATM 1360 O4 UNN A 128 11.313 20.609 23.425 1.00 -0.40 O HETATM 1361 C1 UNN A 128 11.315 19.145 21.542 1.00 0.03 C HETATM 1362 C UNN A 128 11.753 20.294 20.689 1.00 -0.05 C HETATM 1363 H16 UNN A 128 11.970 19.934 19.672 1.00 0.03 H HETATM 1364 H17 UNN A 128 12.659 20.746 21.119 1.00 0.03 H HETATM 1365 H18 UNN A 128 10.952 21.047 20.648 1.00 0.03 H HETATM 1366 H14 UNN A 128 10.418 18.702 21.086 1.00 0.05 H HETATM 1367 H15 UNN A 128 12.125 18.401 21.557 1.00 0.05 H HETATM 1368 H28 UNN A 128 10.257 19.919 25.366 1.00 0.06 H HETATM 1369 H29 UNN A 128 9.013 18.623 25.349 1.00 0.06 H HETATM 1370 H1 UNN A 128 11.989 18.145 25.779 1.00 0.06 H HETATM 1371 H2 UNN A 128 10.792 18.345 27.103 1.00 0.06 H HETATM 1372 H6 UNN A 128 11.384 15.665 21.611 1.00 0.06 H HETATM 1373 C20 UNN A 128 12.380 13.267 20.790 1.00 -0.04 C HETATM 1374 H27 UNN A 128 11.329 13.530 20.744 1.00 0.04 H HETATM 1375 H19 UNN A 128 15.101 13.556 22.787 1.00 0.04 H HETATM 1376 O2 UNN A 128 16.377 12.244 21.031 1.00 -0.32 O HETATM 1377 C25 UNN A 128 17.000 11.366 20.096 1.00 0.06 C HETATM 1378 H20 UNN A 128 18.055 11.225 20.372 1.00 0.06 H HETATM 1379 H21 UNN A 128 16.940 11.802 19.088 1.00 0.06 H HETATM 1380 H22 UNN A 128 16.485 10.394 20.107 1.00 0.06 H HETATM 1381 H23 UNN A 128 14.730 11.632 18.970 1.00 0.05 H HETATM 1382 C26 UNN A 128 10.918 12.299 18.497 1.00 0.06 C HETATM 1383 H24 UNN A 128 10.579 11.889 17.534 1.00 0.06 H HETATM 1384 H25 UNN A 128 10.685 13.373 18.541 1.00 0.06 H HETATM 1385 H26 UNN A 128 10.404 11.778 19.318 1.00 0.06 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1315 1316 1382 CONECT 1316 1315 1317 1373 CONECT 1317 1316 1318 1381 CONECT 1318 1317 1319 1376 CONECT 1319 1318 1320 1375 CONECT 1320 1319 1321 1373 CONECT 1321 1320 1322 1326 CONECT 1322 1321 1323 1372 CONECT 1323 1322 1324 1356 CONECT 1324 1323 1325 1352 CONECT 1325 1324 1326 1328 CONECT 1326 1321 1325 1327 CONECT 1327 1326 CONECT 1328 1325 1329 1351 CONECT 1329 1328 1330 1350 CONECT 1330 1329 1331 1335 1349 CONECT 1331 1330 1332 1347 1348 CONECT 1332 1331 1333 1345 1346 CONECT 1333 1332 1334 1343 1344 CONECT 1334 1333 1335 1338 1342 CONECT 1335 1330 1334 1336 1337 CONECT 1336 1335 CONECT 1337 1335 CONECT 1338 1334 1339 1340 1341 CONECT 1339 1338 CONECT 1340 1338 CONECT 1341 1338 CONECT 1342 1334 CONECT 1343 1333 CONECT 1344 1333 CONECT 1345 1332 CONECT 1346 1332 CONECT 1347 1331 CONECT 1348 1331 CONECT 1349 1330 CONECT 1350 1329 CONECT 1351 1328 CONECT 1352 1324 1353 CONECT 1353 1352 1354 1370 1371 CONECT 1354 1353 1355 1368 1369 CONECT 1355 1354 1356 1359 CONECT 1356 1323 1355 1357 1358 CONECT 1357 1356 CONECT 1358 1356 CONECT 1359 1355 1360 1361 CONECT 1360 1359 CONECT 1361 1359 1362 1366 1367 CONECT 1362 1361 1363 1364 1365 CONECT 1363 1362 CONECT 1364 1362 CONECT 1365 1362 CONECT 1366 1361 CONECT 1367 1361 CONECT 1368 1354 CONECT 1369 1354 CONECT 1370 1353 CONECT 1371 1353 CONECT 1372 1322 CONECT 1373 1316 1320 1374 CONECT 1374 1373 CONECT 1375 1319 CONECT 1376 1318 1377 CONECT 1377 1376 1378 1379 1380 CONECT 1378 1377 CONECT 1379 1377 CONECT 1380 1377 CONECT 1381 1317 CONECT 1382 1315 1383 1384 1385 CONECT 1383 1382 CONECT 1384 1382 CONECT 1385 1382 MASTER 0 0 0 0 0 0 0 0 1384 1 75 9 END
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Related entries of code: 5j0d
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2l84
RCSB PDB
PDBbind
121aa, >2L84_1|Chain... at 96%
3p1d
RCSB PDB
PDBbind
119aa, >3P1D_1|Chains... at 98%
4tqn
RCSB PDB
PDBbind
119aa, >4TQN_1|Chain... at 98%
4yk0
RCSB PDB
PDBbind
114aa, >4YK0_1|Chains... at 100%
5dbm
RCSB PDB
PDBbind
118aa, >5DBM_1|Chains... at 98%
5eng
RCSB PDB
PDBbind
119aa, >5ENG_1|Chain... at 98%
5ep7
RCSB PDB
PDBbind
119aa, >5EP7_1|Chain... at 98%
5h85
RCSB PDB
PDBbind
119aa, >5H85_1|Chain... at 98%
5i83
RCSB PDB
PDBbind
118aa, >5I83_1|Chain... at 98%
5i86
RCSB PDB
PDBbind
118aa, >5I86_1|Chains... at 98%
5i89
RCSB PDB
PDBbind
118aa, >5I89_1|Chain... at 98%
5i8b
RCSB PDB
PDBbind
264aa, >5I8B_1|Chain... *
5i8g
RCSB PDB
PDBbind
264aa, >5I8G_1|Chain... at 100%
5ktu
RCSB PDB
PDBbind
118aa, >5KTU_1|Chains... at 98%
5ktw
RCSB PDB
PDBbind
114aa, >5KTW_1|Chains... at 97%
5ktx
RCSB PDB
PDBbind
114aa, >5KTX_1|Chain... at 97%
5lpj
RCSB PDB
PDBbind
119aa, >5LPJ_1|Chain... at 98%
5lpk
RCSB PDB
PDBbind
122aa, >5LPK_1|Chains... at 92%
5lpl
RCSB PDB
PDBbind
119aa, >5LPL_1|Chain... at 98%
5lpm
RCSB PDB
PDBbind
116aa, >5LPM_1|Chains... at 94%
5mme
RCSB PDB
PDBbind
119aa, >5MME_1|Chains... at 98%
5mmg
RCSB PDB
PDBbind
119aa, >5MMG_1|Chain... at 98%
5mpk
RCSB PDB
PDBbind
119aa, >5MPK_1|Chains... at 98%
5mpn
RCSB PDB
PDBbind
119aa, >5MPN_1|Chain... at 98%
5mpz
RCSB PDB
PDBbind
119aa, >5MPZ_1|Chain... at 98%
5mqe
RCSB PDB
PDBbind
119aa, >5MQE_1|Chains... at 98%
5nlk
RCSB PDB
PDBbind
119aa, >5NLK_1|Chain... at 98%
5nu3
RCSB PDB
PDBbind
119aa, >5NU3_1|Chain... at 98%
5nu5
RCSB PDB
PDBbind
116aa, >5NU5_1|Chains... at 94%
5tb6
RCSB PDB
PDBbind
119aa, >5TB6_1|Chain... at 98%
5w0e
RCSB PDB
PDBbind
148aa, >5W0E_1|Chain... at 100%
5w0f
RCSB PDB
PDBbind
148aa, >5W0F_1|Chain... at 100%
5w0i
RCSB PDB
PDBbind
148aa, >5W0I_1|Chain... at 100%
5w0l
RCSB PDB
PDBbind
148aa, >5W0L_1|Chains... at 100%
5w0q
RCSB PDB
PDBbind
148aa, >5W0Q_1|Chain... at 100%
6axq
RCSB PDB
PDBbind
114aa, >6AXQ_1|Chains... at 98%
6ay3
RCSB PDB
PDBbind
115aa, >6AY3_1|Chains... at 100%
6ay5
RCSB PDB
PDBbind
115aa, >6AY5_1|Chain... at 100%
6fqo
RCSB PDB
PDBbind
119aa, >6FQO_1|Chains... at 98%
6fqu
RCSB PDB
PDBbind
119aa, >6FQU_1|Chain... at 98%
6fr0
RCSB PDB
PDBbind
119aa, >6FR0_1|Chains... at 98%
6frf
RCSB PDB
PDBbind
119aa, >6FRF_1|Chains... at 98%
6alc
RCSB PDB
PDBbind
114aa, >6ALC_1|Chains... at 97%
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
5j0d
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
bromodomain of human CREB-binding protein (CREBBP)
Ligand Name
6F9
EC.Number
E.C.2.3.1.48
Resolution
1.05(Å)
Affinity (Kd/Ki/IC50)
Kd=134nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 8889-8912
Ligand Properties
Formula
C
2
7
H
3
6
N
3
O
5
Molecular Weight
482.592
Exact Mass
482.265
No. of atoms
71
No. of bonds
74
Polar Surface Area
81.54
LOGP Value
2.87 (
Computed with XLOGP3
)
3.81 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
Canonical SMILES
CCC(=O)N1CCOc2c(C1)cc(cc2C(=O)N[C@H]1CCC[N@H+](C1)C)c1cc(OC)cc(c1)OC
InChI String
InChI=1S/C27H35N3O5/c1-5-25(31)30-9-10-35-26-20(16-30)11-18(19-12-22(33-3)15-23(13-19)34-4)14-24(26)27(32)28-21-7-6-8-29(2)17-21/h11-15,21H,5-10,16-17H2,1-4H3,(H,28,32)/p+1/t21-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q92793
Entrez Gene ID
NCBI Entrez Gene ID:
1387
ASD
Information of known allosteric effects of PDB entries
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