Browse entries in the PDBbind-CN Database
HEADER 5NLK_COMPLEX COMPND 5NLK_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 115 LYS ILE PHE LYS PRO GLU GLU LEU ARG GLN ALA LEU MET SEQRES 2 A 115 PRO THR LEU GLU ALA LEU TYR ARG GLN ASP PRO GLU SER SEQRES 3 A 115 LEU PRO PHE ARG GLN PRO VAL ASP PRO GLN LEU LEU GLY SEQRES 4 A 115 ILE PRO ASP TYR PHE ASP ILE VAL LYS ASN PRO MET ASP SEQRES 5 A 115 LEU SER THR ILE LYS ARG LYS LEU ASP THR GLY GLN TYR SEQRES 6 A 115 GLN GLU PRO TRP GLN TYR VAL ASP ASP VAL TRP LEU MET SEQRES 7 A 115 PHE ASN ASN ALA TRP LEU TYR ASN ARG LYS THR SER ARG SEQRES 8 A 115 VAL TYR LYS PHE CYS SER LYS LEU ALA GLU VAL PHE GLU SEQRES 9 A 115 GLN GLU ILE ASP PRO VAL MET GLN SER LEU GLY HET UNN A 226 56 ATOM 1 N LYS A1083 -18.298 -11.131 10.321 1.00 66.41 N ATOM 2 CA LYS A1083 -18.850 -10.029 11.105 1.00 65.11 C ATOM 3 C LYS A1083 -17.985 -9.742 12.330 1.00 60.05 C ATOM 4 O LYS A1083 -17.694 -8.582 12.632 1.00 59.83 O ATOM 5 CB LYS A1083 -20.290 -10.339 11.534 1.00 66.42 C ATOM 6 CG LYS A1083 -20.929 -9.260 12.400 1.00 61.92 C ATOM 7 CD LYS A1083 -21.013 -7.938 11.659 1.00 62.45 C ATOM 8 CE LYS A1083 -21.632 -6.853 12.523 1.00 61.83 C ATOM 9 NZ LYS A1083 -20.755 -6.462 13.664 1.00 56.95 N ATOM 10 HZ1 LYS A1083 -20.581 -7.292 14.266 1.00 0.00 H ATOM 11 HZ2 LYS A1083 -19.850 -6.103 13.297 1.00 0.00 H ATOM 12 HZ3 LYS A1083 -21.224 -5.719 14.221 1.00 0.00 H ATOM 13 HN3 LYS A1083 -18.258 -11.987 10.910 1.00 0.00 H ATOM 14 HN2 LYS A1083 -17.340 -10.882 10.003 1.00 0.00 H ATOM 15 HN1 LYS A1083 -18.905 -11.305 9.495 1.00 0.00 H ATOM 16 N ILE A1084 -17.581 -10.801 13.033 1.00 54.28 N ATOM 17 CA ILE A1084 -16.701 -10.703 14.193 1.00 52.11 C ATOM 18 C ILE A1084 -15.379 -11.381 13.854 1.00 51.78 C ATOM 19 O ILE A1084 -15.363 -12.459 13.250 1.00 58.71 O ATOM 20 CB ILE A1084 -17.339 -11.336 15.448 1.00 52.29 C ATOM 21 H ILE A1084 -17.909 -11.743 12.740 1.00 0.00 H ATOM 22 N PHE A1085 -14.274 -10.752 14.247 1.00 43.57 N ATOM 23 CA PHE A1085 -12.936 -11.213 13.897 1.00 47.25 C ATOM 24 C PHE A1085 -12.175 -11.668 15.135 1.00 48.86 C ATOM 25 O PHE A1085 -12.305 -11.074 16.208 1.00 56.38 O ATOM 26 CB PHE A1085 -12.149 -10.108 13.188 1.00 45.17 C ATOM 27 CG PHE A1085 -12.745 -9.693 11.879 1.00 46.74 C ATOM 28 CD1 PHE A1085 -12.369 -10.323 10.704 1.00 50.94 C ATOM 29 CD2 PHE A1085 -13.691 -8.688 11.824 1.00 46.07 C ATOM 30 CE1 PHE A1085 -12.919 -9.947 9.496 1.00 51.30 C ATOM 31 CE2 PHE A1085 -14.250 -8.311 10.620 1.00 52.30 C ATOM 32 CZ PHE A1085 -13.859 -8.938 9.455 1.00 51.44 C ATOM 33 H PHE A1085 -14.369 -9.895 14.829 1.00 0.00 H ATOM 34 N LYS A1086 -11.390 -12.736 14.985 1.00 46.40 N ATOM 35 CA LYS A1086 -10.526 -13.026 16.123 1.00 47.50 C ATOM 36 C LYS A1086 -9.231 -12.223 16.017 1.00 49.57 C ATOM 37 O LYS A1086 -8.706 -12.036 14.914 1.00 48.00 O ATOM 38 CB LYS A1086 -10.205 -14.517 16.199 1.00 56.08 C ATOM 39 CG LYS A1086 -10.941 -15.240 17.317 1.00 68.04 C ATOM 40 CD LYS A1086 -10.879 -16.748 17.157 1.00 78.99 C ATOM 41 CE LYS A1086 -11.492 -17.449 18.360 1.00 86.89 C ATOM 42 NZ LYS A1086 -12.817 -16.870 18.722 1.00 89.96 N ATOM 43 HZ1 LYS A1086 -12.702 -15.863 18.954 1.00 0.00 H ATOM 44 HZ2 LYS A1086 -13.469 -16.970 17.918 1.00 0.00 H ATOM 45 HZ3 LYS A1086 -13.201 -17.375 19.546 1.00 0.00 H ATOM 46 H LYS A1086 -11.394 -13.317 14.123 1.00 0.00 H ATOM 47 N PRO A1087 -8.715 -11.730 17.145 1.00 49.45 N ATOM 48 CA PRO A1087 -7.519 -10.871 17.093 1.00 48.13 C ATOM 49 C PRO A1087 -6.344 -11.475 16.341 1.00 37.96 C ATOM 50 O PRO A1087 -5.685 -10.759 15.579 1.00 35.23 O ATOM 51 CB PRO A1087 -7.193 -10.654 18.576 1.00 53.63 C ATOM 52 CG PRO A1087 -8.510 -10.777 19.261 1.00 54.73 C ATOM 53 CD PRO A1087 -9.266 -11.830 18.507 1.00 51.00 C ATOM 54 N GLU A1088 -6.068 -12.773 16.515 1.00 34.27 N ATOM 55 CA GLU A1088 -4.874 -13.329 15.888 1.00 42.15 C ATOM 56 C GLU A1088 -5.059 -13.520 14.388 1.00 38.70 C ATOM 57 O GLU A1088 -4.128 -13.279 13.614 1.00 40.58 O ATOM 58 CB GLU A1088 -4.482 -14.648 16.550 1.00 51.26 C ATOM 59 CG GLU A1088 -3.104 -15.156 16.123 1.00 58.51 C ATOM 60 CD GLU A1088 -2.025 -14.076 16.163 1.00 63.71 C ATOM 61 OE1 GLU A1088 -1.677 -13.526 15.092 1.00 57.28 O ATOM 62 OE2 GLU A1088 -1.521 -13.777 17.269 1.00 67.72 O ATOM 63 H GLU A1088 -6.694 -13.375 17.087 1.00 0.00 H ATOM 64 N GLU A1089 -6.245 -13.942 13.953 1.00 38.21 N ATOM 65 CA GLU A1089 -6.493 -14.051 12.517 1.00 47.01 C ATOM 66 C GLU A1089 -6.488 -12.680 11.855 1.00 44.44 C ATOM 67 O GLU A1089 -5.974 -12.519 10.740 1.00 46.07 O ATOM 68 CB GLU A1089 -7.813 -14.777 12.276 1.00 61.79 C ATOM 69 CG GLU A1089 -7.818 -16.181 12.851 1.00 79.05 C ATOM 70 CD GLU A1089 -9.179 -16.603 13.367 1.00 93.39 C ATOM 71 OE1 GLU A1089 -10.194 -16.291 12.711 1.00 98.42 O ATOM 72 OE2 GLU A1089 -9.231 -17.243 14.439 1.00 98.21 O ATOM 73 H GLU A1089 -6.991 -14.193 14.632 1.00 0.00 H ATOM 74 N LEU A1090 -7.046 -11.677 12.532 1.00 39.80 N ATOM 75 CA LEU A1090 -6.983 -10.314 12.031 1.00 33.76 C ATOM 76 C LEU A1090 -5.538 -9.862 11.875 1.00 36.44 C ATOM 77 O LEU A1090 -5.157 -9.275 10.855 1.00 37.76 O ATOM 78 CB LEU A1090 -7.738 -9.398 12.988 1.00 44.90 C ATOM 79 CG LEU A1090 -8.223 -8.070 12.456 1.00 40.57 C ATOM 80 CD1 LEU A1090 -8.809 -8.269 11.071 1.00 43.34 C ATOM 81 CD2 LEU A1090 -9.267 -7.545 13.416 1.00 47.60 C ATOM 82 H LEU A1090 -7.533 -11.872 13.430 1.00 0.00 H ATOM 83 N ARG A1091 -4.722 -10.115 12.894 1.00 32.66 N ATOM 84 CA ARG A1091 -3.321 -9.737 12.818 1.00 33.94 C ATOM 85 C ARG A1091 -2.621 -10.444 11.665 1.00 28.69 C ATOM 86 O ARG A1091 -1.818 -9.837 10.951 1.00 33.94 O ATOM 87 CB ARG A1091 -2.642 -10.051 14.145 1.00 31.84 C ATOM 88 CG ARG A1091 -1.149 -9.944 14.115 1.00 39.76 C ATOM 89 CD ARG A1091 -0.584 -10.391 15.440 1.00 50.51 C ATOM 90 NE ARG A1091 0.863 -10.274 15.465 1.00 57.24 N ATOM 91 CZ ARG A1091 1.638 -10.879 16.354 1.00 65.16 C ATOM 92 NH1 ARG A1091 1.098 -11.651 17.288 1.00 70.63 N ATOM 93 NH2 ARG A1091 2.952 -10.715 16.305 1.00 63.32 N ATOM 94 HE ARG A1091 1.318 -9.680 14.743 1.00 0.00 H ATOM 95 HH12 ARG A1091 1.706 -12.126 17.986 1.00 0.00 H ATOM 96 HH11 ARG A1091 0.067 -11.781 17.323 1.00 0.00 H ATOM 97 HH22 ARG A1091 3.562 -11.189 17.002 1.00 0.00 H ATOM 98 HH21 ARG A1091 3.374 -10.112 15.570 1.00 0.00 H ATOM 99 H ARG A1091 -5.087 -10.584 13.747 1.00 0.00 H ATOM 100 N GLN A1092 -2.921 -11.729 11.448 1.00 30.03 N ATOM 101 CA GLN A1092 -2.227 -12.425 10.377 1.00 30.78 C ATOM 102 C GLN A1092 -2.673 -11.929 9.011 1.00 35.43 C ATOM 103 O GLN A1092 -1.868 -11.896 8.074 1.00 32.63 O ATOM 104 CB GLN A1092 -2.428 -13.937 10.505 1.00 38.75 C ATOM 105 CG GLN A1092 -1.854 -14.491 11.799 1.00 39.22 C ATOM 106 CD GLN A1092 -0.356 -14.253 11.924 1.00 46.32 C ATOM 107 OE1 GLN A1092 0.394 -14.416 10.958 1.00 49.22 O ATOM 108 NE2 GLN A1092 0.085 -13.861 13.112 1.00 44.19 N ATOM 109 HE22 GLN A1092 -0.583 -13.736 13.899 1.00 0.00 H ATOM 110 HE21 GLN A1092 1.099 -13.679 13.256 1.00 0.00 H ATOM 111 H GLN A1092 -3.632 -12.217 12.030 1.00 0.00 H ATOM 112 N ALA A1093 -3.939 -11.538 8.877 1.00 32.76 N ATOM 113 CA ALA A1093 -4.409 -11.011 7.602 1.00 37.23 C ATOM 114 C ALA A1093 -3.775 -9.660 7.303 1.00 33.77 C ATOM 115 O ALA A1093 -3.381 -9.393 6.161 1.00 33.81 O ATOM 116 CB ALA A1093 -5.932 -10.890 7.607 1.00 32.93 C ATOM 117 H ALA A1093 -4.593 -11.609 9.683 1.00 0.00 H ATOM 118 N LEU A1094 -3.660 -8.803 8.322 1.00 29.97 N ATOM 119 CA LEU A1094 -3.255 -7.416 8.136 1.00 26.81 C ATOM 120 C LEU A1094 -1.751 -7.207 8.221 1.00 31.20 C ATOM 121 O LEU A1094 -1.230 -6.291 7.578 1.00 32.22 O ATOM 122 CB LEU A1094 -3.940 -6.524 9.178 1.00 34.45 C ATOM 123 CG LEU A1094 -5.469 -6.601 9.171 1.00 37.97 C ATOM 124 CD1 LEU A1094 -6.053 -5.928 10.386 1.00 39.91 C ATOM 125 CD2 LEU A1094 -6.029 -6.020 7.895 1.00 37.40 C ATOM 126 H LEU A1094 -3.867 -9.139 9.284 1.00 0.00 H ATOM 127 N MET A1095 -1.043 -8.016 9.005 1.00 33.69 N ATOM 128 CA MET A1095 0.388 -7.786 9.200 1.00 38.71 C ATOM 129 C MET A1095 1.184 -7.722 7.899 1.00 32.22 C ATOM 130 O MET A1095 2.094 -6.880 7.817 1.00 35.33 O ATOM 131 CB MET A1095 0.982 -8.850 10.135 1.00 45.68 C ATOM 132 CG MET A1095 2.441 -8.587 10.506 1.00 52.74 C ATOM 133 SD MET A1095 2.660 -7.064 11.451 1.00 69.25 S ATOM 134 CE MET A1095 2.251 -7.645 13.093 1.00 71.06 C ATOM 135 H MET A1095 -1.509 -8.815 9.481 1.00 0.00 H ATOM 136 N PRO A1096 0.916 -8.536 6.871 1.00 32.20 N ATOM 137 CA PRO A1096 1.684 -8.388 5.625 1.00 29.87 C ATOM 138 C PRO A1096 1.527 -7.034 4.961 1.00 33.05 C ATOM 139 O PRO A1096 2.450 -6.598 4.261 1.00 34.43 O ATOM 140 CB PRO A1096 1.131 -9.516 4.739 1.00 36.06 C ATOM 141 CG PRO A1096 0.720 -10.552 5.702 1.00 38.35 C ATOM 142 CD PRO A1096 0.184 -9.821 6.892 1.00 32.67 C ATOM 143 N THR A1097 0.399 -6.344 5.155 1.00 29.82 N ATOM 144 CA THR A1097 0.256 -5.030 4.536 1.00 30.33 C ATOM 145 C THR A1097 1.112 -4.004 5.261 1.00 27.72 C ATOM 146 O THR A1097 1.677 -3.100 4.633 1.00 27.39 O ATOM 147 CB THR A1097 -1.209 -4.586 4.510 1.00 30.84 C ATOM 148 OG1 THR A1097 -1.687 -4.378 5.849 1.00 29.17 O ATOM 149 CG2 THR A1097 -2.076 -5.617 3.786 1.00 30.01 C ATOM 150 HG1 THR A1097 -1.612 -5.223 6.360 1.00 0.00 H ATOM 151 H THR A1097 -0.366 -6.738 5.739 1.00 0.00 H ATOM 152 N LEU A1098 1.226 -4.137 6.580 1.00 26.02 N ATOM 153 CA LEU A1098 2.131 -3.280 7.335 1.00 31.62 C ATOM 154 C LEU A1098 3.583 -3.574 6.993 1.00 31.18 C ATOM 155 O LEU A1098 4.391 -2.651 6.858 1.00 29.87 O ATOM 156 CB LEU A1098 1.899 -3.470 8.829 1.00 27.90 C ATOM 157 CG LEU A1098 2.624 -2.479 9.735 1.00 30.61 C ATOM 158 CD1 LEU A1098 2.151 -1.074 9.440 1.00 31.86 C ATOM 159 CD2 LEU A1098 2.351 -2.840 11.180 1.00 38.19 C ATOM 160 H LEU A1098 0.665 -4.858 7.076 1.00 0.00 H ATOM 161 N GLU A1099 3.939 -4.858 6.879 1.00 27.02 N ATOM 162 CA GLU A1099 5.297 -5.221 6.485 1.00 27.85 C ATOM 163 C GLU A1099 5.649 -4.667 5.109 1.00 30.80 C ATOM 164 O GLU A1099 6.804 -4.298 4.865 1.00 29.29 O ATOM 165 CB GLU A1099 5.454 -6.745 6.520 1.00 34.84 C ATOM 166 CG GLU A1099 5.264 -7.317 7.932 1.00 51.81 C ATOM 167 CD GLU A1099 5.312 -8.844 7.996 1.00 66.52 C ATOM 168 OE1 GLU A1099 5.987 -9.382 8.902 1.00 70.72 O ATOM 169 OE2 GLU A1099 4.672 -9.506 7.150 1.00 68.58 O ATOM 170 H GLU A1099 3.242 -5.605 7.073 1.00 0.00 H ATOM 171 N ALA A1100 4.674 -4.589 4.203 1.00 29.15 N ATOM 172 CA ALA A1100 4.949 -4.025 2.888 1.00 32.00 C ATOM 173 C ALA A1100 5.309 -2.546 2.982 1.00 30.33 C ATOM 174 O ALA A1100 6.081 -2.040 2.158 1.00 30.00 O ATOM 175 CB ALA A1100 3.745 -4.223 1.968 1.00 31.32 C ATOM 176 H ALA A1100 3.719 -4.930 4.434 1.00 0.00 H ATOM 177 N LEU A1101 4.756 -1.838 3.966 1.00 26.41 N ATOM 178 CA LEU A1101 5.168 -0.455 4.193 1.00 27.29 C ATOM 179 C LEU A1101 6.585 -0.397 4.756 1.00 29.93 C ATOM 180 O LEU A1101 7.431 0.347 4.248 1.00 29.75 O ATOM 181 CB LEU A1101 4.172 0.249 5.119 1.00 25.81 C ATOM 182 CG LEU A1101 2.751 0.273 4.566 1.00 26.10 C ATOM 183 CD1 LEU A1101 1.819 1.092 5.460 1.00 31.28 C ATOM 184 CD2 LEU A1101 2.742 0.811 3.143 1.00 34.17 C ATOM 185 H LEU A1101 4.030 -2.270 4.573 1.00 0.00 H ATOM 186 N TYR A1102 6.874 -1.205 5.785 1.00 24.36 N ATOM 187 CA TYR A1102 8.224 -1.233 6.345 1.00 24.65 C ATOM 188 C TYR A1102 9.262 -1.616 5.298 1.00 31.29 C ATOM 189 O TYR A1102 10.413 -1.171 5.375 1.00 33.94 O ATOM 190 CB TYR A1102 8.307 -2.221 7.514 1.00 29.14 C ATOM 191 CG TYR A1102 7.922 -1.694 8.879 1.00 28.01 C ATOM 192 CD1 TYR A1102 8.854 -1.049 9.685 1.00 30.01 C ATOM 193 CD2 TYR A1102 6.645 -1.898 9.389 1.00 30.45 C ATOM 194 CE1 TYR A1102 8.521 -0.594 10.948 1.00 31.04 C ATOM 195 CE2 TYR A1102 6.296 -1.434 10.652 1.00 30.35 C ATOM 196 CZ TYR A1102 7.243 -0.791 11.426 1.00 27.12 C ATOM 197 OH TYR A1102 6.906 -0.338 12.674 1.00 29.71 O ATOM 198 HH TYR A1102 7.693 0.095 13.090 1.00 0.00 H ATOM 199 H TYR A1102 6.134 -1.815 6.187 1.00 0.00 H ATOM 200 N ARG A1103 8.878 -2.457 4.327 1.00 31.52 N ATOM 201 CA ARG A1103 9.790 -2.883 3.273 1.00 29.16 C ATOM 202 C ARG A1103 10.206 -1.734 2.364 1.00 34.79 C ATOM 203 O ARG A1103 11.260 -1.814 1.722 1.00 31.77 O ATOM 204 CB ARG A1103 9.129 -3.989 2.450 1.00 36.46 C ATOM 205 CG ARG A1103 10.048 -4.705 1.485 1.00 53.21 C ATOM 206 CD ARG A1103 9.435 -6.023 1.031 1.00 57.40 C ATOM 207 NE ARG A1103 8.140 -5.838 0.383 1.00 57.44 N ATOM 208 CZ ARG A1103 6.994 -6.338 0.836 1.00 51.79 C ATOM 209 NH1 ARG A1103 6.974 -7.069 1.943 1.00 35.41 N ATOM 210 NH2 ARG A1103 5.867 -6.116 0.169 1.00 57.32 N ATOM 211 HE ARG A1103 8.112 -5.277 -0.492 1.00 0.00 H ATOM 212 HH12 ARG A1103 6.075 -7.458 2.293 1.00 0.00 H ATOM 213 HH11 ARG A1103 7.857 -7.253 2.461 1.00 0.00 H ATOM 214 HH22 ARG A1103 4.969 -6.506 0.521 1.00 0.00 H ATOM 215 HH21 ARG A1103 5.882 -5.552 -0.705 1.00 0.00 H ATOM 216 H ARG A1103 7.902 -2.816 4.326 1.00 0.00 H ATOM 217 N GLN A1104 9.396 -0.682 2.270 1.00 30.23 N ATOM 218 CA GLN A1104 9.761 0.450 1.431 1.00 34.44 C ATOM 219 C GLN A1104 10.910 1.193 2.088 1.00 34.70 C ATOM 220 O GLN A1104 10.758 1.764 3.172 1.00 32.40 O ATOM 221 CB GLN A1104 8.570 1.375 1.212 1.00 27.40 C ATOM 222 CG GLN A1104 7.358 0.676 0.621 1.00 32.80 C ATOM 223 CD GLN A1104 7.717 -0.250 -0.517 1.00 42.81 C ATOM 224 OE1 GLN A1104 8.262 0.182 -1.528 1.00 39.90 O ATOM 225 NE2 GLN A1104 7.419 -1.540 -0.354 1.00 39.81 N ATOM 226 HE22 GLN A1104 6.957 -1.860 0.521 1.00 0.00 H ATOM 227 HE21 GLN A1104 7.649 -2.225 -1.102 1.00 0.00 H ATOM 228 H GLN A1104 8.500 -0.669 2.798 1.00 0.00 H ATOM 229 N ASP A1105 12.054 1.166 1.445 1.00 35.34 N ATOM 230 CA ASP A1105 13.264 1.762 1.980 1.00 37.99 C ATOM 231 C ASP A1105 13.881 2.561 0.840 1.00 37.67 C ATOM 232 O ASP A1105 14.210 1.988 -0.209 1.00 35.34 O ATOM 233 CB ASP A1105 14.214 0.671 2.483 1.00 40.62 C ATOM 234 CG ASP A1105 15.218 1.176 3.498 1.00 49.85 C ATOM 235 OD1 ASP A1105 15.535 2.382 3.494 1.00 43.35 O ATOM 236 OD2 ASP A1105 15.704 0.354 4.302 1.00 52.34 O ATOM 237 H ASP A1105 12.095 0.700 0.516 1.00 0.00 H ATOM 238 N PRO A1106 14.076 3.878 0.997 1.00 32.98 N ATOM 239 CA PRO A1106 13.966 4.711 2.204 1.00 33.55 C ATOM 240 C PRO A1106 12.584 5.272 2.547 1.00 30.34 C ATOM 241 O PRO A1106 12.462 6.003 3.542 1.00 27.35 O ATOM 242 CB PRO A1106 14.912 5.868 1.887 1.00 36.27 C ATOM 243 CG PRO A1106 14.759 6.034 0.413 1.00 34.52 C ATOM 244 CD PRO A1106 14.672 4.622 -0.126 1.00 31.59 C ATOM 245 N GLU A1107 11.564 4.973 1.740 1.00 26.73 N ATOM 246 CA GLU A1107 10.307 5.704 1.872 1.00 26.73 C ATOM 247 C GLU A1107 9.673 5.551 3.251 1.00 24.88 C ATOM 248 O GLU A1107 8.990 6.474 3.717 1.00 25.77 O ATOM 249 CB GLU A1107 9.328 5.269 0.788 1.00 36.30 C ATOM 250 CG GLU A1107 9.670 5.832 -0.588 1.00 38.70 C ATOM 251 CD GLU A1107 10.671 4.973 -1.343 1.00 41.03 C ATOM 252 OE1 GLU A1107 11.081 5.386 -2.447 1.00 43.04 O ATOM 253 OE2 GLU A1107 11.037 3.889 -0.840 1.00 39.91 O ATOM 254 H GLU A1107 11.664 4.226 1.023 1.00 0.00 H ATOM 255 N SER A1108 9.863 4.403 3.923 1.00 24.78 N ATOM 256 CA SER A1108 9.228 4.264 5.229 1.00 24.94 C ATOM 257 C SER A1108 10.036 4.878 6.365 1.00 27.62 C ATOM 258 O SER A1108 9.522 4.960 7.485 1.00 25.39 O ATOM 259 CB SER A1108 8.958 2.786 5.555 1.00 25.97 C ATOM 260 OG SER A1108 10.163 2.090 5.838 1.00 31.16 O ATOM 261 HG SER A1108 10.761 2.135 5.050 1.00 0.00 H ATOM 262 H SER A1108 10.444 3.638 3.525 1.00 0.00 H ATOM 263 N LEU A1109 11.264 5.326 6.107 1.00 26.46 N ATOM 264 CA LEU A1109 12.120 5.787 7.199 1.00 24.75 C ATOM 265 C LEU A1109 11.542 6.954 7.995 1.00 29.37 C ATOM 266 O LEU A1109 11.686 6.947 9.230 1.00 29.25 O ATOM 267 CB LEU A1109 13.510 6.142 6.655 1.00 25.78 C ATOM 268 CG LEU A1109 14.294 4.948 6.100 1.00 30.99 C ATOM 269 CD1 LEU A1109 15.684 5.373 5.652 1.00 35.88 C ATOM 270 CD2 LEU A1109 14.380 3.870 7.158 1.00 31.91 C ATOM 271 H LEU A1109 11.614 5.348 5.128 1.00 0.00 H ATOM 272 N PRO A1110 10.917 7.973 7.393 1.00 29.30 N ATOM 273 CA PRO A1110 10.300 9.028 8.216 1.00 27.15 C ATOM 274 C PRO A1110 9.127 8.550 9.049 1.00 29.26 C ATOM 275 O PRO A1110 8.634 9.330 9.872 1.00 28.04 O ATOM 276 CB PRO A1110 9.841 10.067 7.178 1.00 26.93 C ATOM 277 CG PRO A1110 10.690 9.799 5.954 1.00 26.56 C ATOM 278 CD PRO A1110 10.846 8.299 5.957 1.00 27.44 C ATOM 279 N PHE A1111 8.665 7.309 8.857 1.00 23.79 N ATOM 280 CA PHE A1111 7.416 6.819 9.421 1.00 22.62 C ATOM 281 C PHE A1111 7.593 5.682 10.410 1.00 21.85 C ATOM 282 O PHE A1111 6.599 5.251 11.007 1.00 24.53 O ATOM 283 CB PHE A1111 6.475 6.361 8.299 1.00 21.80 C ATOM 284 CG PHE A1111 6.174 7.445 7.317 1.00 23.91 C ATOM 285 CD1 PHE A1111 5.214 8.395 7.603 1.00 26.28 C ATOM 286 CD2 PHE A1111 6.897 7.550 6.136 1.00 28.43 C ATOM 287 CE1 PHE A1111 4.954 9.417 6.709 1.00 30.32 C ATOM 288 CE2 PHE A1111 6.643 8.575 5.235 1.00 29.98 C ATOM 289 CZ PHE A1111 5.667 9.497 5.521 1.00 30.80 C ATOM 290 H PHE A1111 9.229 6.659 8.273 1.00 0.00 H ATOM 291 N ARG A1112 8.827 5.235 10.642 1.00 24.20 N ATOM 292 CA ARG A1112 9.090 4.065 11.469 1.00 26.49 C ATOM 293 C ARG A1112 9.067 4.358 12.962 1.00 28.87 C ATOM 294 O ARG A1112 9.083 3.416 13.765 1.00 30.77 O ATOM 295 CB ARG A1112 10.444 3.466 11.102 1.00 24.57 C ATOM 296 CG ARG A1112 10.440 2.804 9.747 1.00 28.85 C ATOM 297 CD ARG A1112 11.771 2.163 9.459 1.00 32.36 C ATOM 298 NE ARG A1112 11.737 1.410 8.215 1.00 29.34 N ATOM 299 CZ ARG A1112 12.702 0.586 7.816 1.00 30.69 C ATOM 300 NH1 ARG A1112 13.779 0.406 8.570 1.00 32.40 N ATOM 301 NH2 ARG A1112 12.584 -0.059 6.665 1.00 30.93 N ATOM 302 HE ARG A1112 10.907 1.523 7.599 1.00 0.00 H ATOM 303 HH12 ARG A1112 14.532 -0.239 8.256 1.00 0.00 H ATOM 304 HH11 ARG A1112 13.870 0.910 9.475 1.00 0.00 H ATOM 305 HH22 ARG A1112 13.337 -0.704 6.351 1.00 0.00 H ATOM 306 HH21 ARG A1112 11.738 0.079 6.076 1.00 0.00 H ATOM 307 H ARG A1112 9.631 5.740 10.217 1.00 0.00 H ATOM 308 N GLN A1113 9.036 5.621 13.347 1.00 26.16 N ATOM 309 CA GLN A1113 9.026 6.040 14.736 1.00 26.21 C ATOM 310 C GLN A1113 8.158 7.285 14.823 1.00 29.34 C ATOM 311 O GLN A1113 7.972 7.975 13.817 1.00 26.54 O ATOM 312 CB GLN A1113 10.448 6.329 15.251 1.00 26.87 C ATOM 313 CG GLN A1113 11.252 7.369 14.458 1.00 31.26 C ATOM 314 CD GLN A1113 11.651 6.901 13.062 1.00 33.61 C ATOM 315 OE1 GLN A1113 12.173 5.792 12.883 1.00 36.72 O ATOM 316 NE2 GLN A1113 11.383 7.733 12.062 1.00 26.84 N ATOM 317 HE22 GLN A1113 10.944 8.655 12.257 1.00 0.00 H ATOM 318 HE21 GLN A1113 11.612 7.462 11.084 1.00 0.00 H ATOM 319 H GLN A1113 9.018 6.357 12.613 1.00 0.00 H ATOM 320 N PRO A1114 7.591 7.578 15.994 1.00 29.08 N ATOM 321 CA PRO A1114 6.797 8.806 16.125 1.00 25.15 C ATOM 322 C PRO A1114 7.618 10.025 15.748 1.00 28.69 C ATOM 323 O PRO A1114 8.825 10.080 15.983 1.00 31.17 O ATOM 324 CB PRO A1114 6.412 8.821 17.611 1.00 30.49 C ATOM 325 CG PRO A1114 6.461 7.367 18.014 1.00 29.88 C ATOM 326 CD PRO A1114 7.634 6.820 17.253 1.00 27.63 C ATOM 327 N VAL A1115 6.949 11.004 15.131 1.00 28.28 N ATOM 328 CA VAL A1115 7.599 12.270 14.826 1.00 24.28 C ATOM 329 C VAL A1115 8.155 12.872 16.108 1.00 27.36 C ATOM 330 O VAL A1115 7.448 12.978 17.116 1.00 32.28 O ATOM 331 CB VAL A1115 6.604 13.234 14.165 1.00 27.61 C ATOM 332 CG1 VAL A1115 7.253 14.607 13.963 1.00 29.00 C ATOM 333 CG2 VAL A1115 6.100 12.663 12.845 1.00 26.11 C ATOM 334 H VAL A1115 5.954 10.860 14.866 1.00 0.00 H ATOM 335 N ASP A1116 9.430 13.266 16.075 1.00 27.66 N ATOM 336 CA ASP A1116 10.078 13.973 17.179 1.00 33.11 C ATOM 337 C ASP A1116 10.410 15.387 16.723 1.00 33.92 C ATOM 338 O ASP A1116 11.471 15.618 16.120 1.00 30.73 O ATOM 339 CB ASP A1116 11.337 13.233 17.637 1.00 36.83 C ATOM 340 CG ASP A1116 11.996 13.877 18.855 1.00 45.45 C ATOM 341 OD1 ASP A1116 11.621 15.005 19.245 1.00 44.88 O ATOM 342 OD2 ASP A1116 12.904 13.242 19.425 1.00 47.41 O ATOM 343 H ASP A1116 9.990 13.060 15.223 1.00 0.00 H ATOM 344 N PRO A1117 9.532 16.365 16.979 1.00 31.49 N ATOM 345 CA PRO A1117 9.762 17.727 16.464 1.00 32.23 C ATOM 346 C PRO A1117 11.040 18.359 16.972 1.00 33.43 C ATOM 347 O PRO A1117 11.675 19.127 16.240 1.00 38.61 O ATOM 348 CB PRO A1117 8.525 18.496 16.952 1.00 34.47 C ATOM 349 CG PRO A1117 7.485 17.441 17.157 1.00 36.36 C ATOM 350 CD PRO A1117 8.228 16.235 17.647 1.00 34.96 C ATOM 351 N GLN A1118 11.426 18.063 18.213 1.00 33.92 N ATOM 352 CA GLN A1118 12.692 18.554 18.745 1.00 39.26 C ATOM 353 C GLN A1118 13.869 18.036 17.924 1.00 40.00 C ATOM 354 O GLN A1118 14.711 18.815 17.461 1.00 39.68 O ATOM 355 CB GLN A1118 12.822 18.140 20.211 1.00 45.56 C ATOM 356 CG GLN A1118 12.968 19.300 21.174 1.00 65.46 C ATOM 357 CD GLN A1118 14.330 19.959 21.084 1.00 83.44 C ATOM 358 OE1 GLN A1118 15.346 19.287 20.891 1.00 88.65 O ATOM 359 NE2 GLN A1118 14.359 21.281 21.217 1.00 90.02 N ATOM 360 HE22 GLN A1118 13.476 21.807 21.379 1.00 0.00 H ATOM 361 HE21 GLN A1118 15.264 21.790 21.159 1.00 0.00 H ATOM 362 H GLN A1118 10.814 17.472 18.812 1.00 0.00 H ATOM 363 N LEU A1119 13.935 16.719 17.720 1.00 37.02 N ATOM 364 CA LEU A1119 15.054 16.147 16.979 1.00 36.59 C ATOM 365 C LEU A1119 15.060 16.602 15.526 1.00 37.33 C ATOM 366 O LEU A1119 16.127 16.822 14.943 1.00 38.61 O ATOM 367 CB LEU A1119 15.004 14.623 17.049 1.00 35.43 C ATOM 368 CG LEU A1119 16.054 13.902 16.205 1.00 48.49 C ATOM 369 CD1 LEU A1119 17.441 14.084 16.801 1.00 51.56 C ATOM 370 CD2 LEU A1119 15.706 12.423 16.063 1.00 47.22 C ATOM 371 H LEU A1119 13.187 16.099 18.090 1.00 0.00 H ATOM 372 N LEU A1120 13.887 16.734 14.917 1.00 33.31 N ATOM 373 CA LEU A1120 13.809 17.008 13.488 1.00 31.74 C ATOM 374 C LEU A1120 13.830 18.494 13.158 1.00 37.27 C ATOM 375 O LEU A1120 13.919 18.849 11.975 1.00 38.95 O ATOM 376 CB LEU A1120 12.546 16.359 12.906 1.00 27.73 C ATOM 377 CG LEU A1120 12.504 14.833 12.970 1.00 33.39 C ATOM 378 CD1 LEU A1120 11.102 14.343 12.698 1.00 30.19 C ATOM 379 CD2 LEU A1120 13.480 14.245 11.964 1.00 35.97 C ATOM 380 H LEU A1120 13.010 16.640 15.469 1.00 0.00 H ATOM 381 N GLY A1121 13.773 19.366 14.162 1.00 35.51 N ATOM 382 CA GLY A1121 13.798 20.794 13.905 1.00 39.23 C ATOM 383 C GLY A1121 12.503 21.337 13.350 1.00 37.33 C ATOM 384 O GLY A1121 12.520 22.288 12.561 1.00 34.45 O ATOM 385 H GLY A1121 13.710 19.020 15.141 1.00 0.00 H ATOM 386 N ILE A1122 11.375 20.758 13.742 1.00 38.92 N ATOM 387 CA ILE A1122 10.074 21.190 13.243 1.00 34.18 C ATOM 388 C ILE A1122 9.160 21.474 14.432 1.00 32.75 C ATOM 389 O ILE A1122 8.189 20.743 14.665 1.00 31.31 O ATOM 390 CB ILE A1122 9.481 20.145 12.286 1.00 31.16 C ATOM 391 CG1 ILE A1122 9.504 18.744 12.906 1.00 27.69 C ATOM 392 CG2 ILE A1122 10.257 20.132 10.968 1.00 32.54 C ATOM 393 CD1 ILE A1122 8.775 17.719 12.078 1.00 30.74 C ATOM 394 H ILE A1122 11.420 19.974 14.424 1.00 0.00 H ATOM 395 N PRO A1123 9.405 22.546 15.191 1.00 35.23 N ATOM 396 CA PRO A1123 8.651 22.751 16.439 1.00 40.77 C ATOM 397 C PRO A1123 7.171 23.071 16.240 1.00 42.25 C ATOM 398 O PRO A1123 6.417 23.014 17.224 1.00 38.58 O ATOM 399 CB PRO A1123 9.390 23.921 17.108 1.00 42.78 C ATOM 400 CG PRO A1123 10.031 24.663 15.972 1.00 39.73 C ATOM 401 CD PRO A1123 10.394 23.613 14.948 1.00 38.81 C ATOM 402 N ASP A1124 6.723 23.398 15.024 1.00 34.94 N ATOM 403 CA ASP A1124 5.307 23.666 14.792 1.00 29.94 C ATOM 404 C ASP A1124 4.495 22.404 14.505 1.00 33.82 C ATOM 405 O ASP A1124 3.283 22.505 14.268 1.00 30.30 O ATOM 406 CB ASP A1124 5.130 24.672 13.645 1.00 35.60 C ATOM 407 CG ASP A1124 5.620 24.138 12.299 1.00 40.85 C ATOM 408 OD1 ASP A1124 6.431 23.194 12.279 1.00 36.41 O ATOM 409 OD2 ASP A1124 5.190 24.678 11.253 1.00 44.85 O ATOM 410 H ASP A1124 7.393 23.462 14.231 1.00 0.00 H ATOM 411 N TYR A1125 5.120 21.225 14.556 1.00 28.98 N ATOM 412 CA TYR A1125 4.428 19.999 14.162 1.00 25.25 C ATOM 413 C TYR A1125 3.092 19.845 14.875 1.00 26.07 C ATOM 414 O TYR A1125 2.058 19.602 14.245 1.00 24.69 O ATOM 415 CB TYR A1125 5.302 18.771 14.438 1.00 26.15 C ATOM 416 CG TYR A1125 4.657 17.539 13.875 1.00 26.72 C ATOM 417 CD1 TYR A1125 4.659 17.306 12.501 1.00 29.28 C ATOM 418 CD2 TYR A1125 4.024 16.615 14.694 1.00 26.37 C ATOM 419 CE1 TYR A1125 4.061 16.190 11.971 1.00 22.85 C ATOM 420 CE2 TYR A1125 3.413 15.499 14.168 1.00 29.61 C ATOM 421 CZ TYR A1125 3.436 15.286 12.810 1.00 29.20 C ATOM 422 OH TYR A1125 2.820 14.165 12.288 1.00 23.82 O ATOM 423 HH TYR A1125 2.926 14.160 11.304 1.00 0.00 H ATOM 424 H TYR A1125 6.108 21.179 14.879 1.00 0.00 H ATOM 425 N PHE A1126 3.093 19.962 16.195 1.00 26.16 N ATOM 426 CA PHE A1126 1.849 19.764 16.916 1.00 25.95 C ATOM 427 C PHE A1126 0.968 21.008 16.955 1.00 30.27 C ATOM 428 O PHE A1126 -0.088 20.976 17.594 1.00 30.50 O ATOM 429 CB PHE A1126 2.152 19.263 18.320 1.00 27.76 C ATOM 430 CG PHE A1126 2.670 17.867 18.331 1.00 27.30 C ATOM 431 CD1 PHE A1126 1.862 16.832 17.910 1.00 29.47 C ATOM 432 CD2 PHE A1126 3.965 17.591 18.733 1.00 25.50 C ATOM 433 CE1 PHE A1126 2.330 15.527 17.899 1.00 30.44 C ATOM 434 CE2 PHE A1126 4.433 16.284 18.730 1.00 29.10 C ATOM 435 CZ PHE A1126 3.615 15.263 18.311 1.00 30.18 C ATOM 436 H PHE A1126 3.970 20.192 16.705 1.00 0.00 H ATOM 437 N ASP A1127 1.357 22.089 16.282 1.00 30.11 N ATOM 438 CA ASP A1127 0.394 23.144 15.984 1.00 32.16 C ATOM 439 C ASP A1127 -0.498 22.779 14.805 1.00 29.74 C ATOM 440 O ASP A1127 -1.496 23.462 14.554 1.00 32.83 O ATOM 441 CB ASP A1127 1.106 24.467 15.676 1.00 31.81 C ATOM 442 CG ASP A1127 1.964 24.956 16.820 1.00 46.88 C ATOM 443 OD1 ASP A1127 1.687 24.574 17.974 1.00 51.69 O ATOM 444 OD2 ASP A1127 2.906 25.744 16.557 1.00 52.78 O ATOM 445 H ASP A1127 2.345 22.181 15.970 1.00 0.00 H ATOM 446 N ILE A1128 -0.164 21.708 14.088 1.00 26.81 N ATOM 447 CA ILE A1128 -0.794 21.378 12.823 1.00 31.60 C ATOM 448 C ILE A1128 -1.416 19.993 12.854 1.00 31.47 C ATOM 449 O ILE A1128 -2.538 19.795 12.371 1.00 28.57 O ATOM 450 CB ILE A1128 0.232 21.486 11.675 1.00 34.91 C ATOM 451 CG1 ILE A1128 0.590 22.959 11.453 1.00 29.91 C ATOM 452 CG2 ILE A1128 -0.279 20.797 10.407 1.00 30.21 C ATOM 453 CD1 ILE A1128 1.895 23.167 10.726 1.00 33.69 C ATOM 454 H ILE A1128 0.581 21.080 14.451 1.00 0.00 H ATOM 455 N VAL A1129 -0.709 19.032 13.430 1.00 28.42 N ATOM 456 CA VAL A1129 -1.131 17.643 13.481 1.00 25.74 C ATOM 457 C VAL A1129 -1.778 17.400 14.835 1.00 28.25 C ATOM 458 O VAL A1129 -1.123 17.527 15.875 1.00 29.82 O ATOM 459 CB VAL A1129 0.058 16.696 13.257 1.00 22.36 C ATOM 460 CG1 VAL A1129 -0.318 15.272 13.632 1.00 26.99 C ATOM 461 CG2 VAL A1129 0.528 16.784 11.805 1.00 24.62 C ATOM 462 H VAL A1129 0.198 19.286 13.870 1.00 0.00 H ATOM 463 N LYS A1130 -3.057 17.029 14.820 1.00 26.36 N ATOM 464 CA LYS A1130 -3.792 16.833 16.066 1.00 27.51 C ATOM 465 C LYS A1130 -3.466 15.493 16.714 1.00 28.30 C ATOM 466 O LYS A1130 -3.177 15.426 17.915 1.00 28.87 O ATOM 467 CB LYS A1130 -5.296 16.939 15.805 1.00 28.84 C ATOM 468 CG LYS A1130 -6.128 16.930 17.083 1.00 30.40 C ATOM 469 CD LYS A1130 -7.581 16.620 16.782 1.00 44.05 C ATOM 470 CE LYS A1130 -8.389 16.455 18.058 1.00 55.05 C ATOM 471 NZ LYS A1130 -9.758 15.963 17.755 1.00 61.46 N ATOM 472 HZ1 LYS A1130 -10.241 16.646 17.137 1.00 0.00 H ATOM 473 HZ2 LYS A1130 -9.696 15.042 17.275 1.00 0.00 H ATOM 474 HZ3 LYS A1130 -10.291 15.858 18.642 1.00 0.00 H ATOM 475 H LYS A1130 -3.538 16.877 13.910 1.00 0.00 H ATOM 476 N ASN A1131 -3.513 14.416 15.934 1.00 24.54 N ATOM 477 CA ASN A1131 -3.398 13.048 16.446 1.00 27.65 C ATOM 478 C ASN A1131 -2.241 12.329 15.769 1.00 25.86 C ATOM 479 O ASN A1131 -2.394 11.831 14.642 1.00 26.84 O ATOM 480 CB ASN A1131 -4.699 12.286 16.211 1.00 28.68 C ATOM 481 CG ASN A1131 -5.877 12.932 16.906 1.00 33.37 C ATOM 482 OD1 ASN A1131 -6.828 13.365 16.269 1.00 35.68 O ATOM 483 ND2 ASN A1131 -5.805 13.015 18.221 1.00 27.37 N ATOM 484 HD22 ASN A1131 -4.977 12.633 18.722 1.00 0.00 H ATOM 485 HD21 ASN A1131 -6.576 13.462 18.757 1.00 0.00 H ATOM 486 H ASN A1131 -3.638 14.552 14.910 1.00 0.00 H ATOM 487 N PRO A1132 -1.078 12.238 16.399 1.00 24.28 N ATOM 488 CA PRO A1132 0.065 11.616 15.731 1.00 24.13 C ATOM 489 C PRO A1132 -0.130 10.120 15.568 1.00 28.04 C ATOM 490 O PRO A1132 -0.820 9.467 16.354 1.00 26.18 O ATOM 491 CB PRO A1132 1.236 11.920 16.672 1.00 32.41 C ATOM 492 CG PRO A1132 0.592 12.100 18.011 1.00 33.12 C ATOM 493 CD PRO A1132 -0.730 12.749 17.737 1.00 27.64 C ATOM 494 N MET A1133 0.499 9.583 14.528 1.00 22.38 N ATOM 495 CA MET A1133 0.451 8.158 14.246 1.00 23.53 C ATOM 496 C MET A1133 1.685 7.812 13.423 1.00 27.43 C ATOM 497 O MET A1133 2.165 8.626 12.632 1.00 26.67 O ATOM 498 CB MET A1133 -0.846 7.796 13.512 1.00 25.02 C ATOM 499 CG MET A1133 -1.075 6.296 13.310 1.00 23.98 C ATOM 500 SD MET A1133 -0.947 5.377 14.858 1.00 27.75 S ATOM 501 CE MET A1133 -2.349 6.008 15.776 1.00 34.86 C ATOM 502 H MET A1133 1.044 10.203 13.895 1.00 0.00 H ATOM 503 N ASP A1134 2.222 6.620 13.646 1.00 22.89 N ATOM 504 CA ASP A1134 3.383 6.169 12.898 1.00 23.33 C ATOM 505 C ASP A1134 3.348 4.648 12.845 1.00 24.79 C ATOM 506 O ASP A1134 2.530 4.009 13.505 1.00 25.51 O ATOM 507 CB ASP A1134 4.677 6.650 13.544 1.00 22.19 C ATOM 508 CG ASP A1134 4.964 5.906 14.831 1.00 30.58 C ATOM 509 OD1 ASP A1134 4.224 6.127 15.808 1.00 29.36 O ATOM 510 OD2 ASP A1134 5.879 5.052 14.833 1.00 32.50 O ATOM 511 H ASP A1134 1.805 5.998 14.368 1.00 0.00 H ATOM 512 N LEU A1135 4.258 4.074 12.050 1.00 22.28 N ATOM 513 CA LEU A1135 4.259 2.631 11.838 1.00 25.98 C ATOM 514 C LEU A1135 4.492 1.865 13.137 1.00 29.90 C ATOM 515 O LEU A1135 3.918 0.788 13.338 1.00 26.92 O ATOM 516 CB LEU A1135 5.327 2.249 10.815 1.00 24.24 C ATOM 517 CG LEU A1135 5.145 2.728 9.377 1.00 23.76 C ATOM 518 CD1 LEU A1135 6.413 2.435 8.577 1.00 27.07 C ATOM 519 CD2 LEU A1135 3.938 2.067 8.717 1.00 25.89 C ATOM 520 H LEU A1135 4.973 4.663 11.578 1.00 0.00 H ATOM 521 N SER A1136 5.349 2.382 14.023 1.00 28.23 N ATOM 522 CA SER A1136 5.648 1.622 15.235 1.00 28.58 C ATOM 523 C SER A1136 4.436 1.561 16.155 1.00 29.21 C ATOM 524 O SER A1136 4.222 0.554 16.841 1.00 27.97 O ATOM 525 CB SER A1136 6.852 2.225 15.959 1.00 27.97 C ATOM 526 OG SER A1136 6.493 3.425 16.619 1.00 29.45 O ATOM 527 HG SER A1136 6.159 4.079 15.955 1.00 0.00 H ATOM 528 H SER A1136 5.794 3.307 13.853 1.00 0.00 H ATOM 529 N THR A1137 3.616 2.611 16.154 1.00 26.33 N ATOM 530 CA THR A1137 2.405 2.606 16.967 1.00 25.91 C ATOM 531 C THR A1137 1.371 1.650 16.395 1.00 26.52 C ATOM 532 O THR A1137 0.715 0.906 17.138 1.00 29.98 O ATOM 533 CB THR A1137 1.850 4.029 17.054 1.00 27.30 C ATOM 534 OG1 THR A1137 2.813 4.853 17.716 1.00 28.42 O ATOM 535 CG2 THR A1137 0.541 4.055 17.825 1.00 29.68 C ATOM 536 HG1 THR A1137 3.658 4.851 17.200 1.00 0.00 H ATOM 537 H THR A1137 3.841 3.441 15.569 1.00 0.00 H ATOM 538 N ILE A1138 1.227 1.649 15.068 1.00 25.45 N ATOM 539 CA ILE A1138 0.317 0.730 14.404 1.00 24.58 C ATOM 540 C ILE A1138 0.747 -0.707 14.651 1.00 27.18 C ATOM 541 O ILE A1138 -0.086 -1.587 14.917 1.00 27.08 O ATOM 542 CB ILE A1138 0.257 1.053 12.895 1.00 25.28 C ATOM 543 CG1 ILE A1138 -0.324 2.456 12.666 1.00 27.88 C ATOM 544 CG2 ILE A1138 -0.526 -0.033 12.144 1.00 21.47 C ATOM 545 CD1 ILE A1138 -0.256 2.941 11.227 1.00 23.93 C ATOM 546 H ILE A1138 1.778 2.321 14.496 1.00 0.00 H ATOM 547 N LYS A1139 2.053 -0.977 14.572 1.00 24.21 N ATOM 548 CA LYS A1139 2.523 -2.346 14.790 1.00 28.06 C ATOM 549 C LYS A1139 2.207 -2.816 16.206 1.00 30.53 C ATOM 550 O LYS A1139 1.780 -3.958 16.413 1.00 31.03 O ATOM 551 CB LYS A1139 4.023 -2.434 14.513 1.00 29.14 C ATOM 552 CG LYS A1139 4.631 -3.821 14.724 1.00 31.99 C ATOM 553 CD LYS A1139 6.148 -3.771 14.590 1.00 35.16 C ATOM 554 CE LYS A1139 6.734 -5.168 14.492 1.00 43.45 C ATOM 555 NZ LYS A1139 6.352 -5.979 15.666 1.00 45.07 N ATOM 556 HZ1 LYS A1139 6.709 -5.524 16.531 1.00 0.00 H ATOM 557 HZ2 LYS A1139 5.316 -6.052 15.713 1.00 0.00 H ATOM 558 HZ3 LYS A1139 6.764 -6.930 15.578 1.00 0.00 H ATOM 559 H LYS A1139 2.732 -0.219 14.357 1.00 0.00 H ATOM 560 N ARG A1140 2.395 -1.946 17.194 1.00 28.56 N ATOM 561 CA ARG A1140 2.094 -2.337 18.568 1.00 29.57 C ATOM 562 C ARG A1140 0.606 -2.576 18.762 1.00 28.23 C ATOM 563 O ARG A1140 0.212 -3.521 19.452 1.00 29.78 O ATOM 564 CB ARG A1140 2.588 -1.278 19.550 1.00 30.08 C ATOM 565 CG ARG A1140 2.067 -1.532 20.972 1.00 34.68 C ATOM 566 CD ARG A1140 2.863 -0.799 22.022 1.00 37.83 C ATOM 567 NE ARG A1140 2.188 -0.846 23.315 1.00 37.10 N ATOM 568 CZ ARG A1140 2.266 -1.870 24.154 1.00 34.00 C ATOM 569 NH1 ARG A1140 2.992 -2.932 23.830 1.00 30.49 N ATOM 570 NH2 ARG A1140 1.615 -1.835 25.313 1.00 31.63 N ATOM 571 HE ARG A1140 1.611 -0.027 23.595 1.00 0.00 H ATOM 572 HH12 ARG A1140 3.056 -3.737 24.485 1.00 0.00 H ATOM 573 HH11 ARG A1140 3.497 -2.959 22.921 1.00 0.00 H ATOM 574 HH22 ARG A1140 1.678 -2.639 25.969 1.00 0.00 H ATOM 575 HH21 ARG A1140 1.043 -1.003 25.563 1.00 0.00 H ATOM 576 H ARG A1140 2.755 -0.992 16.989 1.00 0.00 H ATOM 577 N LYS A1141 -0.241 -1.728 18.168 1.00 31.21 N ATOM 578 CA LYS A1141 -1.680 -1.945 18.273 1.00 30.49 C ATOM 579 C LYS A1141 -2.080 -3.266 17.618 1.00 32.58 C ATOM 580 O LYS A1141 -2.944 -3.990 18.128 1.00 30.01 O ATOM 581 CB LYS A1141 -2.436 -0.756 17.671 1.00 26.71 C ATOM 582 CG LYS A1141 -2.292 0.523 18.487 1.00 27.99 C ATOM 583 CD LYS A1141 -3.009 1.726 17.873 1.00 27.01 C ATOM 584 CE LYS A1141 -4.530 1.607 17.956 1.00 31.02 C ATOM 585 NZ LYS A1141 -5.191 2.934 17.683 1.00 32.44 N ATOM 586 HZ1 LYS A1141 -4.871 3.630 18.386 1.00 0.00 H ATOM 587 HZ2 LYS A1141 -4.933 3.259 16.729 1.00 0.00 H ATOM 588 HZ3 LYS A1141 -6.223 2.825 17.746 1.00 0.00 H ATOM 589 H LYS A1141 0.126 -0.915 17.632 1.00 0.00 H ATOM 590 N LEU A1142 -1.433 -3.618 16.504 1.00 26.64 N ATOM 591 CA LEU A1142 -1.683 -4.915 15.887 1.00 30.44 C ATOM 592 C LEU A1142 -1.189 -6.060 16.768 1.00 34.53 C ATOM 593 O LEU A1142 -1.869 -7.086 16.905 1.00 34.62 O ATOM 594 CB LEU A1142 -1.003 -4.965 14.520 1.00 37.88 C ATOM 595 CG LEU A1142 -1.558 -5.931 13.483 1.00 43.19 C ATOM 596 CD1 LEU A1142 -3.030 -5.656 13.215 1.00 42.00 C ATOM 597 CD2 LEU A1142 -0.748 -5.799 12.208 1.00 42.50 C ATOM 598 H LEU A1142 -0.748 -2.964 16.075 1.00 0.00 H ATOM 599 N ASP A1143 0.004 -5.917 17.346 1.00 30.81 N ATOM 600 CA ASP A1143 0.585 -6.999 18.139 1.00 29.36 C ATOM 601 C ASP A1143 -0.125 -7.207 19.473 1.00 32.75 C ATOM 602 O ASP A1143 0.013 -8.281 20.070 1.00 39.04 O ATOM 603 CB ASP A1143 2.068 -6.723 18.395 1.00 37.15 C ATOM 604 CG ASP A1143 2.913 -6.851 17.145 1.00 41.23 C ATOM 605 OD1 ASP A1143 2.468 -7.517 16.193 1.00 44.58 O ATOM 606 OD2 ASP A1143 4.033 -6.305 17.123 1.00 40.38 O ATOM 607 H ASP A1143 0.527 -5.026 17.231 1.00 0.00 H ATOM 608 N THR A1144 -0.859 -6.213 19.966 1.00 36.17 N ATOM 609 CA THR A1144 -1.563 -6.330 21.238 1.00 36.06 C ATOM 610 C THR A1144 -3.067 -6.500 21.067 1.00 41.11 C ATOM 611 O THR A1144 -3.795 -6.478 22.065 1.00 39.74 O ATOM 612 CB THR A1144 -1.276 -5.109 22.133 1.00 28.90 C ATOM 613 OG1 THR A1144 -1.607 -3.892 21.448 1.00 30.85 O ATOM 614 CG2 THR A1144 0.200 -5.066 22.557 1.00 27.65 C ATOM 615 HG1 THR A1144 -1.064 -3.821 20.623 1.00 0.00 H ATOM 616 H THR A1144 -0.933 -5.326 19.428 1.00 0.00 H ATOM 617 N GLY A1145 -3.555 -6.651 19.836 1.00 33.66 N ATOM 618 CA GLY A1145 -4.960 -6.940 19.609 1.00 33.62 C ATOM 619 C GLY A1145 -5.890 -5.762 19.741 1.00 35.56 C ATOM 620 O GLY A1145 -7.087 -5.954 19.974 1.00 35.85 O ATOM 621 H GLY A1145 -2.916 -6.560 19.021 1.00 0.00 H ATOM 622 N GLN A1146 -5.386 -4.536 19.593 1.00 31.27 N ATOM 623 CA GLN A1146 -6.245 -3.376 19.767 1.00 35.06 C ATOM 624 C GLN A1146 -7.135 -3.113 18.560 1.00 35.70 C ATOM 625 O GLN A1146 -8.149 -2.428 18.701 1.00 37.97 O ATOM 626 CB GLN A1146 -5.395 -2.146 20.081 1.00 29.92 C ATOM 627 CG GLN A1146 -4.544 -2.326 21.331 1.00 29.42 C ATOM 628 CD GLN A1146 -3.773 -1.073 21.680 1.00 25.47 C ATOM 629 OE1 GLN A1146 -4.335 0.017 21.694 1.00 30.50 O ATOM 630 NE2 GLN A1146 -2.477 -1.221 21.958 1.00 24.43 N ATOM 631 HE22 GLN A1146 -2.045 -2.166 21.933 1.00 0.00 H ATOM 632 HE21 GLN A1146 -1.899 -0.391 22.200 1.00 0.00 H ATOM 633 H GLN A1146 -4.382 -4.410 19.354 1.00 0.00 H ATOM 634 N TYR A1147 -6.798 -3.641 17.385 1.00 29.70 N ATOM 635 CA TYR A1147 -7.682 -3.536 16.230 1.00 36.61 C ATOM 636 C TYR A1147 -8.617 -4.734 16.244 1.00 40.51 C ATOM 637 O TYR A1147 -8.187 -5.867 16.000 1.00 44.81 O ATOM 638 CB TYR A1147 -6.901 -3.480 14.921 1.00 35.71 C ATOM 639 CG TYR A1147 -5.924 -2.343 14.818 1.00 27.34 C ATOM 640 CD1 TYR A1147 -6.341 -1.024 14.930 1.00 34.07 C ATOM 641 CD2 TYR A1147 -4.582 -2.590 14.582 1.00 29.90 C ATOM 642 CE1 TYR A1147 -5.443 0.001 14.827 1.00 29.18 C ATOM 643 CE2 TYR A1147 -3.678 -1.578 14.477 1.00 33.54 C ATOM 644 CZ TYR A1147 -4.112 -0.281 14.596 1.00 30.07 C ATOM 645 OH TYR A1147 -3.198 0.716 14.499 1.00 28.12 O ATOM 646 HH TYR A1147 -3.652 1.590 14.604 1.00 0.00 H ATOM 647 H TYR A1147 -5.889 -4.137 17.289 1.00 0.00 H ATOM 648 N GLN A1148 -9.892 -4.491 16.531 1.00 34.33 N ATOM 649 CA GLN A1148 -10.880 -5.560 16.505 1.00 43.56 C ATOM 650 C GLN A1148 -11.689 -5.598 15.212 1.00 41.09 C ATOM 651 O GLN A1148 -12.403 -6.578 14.975 1.00 43.10 O ATOM 652 CB GLN A1148 -11.810 -5.434 17.712 1.00 50.06 C ATOM 653 CG GLN A1148 -11.096 -5.775 19.009 1.00 54.36 C ATOM 654 CD GLN A1148 -11.772 -5.198 20.229 1.00 64.02 C ATOM 655 OE1 GLN A1148 -11.306 -5.385 21.352 1.00 69.43 O ATOM 656 NE2 GLN A1148 -12.872 -4.483 20.019 1.00 66.17 N ATOM 657 HE22 GLN A1148 -13.230 -4.351 19.051 1.00 0.00 H ATOM 658 HE21 GLN A1148 -13.375 -4.055 20.822 1.00 0.00 H ATOM 659 H GLN A1148 -10.188 -3.525 16.777 1.00 0.00 H ATOM 660 N GLU A1149 -11.582 -4.571 14.373 1.00 35.16 N ATOM 661 CA GLU A1149 -12.179 -4.542 13.049 1.00 37.30 C ATOM 662 C GLU A1149 -11.112 -4.111 12.055 1.00 31.54 C ATOM 663 O GLU A1149 -10.288 -3.253 12.380 1.00 33.90 O ATOM 664 CB GLU A1149 -13.359 -3.565 12.980 1.00 46.60 C ATOM 665 CG GLU A1149 -14.357 -3.697 14.104 1.00 60.73 C ATOM 666 CD GLU A1149 -15.670 -4.273 13.637 1.00 73.79 C ATOM 667 OE1 GLU A1149 -15.649 -5.293 12.916 1.00 79.93 O ATOM 668 OE2 GLU A1149 -16.721 -3.695 13.982 1.00 79.08 O ATOM 669 H GLU A1149 -11.039 -3.740 14.683 1.00 0.00 H ATOM 670 N PRO A1150 -11.094 -4.679 10.848 1.00 32.99 N ATOM 671 CA PRO A1150 -10.066 -4.266 9.881 1.00 32.57 C ATOM 672 C PRO A1150 -10.075 -2.772 9.616 1.00 28.81 C ATOM 673 O PRO A1150 -9.010 -2.170 9.443 1.00 30.74 O ATOM 674 CB PRO A1150 -10.422 -5.074 8.623 1.00 32.29 C ATOM 675 CG PRO A1150 -11.182 -6.248 9.133 1.00 33.55 C ATOM 676 CD PRO A1150 -11.955 -5.749 10.318 1.00 35.25 C ATOM 677 N TRP A1151 -11.251 -2.143 9.606 1.00 31.23 N ATOM 678 CA TRP A1151 -11.282 -0.721 9.279 1.00 29.99 C ATOM 679 C TRP A1151 -10.581 0.146 10.326 1.00 32.90 C ATOM 680 O TRP A1151 -10.142 1.256 9.998 1.00 28.38 O ATOM 681 CB TRP A1151 -12.727 -0.250 9.061 1.00 36.43 C ATOM 682 CG TRP A1151 -13.637 -0.350 10.244 1.00 39.30 C ATOM 683 CD1 TRP A1151 -14.551 -1.335 10.485 1.00 43.65 C ATOM 684 CD2 TRP A1151 -13.754 0.578 11.334 1.00 42.99 C ATOM 685 NE1 TRP A1151 -15.216 -1.089 11.662 1.00 42.85 N ATOM 686 CE2 TRP A1151 -14.745 0.076 12.205 1.00 45.98 C ATOM 687 CE3 TRP A1151 -13.114 1.777 11.664 1.00 44.22 C ATOM 688 CZ2 TRP A1151 -15.110 0.731 13.378 1.00 47.12 C ATOM 689 CZ3 TRP A1151 -13.475 2.422 12.831 1.00 46.82 C ATOM 690 CH2 TRP A1151 -14.466 1.899 13.673 1.00 46.24 C ATOM 691 HE1 TRP A1151 -15.958 -1.691 12.074 1.00 0.00 H ATOM 692 H TRP A1151 -12.129 -2.656 9.827 1.00 0.00 H ATOM 693 N GLN A1152 -10.447 -0.323 11.567 1.00 28.89 N ATOM 694 CA GLN A1152 -9.717 0.464 12.560 1.00 32.59 C ATOM 695 C GLN A1152 -8.225 0.495 12.254 1.00 31.86 C ATOM 696 O GLN A1152 -7.555 1.510 12.477 1.00 29.90 O ATOM 697 CB GLN A1152 -9.953 -0.100 13.956 1.00 29.56 C ATOM 698 CG GLN A1152 -11.408 -0.184 14.344 1.00 31.92 C ATOM 699 CD GLN A1152 -11.589 -0.914 15.658 1.00 40.24 C ATOM 700 OE1 GLN A1152 -11.157 -2.052 15.804 1.00 39.59 O ATOM 701 NE2 GLN A1152 -12.202 -0.248 16.631 1.00 49.22 N ATOM 702 HE22 GLN A1152 -12.552 0.716 16.461 1.00 0.00 H ATOM 703 HE21 GLN A1152 -12.332 -0.691 17.563 1.00 0.00 H ATOM 704 H GLN A1152 -10.859 -1.242 11.827 1.00 0.00 H ATOM 705 N TYR A1153 -7.682 -0.623 11.782 1.00 27.09 N ATOM 706 CA TYR A1153 -6.311 -0.641 11.292 1.00 22.75 C ATOM 707 C TYR A1153 -6.147 0.316 10.118 1.00 23.28 C ATOM 708 O TYR A1153 -5.281 1.197 10.140 1.00 26.24 O ATOM 709 CB TYR A1153 -5.929 -2.075 10.899 1.00 23.38 C ATOM 710 CG TYR A1153 -4.671 -2.191 10.076 1.00 24.81 C ATOM 711 CD1 TYR A1153 -3.428 -2.062 10.664 1.00 23.71 C ATOM 712 CD2 TYR A1153 -4.731 -2.446 8.708 1.00 25.54 C ATOM 713 CE1 TYR A1153 -2.279 -2.182 9.926 1.00 26.05 C ATOM 714 CE2 TYR A1153 -3.585 -2.561 7.958 1.00 29.44 C ATOM 715 CZ TYR A1153 -2.361 -2.430 8.572 1.00 26.66 C ATOM 716 OH TYR A1153 -1.203 -2.527 7.846 1.00 27.61 O ATOM 717 HH TYR A1153 -1.157 -3.419 7.418 1.00 0.00 H ATOM 718 H TYR A1153 -8.245 -1.497 11.762 1.00 0.00 H ATOM 719 N VAL A1154 -7.007 0.189 9.101 1.00 24.09 N ATOM 720 CA VAL A1154 -6.892 1.044 7.919 1.00 26.13 C ATOM 721 C VAL A1154 -6.979 2.513 8.310 1.00 28.20 C ATOM 722 O VAL A1154 -6.290 3.367 7.741 1.00 24.09 O ATOM 723 CB VAL A1154 -7.971 0.679 6.881 1.00 26.87 C ATOM 724 CG1 VAL A1154 -7.901 1.626 5.692 1.00 28.71 C ATOM 725 CG2 VAL A1154 -7.801 -0.771 6.427 1.00 29.57 C ATOM 726 H VAL A1154 -7.763 -0.523 9.151 1.00 0.00 H ATOM 727 N ASP A1155 -7.828 2.834 9.281 1.00 27.42 N ATOM 728 CA ASP A1155 -7.982 4.237 9.656 1.00 29.14 C ATOM 729 C ASP A1155 -6.712 4.787 10.293 1.00 29.44 C ATOM 730 O ASP A1155 -6.380 5.962 10.099 1.00 23.15 O ATOM 731 CB ASP A1155 -9.181 4.395 10.583 1.00 29.41 C ATOM 732 CG ASP A1155 -10.512 4.291 9.835 1.00 38.97 C ATOM 733 OD1 ASP A1155 -10.498 4.067 8.605 1.00 39.99 O ATOM 734 OD2 ASP A1155 -11.573 4.432 10.475 1.00 43.29 O ATOM 735 H ASP A1155 -8.376 2.096 9.767 1.00 0.00 H ATOM 736 N ASP A1156 -5.976 3.961 11.044 1.00 24.21 N ATOM 737 CA ASP A1156 -4.729 4.459 11.620 1.00 27.70 C ATOM 738 C ASP A1156 -3.665 4.647 10.545 1.00 25.90 C ATOM 739 O ASP A1156 -2.894 5.609 10.595 1.00 23.99 O ATOM 740 CB ASP A1156 -4.223 3.514 12.706 1.00 24.02 C ATOM 741 CG ASP A1156 -4.775 3.840 14.083 1.00 29.32 C ATOM 742 OD1 ASP A1156 -5.490 4.860 14.240 1.00 29.92 O ATOM 743 OD2 ASP A1156 -4.474 3.071 15.018 1.00 32.60 O ATOM 744 H ASP A1156 -6.285 2.983 11.215 1.00 0.00 H ATOM 745 N VAL A1157 -3.595 3.730 9.577 1.00 24.05 N ATOM 746 CA VAL A1157 -2.657 3.911 8.473 1.00 21.48 C ATOM 747 C VAL A1157 -2.956 5.212 7.740 1.00 21.45 C ATOM 748 O VAL A1157 -2.046 5.985 7.422 1.00 24.51 O ATOM 749 CB VAL A1157 -2.703 2.711 7.516 1.00 22.01 C ATOM 750 CG1 VAL A1157 -1.851 2.990 6.301 1.00 21.68 C ATOM 751 CG2 VAL A1157 -2.217 1.452 8.225 1.00 23.98 C ATOM 752 H VAL A1157 -4.207 2.890 9.609 1.00 0.00 H ATOM 753 N TRP A1158 -4.239 5.487 7.480 1.00 22.06 N ATOM 754 CA TRP A1158 -4.565 6.698 6.736 1.00 22.80 C ATOM 755 C TRP A1158 -4.431 7.940 7.597 1.00 22.99 C ATOM 756 O TRP A1158 -4.186 9.032 7.069 1.00 23.04 O ATOM 757 CB TRP A1158 -5.960 6.582 6.113 1.00 25.86 C ATOM 758 CG TRP A1158 -5.831 5.787 4.854 1.00 29.17 C ATOM 759 CD1 TRP A1158 -5.971 4.442 4.726 1.00 30.61 C ATOM 760 CD2 TRP A1158 -5.421 6.274 3.567 1.00 30.15 C ATOM 761 NE1 TRP A1158 -5.711 4.058 3.427 1.00 38.18 N ATOM 762 CE2 TRP A1158 -5.368 5.167 2.698 1.00 34.56 C ATOM 763 CE3 TRP A1158 -5.114 7.540 3.064 1.00 33.10 C ATOM 764 CZ2 TRP A1158 -5.019 5.287 1.353 1.00 35.97 C ATOM 765 CZ3 TRP A1158 -4.768 7.659 1.727 1.00 33.33 C ATOM 766 CH2 TRP A1158 -4.712 6.538 0.891 1.00 35.87 C ATOM 767 HE1 TRP A1158 -5.766 3.086 3.061 1.00 0.00 H ATOM 768 H TRP A1158 -4.992 4.847 7.803 1.00 0.00 H ATOM 769 N LEU A1159 -4.595 7.808 8.912 1.00 25.62 N ATOM 770 CA LEU A1159 -4.256 8.922 9.791 1.00 23.09 C ATOM 771 C LEU A1159 -2.786 9.283 9.630 1.00 26.61 C ATOM 772 O LEU A1159 -2.430 10.460 9.495 1.00 20.94 O ATOM 773 CB LEU A1159 -4.569 8.566 11.245 1.00 23.84 C ATOM 774 CG LEU A1159 -4.131 9.576 12.312 1.00 23.14 C ATOM 775 CD1 LEU A1159 -4.808 10.929 12.112 1.00 23.49 C ATOM 776 CD2 LEU A1159 -4.416 9.025 13.720 1.00 24.16 C ATOM 777 H LEU A1159 -4.961 6.919 9.309 1.00 0.00 H ATOM 778 N MET A1160 -1.916 8.269 9.615 1.00 22.41 N ATOM 779 CA MET A1160 -0.493 8.517 9.402 1.00 22.30 C ATOM 780 C MET A1160 -0.251 9.218 8.068 1.00 25.82 C ATOM 781 O MET A1160 0.510 10.196 7.993 1.00 22.93 O ATOM 782 CB MET A1160 0.284 7.193 9.466 1.00 20.35 C ATOM 783 CG MET A1160 1.800 7.344 9.264 1.00 20.52 C ATOM 784 SD MET A1160 2.628 5.730 9.260 1.00 25.33 S ATOM 785 CE MET A1160 1.908 5.015 7.789 1.00 31.08 C ATOM 786 H MET A1160 -2.255 7.296 9.756 1.00 0.00 H ATOM 787 N PHE A1161 -0.891 8.734 7.001 1.00 20.89 N ATOM 788 CA PHE A1161 -0.724 9.365 5.691 1.00 21.40 C ATOM 789 C PHE A1161 -1.260 10.792 5.699 1.00 23.40 C ATOM 790 O PHE A1161 -0.605 11.719 5.213 1.00 24.19 O ATOM 791 CB PHE A1161 -1.438 8.577 4.597 1.00 21.74 C ATOM 792 CG PHE A1161 -0.865 7.195 4.330 1.00 24.46 C ATOM 793 CD1 PHE A1161 0.446 6.877 4.642 1.00 24.23 C ATOM 794 CD2 PHE A1161 -1.655 6.236 3.729 1.00 27.04 C ATOM 795 CE1 PHE A1161 0.947 5.594 4.381 1.00 27.14 C ATOM 796 CE2 PHE A1161 -1.169 4.972 3.463 1.00 25.85 C ATOM 797 CZ PHE A1161 0.128 4.644 3.787 1.00 25.78 C ATOM 798 H PHE A1161 -1.511 7.905 7.101 1.00 0.00 H ATOM 799 N ASN A1162 -2.473 10.980 6.219 1.00 22.55 N ATOM 800 CA ASN A1162 -3.086 12.304 6.165 1.00 26.45 C ATOM 801 C ASN A1162 -2.294 13.311 6.978 1.00 26.12 C ATOM 802 O ASN A1162 -2.201 14.482 6.600 1.00 24.77 O ATOM 803 CB ASN A1162 -4.525 12.258 6.668 1.00 25.27 C ATOM 804 CG ASN A1162 -5.470 11.616 5.677 1.00 30.46 C ATOM 805 OD1 ASN A1162 -6.373 10.880 6.061 1.00 39.15 O ATOM 806 ND2 ASN A1162 -5.273 11.899 4.405 1.00 31.28 N ATOM 807 HD22 ASN A1162 -4.493 12.529 4.127 1.00 0.00 H ATOM 808 HD21 ASN A1162 -5.897 11.492 3.679 1.00 0.00 H ATOM 809 H ASN A1162 -2.980 10.187 6.661 1.00 0.00 H ATOM 810 N ASN A1163 -1.732 12.879 8.110 1.00 25.74 N ATOM 811 CA ASN A1163 -0.878 13.776 8.883 1.00 24.70 C ATOM 812 C ASN A1163 0.303 14.256 8.051 1.00 22.86 C ATOM 813 O ASN A1163 0.642 15.445 8.070 1.00 26.53 O ATOM 814 CB ASN A1163 -0.363 13.074 10.139 1.00 23.56 C ATOM 815 CG ASN A1163 -1.439 12.871 11.190 1.00 25.39 C ATOM 816 OD1 ASN A1163 -2.545 13.409 11.091 1.00 25.76 O ATOM 817 ND2 ASN A1163 -1.097 12.121 12.227 1.00 26.91 N ATOM 818 HD22 ASN A1163 -0.152 11.688 12.266 1.00 0.00 H ATOM 819 HD21 ASN A1163 -1.773 11.965 13.002 1.00 0.00 H ATOM 820 H ASN A1163 -1.902 11.907 8.440 1.00 0.00 H ATOM 821 N ALA A1164 0.950 13.338 7.323 1.00 21.77 N ATOM 822 CA ALA A1164 2.132 13.721 6.557 1.00 27.44 C ATOM 823 C ALA A1164 1.764 14.604 5.374 1.00 26.21 C ATOM 824 O ALA A1164 2.484 15.561 5.059 1.00 25.36 O ATOM 825 CB ALA A1164 2.884 12.482 6.076 1.00 27.50 C ATOM 826 H ALA A1164 0.612 12.355 7.303 1.00 0.00 H ATOM 827 N TRP A1165 0.650 14.307 4.700 1.00 25.55 N ATOM 828 CA TRP A1165 0.215 15.195 3.616 1.00 24.04 C ATOM 829 C TRP A1165 -0.211 16.555 4.146 1.00 28.34 C ATOM 830 O TRP A1165 -0.103 17.564 3.439 1.00 30.48 O ATOM 831 CB TRP A1165 -0.929 14.548 2.836 1.00 27.33 C ATOM 832 CG TRP A1165 -0.492 13.383 1.979 1.00 28.86 C ATOM 833 CD1 TRP A1165 0.671 13.265 1.271 1.00 28.01 C ATOM 834 CD2 TRP A1165 -1.229 12.180 1.741 1.00 26.01 C ATOM 835 NE1 TRP A1165 0.698 12.063 0.602 1.00 26.30 N ATOM 836 CE2 TRP A1165 -0.459 11.380 0.875 1.00 28.75 C ATOM 837 CE3 TRP A1165 -2.468 11.707 2.176 1.00 25.74 C ATOM 838 CZ2 TRP A1165 -0.884 10.122 0.445 1.00 30.93 C ATOM 839 CZ3 TRP A1165 -2.893 10.461 1.743 1.00 27.57 C ATOM 840 CH2 TRP A1165 -2.099 9.683 0.893 1.00 28.97 C ATOM 841 HE1 TRP A1165 1.469 11.728 -0.010 1.00 0.00 H ATOM 842 H TRP A1165 0.099 13.458 4.940 1.00 0.00 H ATOM 843 N LEU A1166 -0.694 16.609 5.383 1.00 24.02 N ATOM 844 CA LEU A1166 -1.117 17.886 5.940 1.00 27.17 C ATOM 845 C LEU A1166 0.074 18.737 6.358 1.00 31.92 C ATOM 846 O LEU A1166 0.111 19.945 6.085 1.00 26.38 O ATOM 847 CB LEU A1166 -2.037 17.647 7.132 1.00 24.53 C ATOM 848 CG LEU A1166 -2.390 18.902 7.921 1.00 28.91 C ATOM 849 CD1 LEU A1166 -3.153 19.839 7.000 1.00 25.57 C ATOM 850 CD2 LEU A1166 -3.194 18.553 9.161 1.00 27.61 C ATOM 851 H LEU A1166 -0.770 15.741 5.952 1.00 0.00 H ATOM 852 N TYR A1167 1.055 18.131 7.025 1.00 27.50 N ATOM 853 CA TYR A1167 2.141 18.923 7.586 1.00 24.46 C ATOM 854 C TYR A1167 3.192 19.299 6.540 1.00 25.95 C ATOM 855 O TYR A1167 3.767 20.395 6.598 1.00 28.02 O ATOM 856 CB TYR A1167 2.805 18.171 8.746 1.00 25.06 C ATOM 857 CG TYR A1167 3.963 18.980 9.278 1.00 27.12 C ATOM 858 CD1 TYR A1167 3.737 20.052 10.134 1.00 27.47 C ATOM 859 CD2 TYR A1167 5.274 18.714 8.881 1.00 27.22 C ATOM 860 CE1 TYR A1167 4.781 20.831 10.592 1.00 32.38 C ATOM 861 CE2 TYR A1167 6.327 19.484 9.346 1.00 33.06 C ATOM 862 CZ TYR A1167 6.070 20.542 10.202 1.00 38.33 C ATOM 863 OH TYR A1167 7.095 21.329 10.663 1.00 36.70 O ATOM 864 HH TYR A1167 6.729 22.030 11.259 1.00 0.00 H ATOM 865 H TYR A1167 1.045 17.098 7.145 1.00 0.00 H ATOM 866 N ASN A1168 3.475 18.409 5.593 1.00 25.24 N ATOM 867 CA ASN A1168 4.612 18.557 4.696 1.00 25.73 C ATOM 868 C ASN A1168 4.196 19.131 3.347 1.00 35.90 C ATOM 869 O ASN A1168 3.093 18.877 2.862 1.00 35.90 O ATOM 870 CB ASN A1168 5.288 17.200 4.505 1.00 25.26 C ATOM 871 CG ASN A1168 5.808 16.642 5.802 1.00 27.87 C ATOM 872 OD1 ASN A1168 6.910 16.990 6.237 1.00 30.16 O ATOM 873 ND2 ASN A1168 5.009 15.786 6.451 1.00 27.26 N ATOM 874 HD22 ASN A1168 4.089 15.523 6.044 1.00 0.00 H ATOM 875 HD21 ASN A1168 5.308 15.384 7.362 1.00 0.00 H ATOM 876 H ASN A1168 2.861 17.576 5.489 1.00 0.00 H ATOM 877 N ARG A1169 5.093 19.919 2.749 1.00 32.06 N ATOM 878 CA ARG A1169 4.807 20.524 1.455 1.00 33.72 C ATOM 879 C ARG A1169 4.722 19.455 0.375 1.00 30.79 C ATOM 880 O ARG A1169 5.373 18.414 0.459 1.00 29.71 O ATOM 881 CB ARG A1169 5.884 21.541 1.087 1.00 33.56 C ATOM 882 CG ARG A1169 6.054 22.663 2.097 1.00 39.04 C ATOM 883 CD ARG A1169 6.648 23.908 1.437 1.00 46.42 C ATOM 884 NE ARG A1169 5.653 24.632 0.651 1.00 56.17 N ATOM 885 CZ ARG A1169 4.866 25.586 1.143 1.00 60.44 C ATOM 886 NH1 ARG A1169 4.960 25.936 2.420 1.00 56.09 N ATOM 887 NH2 ARG A1169 3.984 26.189 0.359 1.00 66.53 N ATOM 888 HE ARG A1169 5.553 24.387 -0.355 1.00 0.00 H ATOM 889 HH12 ARG A1169 4.344 26.682 2.802 1.00 0.00 H ATOM 890 HH11 ARG A1169 5.650 25.464 3.039 1.00 0.00 H ATOM 891 HH22 ARG A1169 3.370 26.934 0.744 1.00 0.00 H ATOM 892 HH21 ARG A1169 3.906 25.917 -0.642 1.00 0.00 H ATOM 893 H ARG A1169 6.006 20.103 3.212 1.00 0.00 H ATOM 894 N LYS A1170 3.925 19.731 -0.661 1.00 28.80 N ATOM 895 CA LYS A1170 3.737 18.766 -1.739 1.00 37.08 C ATOM 896 C LYS A1170 5.042 18.383 -2.428 1.00 38.08 C ATOM 897 O LYS A1170 5.115 17.308 -3.029 1.00 42.28 O ATOM 898 CB LYS A1170 2.749 19.313 -2.771 1.00 40.32 C ATOM 899 CG LYS A1170 1.315 19.367 -2.278 1.00 49.87 C ATOM 900 CD LYS A1170 0.875 20.785 -1.967 1.00 52.55 C ATOM 901 CE LYS A1170 -0.556 20.810 -1.447 1.00 53.89 C ATOM 902 NZ LYS A1170 -0.674 20.187 -0.098 1.00 54.76 N ATOM 903 HZ1 LYS A1170 -0.364 19.195 -0.147 1.00 0.00 H ATOM 904 HZ2 LYS A1170 -0.075 20.706 0.576 1.00 0.00 H ATOM 905 HZ3 LYS A1170 -1.665 20.227 0.215 1.00 0.00 H ATOM 906 H LYS A1170 3.432 20.646 -0.700 1.00 0.00 H ATOM 907 N THR A1171 6.071 19.219 -2.345 1.00 37.03 N ATOM 908 CA THR A1171 7.338 18.961 -3.013 1.00 39.98 C ATOM 909 C THR A1171 8.389 18.366 -2.086 1.00 40.00 C ATOM 910 O THR A1171 9.532 18.174 -2.509 1.00 37.59 O ATOM 911 CB THR A1171 7.869 20.250 -3.638 1.00 37.22 C ATOM 912 OG1 THR A1171 7.832 21.302 -2.661 1.00 38.14 O ATOM 913 CG2 THR A1171 7.014 20.636 -4.833 1.00 42.84 C ATOM 914 HG1 THR A1171 8.396 21.052 -1.887 1.00 0.00 H ATOM 915 H THR A1171 5.968 20.088 -1.783 1.00 0.00 H ATOM 916 N SER A1172 8.028 18.051 -0.849 1.00 34.12 N ATOM 917 CA SER A1172 8.999 17.642 0.152 1.00 34.40 C ATOM 918 C SER A1172 9.277 16.142 0.086 1.00 31.41 C ATOM 919 O SER A1172 8.490 15.358 -0.448 1.00 30.70 O ATOM 920 CB SER A1172 8.494 17.994 1.547 1.00 32.38 C ATOM 921 OG SER A1172 7.364 17.185 1.856 1.00 29.81 O ATOM 922 HG SER A1172 6.649 17.352 1.192 1.00 0.00 H ATOM 923 H SER A1172 7.022 18.098 -0.588 1.00 0.00 H ATOM 924 N ARG A1173 10.414 15.754 0.672 1.00 30.03 N ATOM 925 CA ARG A1173 10.757 14.343 0.825 1.00 30.24 C ATOM 926 C ARG A1173 9.638 13.555 1.495 1.00 26.89 C ATOM 927 O ARG A1173 9.196 12.524 0.986 1.00 26.90 O ATOM 928 CB ARG A1173 12.031 14.206 1.656 1.00 28.46 C ATOM 929 CG ARG A1173 12.347 12.756 1.990 1.00 29.40 C ATOM 930 CD ARG A1173 12.845 12.623 3.405 1.00 27.59 C ATOM 931 NE ARG A1173 13.973 13.496 3.677 1.00 35.51 N ATOM 932 CZ ARG A1173 15.232 13.225 3.344 1.00 35.51 C ATOM 933 NH1 ARG A1173 16.197 14.089 3.644 1.00 33.28 N ATOM 934 NH2 ARG A1173 15.530 12.094 2.718 1.00 31.87 N ATOM 935 HE ARG A1173 13.784 14.394 4.165 1.00 0.00 H ATOM 936 HH12 ARG A1173 17.182 13.879 3.385 1.00 0.00 H ATOM 937 HH11 ARG A1173 15.967 14.975 4.138 1.00 0.00 H ATOM 938 HH22 ARG A1173 16.516 11.887 2.460 1.00 0.00 H ATOM 939 HH21 ARG A1173 14.778 11.415 2.485 1.00 0.00 H ATOM 940 H ARG A1173 11.072 16.476 1.028 1.00 0.00 H ATOM 941 N VAL A1174 9.191 14.007 2.663 1.00 27.88 N ATOM 942 CA VAL A1174 8.241 13.211 3.433 1.00 28.20 C ATOM 943 C VAL A1174 6.914 13.079 2.695 1.00 26.85 C ATOM 944 O VAL A1174 6.286 12.013 2.698 1.00 26.15 O ATOM 945 CB VAL A1174 8.063 13.822 4.834 1.00 26.65 C ATOM 946 CG1 VAL A1174 7.018 13.044 5.612 1.00 24.89 C ATOM 947 CG2 VAL A1174 9.386 13.804 5.554 1.00 25.93 C ATOM 948 H VAL A1174 9.518 14.925 3.027 1.00 0.00 H ATOM 949 N TYR A1175 6.478 14.145 2.026 1.00 25.39 N ATOM 950 CA TYR A1175 5.253 14.060 1.237 1.00 25.32 C ATOM 951 C TYR A1175 5.392 13.042 0.114 1.00 25.65 C ATOM 952 O TYR A1175 4.491 12.231 -0.121 1.00 28.76 O ATOM 953 CB TYR A1175 4.912 15.442 0.670 1.00 26.41 C ATOM 954 CG TYR A1175 3.511 15.603 0.141 1.00 27.79 C ATOM 955 CD1 TYR A1175 3.130 15.036 -1.065 1.00 29.02 C ATOM 956 CD2 TYR A1175 2.581 16.364 0.829 1.00 32.69 C ATOM 957 CE1 TYR A1175 1.842 15.205 -1.558 1.00 32.63 C ATOM 958 CE2 TYR A1175 1.296 16.539 0.347 1.00 32.15 C ATOM 959 CZ TYR A1175 0.932 15.956 -0.840 1.00 36.73 C ATOM 960 OH TYR A1175 -0.350 16.134 -1.311 1.00 42.83 O ATOM 961 HH TYR A1175 -0.454 15.654 -2.171 1.00 0.00 H ATOM 962 H TYR A1175 7.010 15.038 2.066 1.00 0.00 H ATOM 963 N LYS A1176 6.505 13.096 -0.617 1.00 26.50 N ATOM 964 CA LYS A1176 6.709 12.157 -1.714 1.00 27.01 C ATOM 965 C LYS A1176 6.815 10.728 -1.199 1.00 28.14 C ATOM 966 O LYS A1176 6.274 9.800 -1.811 1.00 27.83 O ATOM 967 CB LYS A1176 7.961 12.531 -2.502 1.00 28.17 C ATOM 968 CG LYS A1176 7.847 13.837 -3.297 1.00 29.10 C ATOM 969 CD LYS A1176 9.126 14.092 -4.099 1.00 34.46 C ATOM 970 CE LYS A1176 9.012 15.310 -5.014 1.00 44.85 C ATOM 971 NZ LYS A1176 8.039 15.088 -6.121 1.00 46.12 N ATOM 972 HZ1 LYS A1176 8.348 14.278 -6.695 1.00 0.00 H ATOM 973 HZ2 LYS A1176 7.099 14.893 -5.721 1.00 0.00 H ATOM 974 HZ3 LYS A1176 7.993 15.939 -6.717 1.00 0.00 H ATOM 975 H LYS A1176 7.231 13.810 -0.404 1.00 0.00 H ATOM 976 N PHE A1177 7.519 10.531 -0.082 1.00 25.96 N ATOM 977 CA PHE A1177 7.622 9.193 0.494 1.00 25.47 C ATOM 978 C PHE A1177 6.265 8.713 0.984 1.00 25.07 C ATOM 979 O PHE A1177 5.920 7.533 0.851 1.00 29.29 O ATOM 980 CB PHE A1177 8.625 9.185 1.651 1.00 25.27 C ATOM 981 CG PHE A1177 10.069 9.235 1.229 1.00 26.22 C ATOM 982 CD1 PHE A1177 10.433 9.456 -0.096 1.00 29.01 C ATOM 983 CD2 PHE A1177 11.073 9.067 2.175 1.00 29.23 C ATOM 984 CE1 PHE A1177 11.772 9.493 -0.465 1.00 32.36 C ATOM 985 CE2 PHE A1177 12.414 9.108 1.813 1.00 28.88 C ATOM 986 CZ PHE A1177 12.765 9.316 0.497 1.00 31.24 C ATOM 987 H PHE A1177 7.995 11.332 0.379 1.00 0.00 H ATOM 988 N CYS A1178 5.493 9.611 1.590 1.00 25.85 N ATOM 989 CA CYS A1178 4.155 9.240 2.020 1.00 24.10 C ATOM 990 C CYS A1178 3.315 8.776 0.839 1.00 28.11 C ATOM 991 O CYS A1178 2.628 7.752 0.916 1.00 29.25 O ATOM 992 CB CYS A1178 3.488 10.421 2.718 1.00 23.16 C ATOM 993 SG CYS A1178 1.850 10.011 3.295 1.00 27.24 S ATOM 994 H CYS A1178 5.846 10.575 1.756 1.00 0.00 H ATOM 995 N SER A1179 3.363 9.519 -0.271 1.00 26.98 N ATOM 996 CA SER A1179 2.561 9.149 -1.430 1.00 29.10 C ATOM 997 C SER A1179 2.978 7.792 -1.974 1.00 28.36 C ATOM 998 O SER A1179 2.129 6.993 -2.381 1.00 30.45 O ATOM 999 CB SER A1179 2.678 10.214 -2.517 1.00 27.40 C ATOM 1000 OG SER A1179 2.247 11.465 -2.015 1.00 28.43 O ATOM 1001 HG SER A1179 2.326 12.150 -2.726 1.00 0.00 H ATOM 1002 H SER A1179 3.973 10.361 -0.307 1.00 0.00 H ATOM 1003 N LYS A1180 4.283 7.514 -1.986 1.00 29.80 N ATOM 1004 CA LYS A1180 4.743 6.182 -2.359 1.00 32.25 C ATOM 1005 C LYS A1180 4.170 5.121 -1.424 1.00 30.17 C ATOM 1006 O LYS A1180 3.643 4.102 -1.882 1.00 27.22 O ATOM 1007 CB LYS A1180 6.271 6.137 -2.368 1.00 33.22 C ATOM 1008 CG LYS A1180 6.847 4.752 -2.697 1.00 37.91 C ATOM 1009 CD LYS A1180 6.219 4.169 -3.965 1.00 46.07 C ATOM 1010 CE LYS A1180 7.115 3.112 -4.595 1.00 48.95 C ATOM 1011 NZ LYS A1180 7.571 2.130 -3.585 1.00 57.18 N ATOM 1012 HZ1 LYS A1180 8.107 2.622 -2.842 1.00 0.00 H ATOM 1013 HZ2 LYS A1180 6.745 1.659 -3.164 1.00 0.00 H ATOM 1014 HZ3 LYS A1180 8.180 1.422 -4.042 1.00 0.00 H ATOM 1015 H LYS A1180 4.973 8.249 -1.729 1.00 0.00 H ATOM 1016 N LEU A1181 4.247 5.348 -0.106 1.00 24.76 N ATOM 1017 CA LEU A1181 3.685 4.377 0.829 1.00 27.89 C ATOM 1018 C LEU A1181 2.193 4.177 0.604 1.00 30.86 C ATOM 1019 O LEU A1181 1.688 3.055 0.731 1.00 30.89 O ATOM 1020 CB LEU A1181 3.928 4.803 2.274 1.00 25.89 C ATOM 1021 CG LEU A1181 5.352 4.838 2.818 1.00 35.86 C ATOM 1022 CD1 LEU A1181 5.306 5.095 4.315 1.00 35.39 C ATOM 1023 CD2 LEU A1181 6.063 3.557 2.540 1.00 28.86 C ATOM 1024 H LEU A1181 4.705 6.211 0.250 1.00 0.00 H ATOM 1025 N ALA A1182 1.462 5.255 0.298 1.00 25.87 N ATOM 1026 CA ALA A1182 0.029 5.104 0.068 1.00 27.51 C ATOM 1027 C ALA A1182 -0.246 4.291 -1.192 1.00 29.15 C ATOM 1028 O ALA A1182 -1.180 3.479 -1.218 1.00 30.58 O ATOM 1029 CB ALA A1182 -0.654 6.470 -0.017 1.00 25.63 C ATOM 1030 H ALA A1182 1.910 6.191 0.225 1.00 0.00 H ATOM 1031 N GLU A1183 0.544 4.503 -2.251 1.00 25.71 N ATOM 1032 CA GLU A1183 0.402 3.672 -3.447 1.00 29.36 C ATOM 1033 C GLU A1183 0.645 2.205 -3.120 1.00 29.98 C ATOM 1034 O GLU A1183 -0.105 1.325 -3.557 1.00 34.70 O ATOM 1035 CB GLU A1183 1.365 4.133 -4.535 1.00 38.49 C ATOM 1036 CG GLU A1183 1.037 5.487 -5.114 1.00 55.86 C ATOM 1037 CD GLU A1183 1.784 5.738 -6.399 1.00 73.97 C ATOM 1038 OE1 GLU A1183 2.288 4.753 -6.979 1.00 83.86 O ATOM 1039 OE2 GLU A1183 1.870 6.910 -6.826 1.00 77.20 O ATOM 1040 H GLU A1183 1.259 5.258 -2.224 1.00 0.00 H ATOM 1041 N VAL A1184 1.706 1.925 -2.363 1.00 27.34 N ATOM 1042 CA VAL A1184 2.007 0.552 -1.974 1.00 32.29 C ATOM 1043 C VAL A1184 0.863 -0.022 -1.153 1.00 34.69 C ATOM 1044 O VAL A1184 0.394 -1.137 -1.398 1.00 33.04 O ATOM 1045 CB VAL A1184 3.332 0.492 -1.192 1.00 31.69 C ATOM 1046 CG1 VAL A1184 3.443 -0.826 -0.467 1.00 35.15 C ATOM 1047 CG2 VAL A1184 4.517 0.699 -2.123 1.00 28.55 C ATOM 1048 H VAL A1184 2.327 2.696 -2.046 1.00 0.00 H ATOM 1049 N PHE A1185 0.389 0.746 -0.172 1.00 29.51 N ATOM 1050 CA PHE A1185 -0.666 0.256 0.705 1.00 26.87 C ATOM 1051 C PHE A1185 -1.937 -0.031 -0.075 1.00 28.95 C ATOM 1052 O PHE A1185 -2.596 -1.048 0.157 1.00 36.75 O ATOM 1053 CB PHE A1185 -0.938 1.275 1.812 1.00 27.91 C ATOM 1054 CG PHE A1185 -1.869 0.774 2.882 1.00 26.39 C ATOM 1055 CD1 PHE A1185 -1.426 -0.132 3.833 1.00 28.73 C ATOM 1056 CD2 PHE A1185 -3.184 1.203 2.932 1.00 29.62 C ATOM 1057 CE1 PHE A1185 -2.275 -0.586 4.829 1.00 26.86 C ATOM 1058 CE2 PHE A1185 -4.044 0.749 3.923 1.00 30.40 C ATOM 1059 CZ PHE A1185 -3.588 -0.146 4.871 1.00 30.76 C ATOM 1060 H PHE A1185 0.775 1.701 -0.032 1.00 0.00 H ATOM 1061 N GLU A1186 -2.302 0.857 -1.002 1.00 28.56 N ATOM 1062 CA GLU A1186 -3.529 0.660 -1.763 1.00 28.42 C ATOM 1063 C GLU A1186 -3.485 -0.646 -2.541 1.00 32.51 C ATOM 1064 O GLU A1186 -4.498 -1.342 -2.645 1.00 34.45 O ATOM 1065 CB GLU A1186 -3.772 1.831 -2.710 1.00 33.94 C ATOM 1066 CG GLU A1186 -4.272 3.094 -2.011 1.00 34.92 C ATOM 1067 CD GLU A1186 -5.573 2.852 -1.264 1.00 43.79 C ATOM 1068 OE1 GLU A1186 -5.517 2.593 -0.043 1.00 47.34 O ATOM 1069 OE2 GLU A1186 -6.646 2.889 -1.906 1.00 49.21 O ATOM 1070 H GLU A1186 -1.709 1.692 -1.182 1.00 0.00 H ATOM 1071 N GLN A1187 -2.314 -0.995 -3.085 1.00 31.96 N ATOM 1072 CA GLN A1187 -2.170 -2.257 -3.808 1.00 33.74 C ATOM 1073 C GLN A1187 -2.274 -3.455 -2.870 1.00 37.08 C ATOM 1074 O GLN A1187 -2.842 -4.491 -3.234 1.00 36.95 O ATOM 1075 CB GLN A1187 -0.830 -2.294 -4.547 1.00 35.99 C ATOM 1076 CG GLN A1187 -0.710 -1.338 -5.724 1.00 51.48 C ATOM 1077 CD GLN A1187 -1.804 -1.536 -6.753 1.00 66.57 C ATOM 1078 OE1 GLN A1187 -2.565 -0.613 -7.052 1.00 70.38 O ATOM 1079 NE2 GLN A1187 -1.888 -2.743 -7.306 1.00 71.14 N ATOM 1080 HE22 GLN A1187 -1.224 -3.492 -7.023 1.00 0.00 H ATOM 1081 HE21 GLN A1187 -2.617 -2.938 -8.021 1.00 0.00 H ATOM 1082 H GLN A1187 -1.495 -0.360 -2.992 1.00 0.00 H ATOM 1083 N GLU A1188 -1.704 -3.344 -1.671 1.00 32.63 N ATOM 1084 CA GLU A1188 -1.630 -4.489 -0.768 1.00 36.13 C ATOM 1085 C GLU A1188 -2.925 -4.711 -0.004 1.00 34.77 C ATOM 1086 O GLU A1188 -3.272 -5.858 0.291 1.00 32.46 O ATOM 1087 CB GLU A1188 -0.483 -4.301 0.228 1.00 32.78 C ATOM 1088 CG GLU A1188 0.892 -4.355 -0.397 1.00 44.60 C ATOM 1089 CD GLU A1188 1.473 -5.754 -0.380 1.00 64.00 C ATOM 1090 OE1 GLU A1188 0.992 -6.585 0.423 1.00 67.73 O ATOM 1091 OE2 GLU A1188 2.410 -6.019 -1.164 1.00 75.29 O ATOM 1092 H GLU A1188 -1.307 -2.430 -1.374 1.00 0.00 H ATOM 1093 N ILE A1189 -3.641 -3.640 0.340 1.00 33.17 N ATOM 1094 CA ILE A1189 -4.777 -3.769 1.246 1.00 28.63 C ATOM 1095 C ILE A1189 -6.022 -4.251 0.517 1.00 33.63 C ATOM 1096 O ILE A1189 -6.906 -4.855 1.137 1.00 29.69 O ATOM 1097 CB ILE A1189 -5.037 -2.430 1.964 1.00 29.55 C ATOM 1098 CG1 ILE A1189 -5.963 -2.613 3.172 1.00 30.97 C ATOM 1099 CG2 ILE A1189 -5.608 -1.381 0.988 1.00 33.48 C ATOM 1100 CD1 ILE A1189 -5.364 -3.456 4.308 1.00 32.30 C ATOM 1101 H ILE A1189 -3.388 -2.706 -0.040 1.00 0.00 H ATOM 1102 N ASP A1190 -6.107 -4.032 -0.791 1.00 31.69 N ATOM 1103 CA ASP A1190 -7.345 -4.351 -1.498 1.00 35.35 C ATOM 1104 C ASP A1190 -7.655 -5.843 -1.514 1.00 36.68 C ATOM 1105 O ASP A1190 -8.779 -6.212 -1.136 1.00 38.18 O ATOM 1106 CB ASP A1190 -7.306 -3.781 -2.919 1.00 41.83 C ATOM 1107 CG ASP A1190 -8.527 -4.175 -3.726 1.00 47.99 C ATOM 1108 OD1 ASP A1190 -9.608 -3.610 -3.466 1.00 47.11 O ATOM 1109 OD2 ASP A1190 -8.410 -5.064 -4.597 1.00 54.37 O ATOM 1110 H ASP A1190 -5.297 -3.636 -1.309 1.00 0.00 H ATOM 1111 N PRO A1191 -6.751 -6.739 -1.937 1.00 36.74 N ATOM 1112 CA PRO A1191 -7.075 -8.174 -1.852 1.00 40.46 C ATOM 1113 C PRO A1191 -7.332 -8.640 -0.432 1.00 39.81 C ATOM 1114 O PRO A1191 -8.134 -9.560 -0.223 1.00 37.58 O ATOM 1115 CB PRO A1191 -5.835 -8.851 -2.455 1.00 37.77 C ATOM 1116 CG PRO A1191 -4.745 -7.842 -2.332 1.00 42.88 C ATOM 1117 CD PRO A1191 -5.419 -6.528 -2.535 1.00 42.40 C ATOM 1118 N VAL A1192 -6.688 -8.011 0.554 1.00 38.08 N ATOM 1119 CA VAL A1192 -6.891 -8.396 1.948 1.00 31.91 C ATOM 1120 C VAL A1192 -8.304 -8.048 2.402 1.00 36.67 C ATOM 1121 O VAL A1192 -8.977 -8.854 3.056 1.00 35.36 O ATOM 1122 CB VAL A1192 -5.832 -7.723 2.839 1.00 31.47 C ATOM 1123 CG1 VAL A1192 -6.153 -7.948 4.312 1.00 36.88 C ATOM 1124 CG2 VAL A1192 -4.442 -8.233 2.486 1.00 35.99 C ATOM 1125 H VAL A1192 -6.033 -7.236 0.326 1.00 0.00 H ATOM 1126 N MET A1193 -8.775 -6.840 2.073 1.00 33.29 N ATOM 1127 CA MET A1193 -10.116 -6.447 2.490 1.00 35.20 C ATOM 1128 C MET A1193 -11.178 -7.258 1.757 1.00 39.24 C ATOM 1129 O MET A1193 -12.225 -7.582 2.330 1.00 44.03 O ATOM 1130 CB MET A1193 -10.322 -4.950 2.265 1.00 36.74 C ATOM 1131 CG MET A1193 -9.441 -4.078 3.145 1.00 36.19 C ATOM 1132 SD MET A1193 -9.618 -4.494 4.895 1.00 42.05 S ATOM 1133 CE MET A1193 -11.393 -4.370 5.117 1.00 52.18 C ATOM 1134 H MET A1193 -8.187 -6.183 1.522 1.00 0.00 H ATOM 1135 N GLN A1194 -10.923 -7.594 0.491 1.00 39.66 N ATOM 1136 CA GLN A1194 -11.839 -8.465 -0.237 1.00 37.87 C ATOM 1137 C GLN A1194 -11.936 -9.825 0.439 1.00 45.72 C ATOM 1138 O GLN A1194 -13.021 -10.414 0.532 1.00 53.13 O ATOM 1139 CB GLN A1194 -11.376 -8.613 -1.685 1.00 39.45 C ATOM 1140 H GLN A1194 -10.068 -7.233 0.022 1.00 0.00 H ATOM 1141 N SER A1195 -10.805 -10.332 0.927 1.00 40.93 N ATOM 1142 CA SER A1195 -10.796 -11.595 1.655 1.00 40.58 C ATOM 1143 C SER A1195 -11.535 -11.477 2.985 1.00 49.54 C ATOM 1144 O SER A1195 -12.281 -12.384 3.369 1.00 48.49 O ATOM 1145 CB SER A1195 -9.349 -12.037 1.873 1.00 47.79 C ATOM 1146 OG SER A1195 -9.272 -13.309 2.482 1.00 57.54 O ATOM 1147 HG SER A1195 -8.322 -13.558 2.605 1.00 0.00 H ATOM 1148 H SER A1195 -9.912 -9.818 0.786 1.00 0.00 H ATOM 1149 N LEU A1196 -11.355 -10.360 3.697 1.00 45.20 N ATOM 1150 CA LEU A1196 -11.890 -10.250 5.051 1.00 50.91 C ATOM 1151 C LEU A1196 -13.388 -9.973 5.083 1.00 58.79 C ATOM 1152 O LEU A1196 -14.057 -10.337 6.057 1.00 54.35 O ATOM 1153 CB LEU A1196 -11.153 -9.155 5.814 1.00 38.77 C ATOM 1154 CG LEU A1196 -9.725 -9.499 6.231 1.00 39.65 C ATOM 1155 CD1 LEU A1196 -9.048 -8.273 6.822 1.00 29.88 C ATOM 1156 CD2 LEU A1196 -9.736 -10.628 7.240 1.00 35.84 C ATOM 1157 H LEU A1196 -10.830 -9.563 3.283 1.00 0.00 H ATOM 1158 N GLY A1197 -13.929 -9.327 4.057 1.00 53.81 N ATOM 1159 CA GLY A1197 -15.351 -9.040 4.017 1.00 59.44 C ATOM 1160 C GLY A1197 -15.873 -8.769 2.620 1.00 67.86 C ATOM 1161 O GLY A1197 -15.903 -7.622 2.170 1.00 72.78 O ATOM 1162 H GLY A1197 -13.323 -9.021 3.269 1.00 0.00 H TER 1163 GLY A1197 HETATM 1164 O HOH 1 -0.414 16.447 -3.519 1.00 46.21 O HETATM 1165 O HOH 2 8.267 -4.693 -1.697 1.00 57.89 O HETATM 1166 O HOH 3 0.570 20.080 1.929 1.00 41.37 O HETATM 1167 O HOH 4 13.855 11.052 18.870 1.00 46.80 O HETATM 1168 O HOH 5 -11.546 2.519 6.993 1.00 42.21 O HETATM 1169 O HOH 6 9.546 0.987 13.882 1.00 37.23 O HETATM 1170 O HOH 7 -5.102 14.160 3.342 1.00 38.67 O HETATM 1171 O HOH 8 2.776 22.886 19.479 1.00 41.07 O HETATM 1172 O HOH 9 2.489 -13.486 13.769 1.00 49.29 O HETATM 1173 O HOH 10 -9.565 13.435 17.694 1.00 51.73 O HETATM 1174 O HOH 11 5.661 15.239 -5.244 1.00 42.70 O HETATM 1175 O HOH 12 4.827 24.414 8.745 1.00 45.71 O HETATM 1176 O HOH 13 3.078 13.677 9.789 1.00 25.88 O HETATM 1177 O HOH 14 8.983 18.141 5.255 1.00 29.82 O HETATM 1178 O HOH 15 8.754 12.872 -7.284 1.00 50.46 O HETATM 1179 O HOH 16 -5.952 5.727 16.665 1.00 39.45 O HETATM 1180 O HOH 17 -8.265 3.166 14.375 1.00 33.91 O HETATM 1181 O HOH 18 9.301 21.449 -0.495 1.00 40.43 O HETATM 1182 O HOH 19 -9.293 -1.285 -2.292 1.00 37.72 O HETATM 1183 O HOH 20 -7.980 3.849 -3.959 1.00 30.97 O HETATM 1184 O HOH 21 2.279 11.668 12.934 1.00 29.24 O HETATM 1185 O HOH 22 14.832 -1.752 5.634 1.00 48.43 O HETATM 1186 O HOH 23 3.866 26.926 11.659 1.00 49.74 O HETATM 1187 O HOH 24 4.178 9.301 11.053 1.00 31.55 O HETATM 1188 O HOH 25 4.136 7.805 -5.789 1.00 51.20 O HETATM 1189 O HOH 26 2.964 22.812 7.352 1.00 41.44 O HETATM 1190 O HOH 27 10.504 9.018 17.755 1.00 34.94 O HETATM 1191 O HOH 28 -4.676 14.072 9.631 1.00 40.43 O HETATM 1192 O HOH 29 -7.559 6.275 13.326 1.00 39.23 O HETATM 1193 O HOH 30 -3.897 23.644 13.377 1.00 41.13 O HETATM 1194 O HOH 31 -3.019 9.590 17.887 1.00 34.94 O HETATM 1195 O HOH 32 -6.212 -14.572 8.998 1.00 50.17 O HETATM 1196 O HOH 33 12.745 11.331 14.925 1.00 35.84 O HETATM 1197 O HOH 34 6.699 9.416 11.910 1.00 27.31 O HETATM 1198 O HOH 35 -5.197 -8.166 16.241 1.00 41.84 O HETATM 1199 O HOH 36 10.400 10.745 11.397 1.00 30.33 O HETATM 1200 O HOH 37 2.530 11.039 9.656 1.00 26.28 O HETATM 1201 O HOH 38 13.555 5.231 10.567 1.00 32.83 O HETATM 1202 O HOH 39 8.579 -10.104 9.495 1.00 57.17 O HETATM 1203 O HOH 40 -8.138 8.022 9.570 1.00 33.46 O HETATM 1204 O HOH 41 10.672 11.179 14.252 1.00 38.56 O HETATM 1205 O HOH 42 -6.724 13.703 13.524 1.00 37.58 O HETATM 1206 O HOH 43 -14.547 -8.240 15.558 1.00 50.92 O HETATM 1207 O HOH 44 5.391 20.495 17.789 1.00 35.28 O HETATM 1208 O HOH 45 -4.235 21.719 11.293 1.00 42.78 O HETATM 1209 O HOH 46 -0.566 0.715 22.554 1.00 30.44 O HETATM 1210 O HOH 47 3.019 8.583 16.333 1.00 27.59 O HETATM 1211 O HOH 48 -7.019 1.708 2.141 1.00 35.84 O HETATM 1212 O HOH 49 7.611 20.272 3.912 1.00 31.73 O HETATM 1213 O HOH 50 3.359 12.936 -4.119 1.00 42.43 O HETATM 1214 O HOH 51 -3.695 2.728 21.965 1.00 37.49 O HETATM 1215 O HOH 52 -6.966 -0.047 -2.287 1.00 36.13 O HETATM 1216 O HOH 53 4.776 12.102 17.268 1.00 30.98 O HETATM 1217 O HOH 54 15.517 16.191 5.408 1.00 35.50 O HETATM 1218 O HOH 55 6.075 -1.316 17.878 1.00 39.53 O HETATM 1219 O HOH 56 2.487 26.985 19.221 1.00 58.83 O HETATM 1220 O HOH 57 -2.737 -11.086 3.978 1.00 41.66 O HETATM 1221 O HOH 58 14.287 20.563 9.717 1.00 49.58 O HETATM 1222 O HOH 59 4.958 -4.218 18.846 1.00 41.68 O HETATM 1223 O HOH 60 12.703 15.329 5.571 1.00 31.73 O HETATM 1224 O HOH 61 -7.101 -14.664 18.400 1.00 50.46 O HETATM 1225 O HOH 62 -4.298 14.379 13.140 1.00 28.09 O HETATM 1226 O HOH 63 18.472 12.366 3.343 1.00 32.07 O HETATM 1227 O HOH 64 8.461 21.663 8.156 1.00 42.19 O HETATM 1228 O HOH 65 -3.841 -8.627 23.991 1.00 40.76 O HETATM 1229 O HOH 66 -6.993 1.175 21.365 1.00 45.17 O HETATM 1230 O HOH 67 6.396 21.617 6.258 1.00 43.01 O HETATM 1231 O HOH 68 4.066 10.543 14.947 1.00 28.50 O HETATM 1232 O HOH 69 4.537 -4.028 21.570 1.00 44.69 O HETATM 1233 O HOH 70 12.381 -0.183 -1.159 1.00 40.41 O HETATM 1234 O HOH 71 15.241 2.410 -2.950 1.00 43.15 O HETATM 1235 O HOH 72 -4.026 15.781 4.648 1.00 36.16 O HETATM 1236 O HOH 73 5.597 23.218 -2.220 1.00 48.88 O HETATM 1237 O HOH 74 -4.443 17.455 12.211 1.00 33.31 O HETATM 1238 O HOH 75 17.953 8.102 7.785 1.00 40.37 O HETATM 1239 O HOH 76 -15.714 -4.960 9.907 1.00 51.94 O HETATM 1240 O HOH 77 14.275 15.275 21.203 1.00 58.60 O HETATM 1241 O HOH 78 15.868 6.341 10.745 1.00 42.47 O HETATM 1242 O HOH 79 -4.848 -5.886 16.610 1.00 35.89 O HETATM 1243 O HOH 80 -15.300 -12.959 3.405 1.00 62.08 O HETATM 1244 O HOH 81 14.963 -0.924 -1.042 1.00 52.82 O HETATM 1245 O HOH 82 -7.195 10.326 9.047 1.00 41.77 O HETATM 1246 O HOH 83 14.753 2.600 10.656 1.00 42.45 O HETATM 1247 O HOH 84 -6.688 -0.725 23.722 1.00 41.75 O HETATM 1248 O HOH 85 5.785 -4.003 -2.287 1.00 54.93 O HETATM 1249 O HOH 86 -7.252 -17.254 17.053 1.00 61.23 O HETATM 1250 O HOH 87 11.968 -4.094 6.675 1.00 47.05 O HETATM 1251 O HOH 88 8.386 -6.499 8.085 1.00 53.25 O HETATM 1252 O HOH 89 9.854 19.284 7.480 1.00 37.45 O HETATM 1253 O HOH 90 16.565 13.012 7.632 1.00 51.99 O HETATM 1254 O HOH 91 19.004 11.142 5.366 1.00 44.60 O HETATM 1255 O HOH 92 3.901 -6.601 22.427 1.00 46.85 O HETATM 1256 O HOH 93 2.497 8.783 18.804 1.00 39.16 O HETATM 1257 O HOH 94 12.987 9.834 16.965 1.00 41.49 O HETATM 1258 O HOH 95 -5.339 -14.874 6.682 1.00 54.86 O HETATM 1259 O HOH 96 6.078 -5.630 10.999 1.00 49.84 O HETATM 1260 O HOH 97 -5.199 -10.564 22.202 1.00 48.54 O HETATM 1261 O HOH 98 -8.508 15.627 12.941 1.00 52.32 O HETATM 1262 O HOH 99 7.024 28.494 12.532 1.00 46.67 O HETATM 1263 O HOH 100 16.987 15.183 7.894 1.00 54.42 O HETATM 1264 O HOH 101 -9.057 -14.957 20.218 1.00 53.31 O HETATM 1265 O HOH 102 -5.564 7.939 17.549 1.00 46.37 O HETATM 1266 O HOH 103 -1.332 3.500 21.441 1.00 52.32 O HETATM 1267 O HOH 104 11.464 -4.032 8.831 1.00 52.78 O HETATM 1268 O HOH 105 -1.434 -10.283 1.958 1.00 57.44 O HETATM 1269 O HOH 106 -3.447 23.557 9.710 1.00 48.69 O HETATM 1270 O HOH 107 8.122 -5.247 9.864 1.00 49.36 O HETATM 1271 O HOH 108 12.346 20.141 7.567 1.00 44.60 O HETATM 1272 O HOH 109 16.898 18.460 5.796 1.00 40.64 O HETATM 1273 O HOH 110 3.451 -8.835 24.123 1.00 41.54 O HETATM 1274 CAA UNN A 111 13.595 16.972 8.776 1.00 -0.04 C HETATM 1275 CAQ UNN A 111 12.092 16.686 8.799 1.00 0.07 C HETATM 1276 OAU UNN A 111 11.909 15.272 8.927 1.00 -0.32 O HETATM 1277 CBF UNN A 111 10.602 14.884 8.983 1.00 0.12 C HETATM 1278 CAL UNN A 111 9.549 15.788 8.855 1.00 -0.04 C HETATM 1279 CAK UNN A 111 8.225 15.352 8.922 1.00 -0.07 C HETATM 1280 CBC UNN A 111 7.948 14.001 9.110 1.00 0.01 C HETATM 1281 CAP UNN A 111 9.002 13.097 9.233 1.00 -0.03 C HETATM 1282 CBE UNN A 111 10.333 13.517 9.168 1.00 0.10 C HETATM 1283 NAT UNN A 111 11.331 12.610 9.294 1.00 -0.24 N HETATM 1284 CAY UNN A 111 12.225 12.414 8.299 1.00 0.22 C HETATM 1285 CBD UNN A 111 13.151 11.367 8.482 1.00 0.03 C HETATM 1286 CAN UNN A 111 13.339 10.753 9.724 1.00 -0.04 C HETATM 1287 CBA UNN A 111 14.265 9.711 9.872 1.00 0.06 C HETATM 1288 CAM UNN A 111 14.978 9.281 8.755 1.00 -0.02 C HETATM 1289 CBB UNN A 111 14.799 9.847 7.500 1.00 0.06 C HETATM 1290 CAO UNN A 111 13.890 10.902 7.381 1.00 -0.04 C HETATM 1291 H17 UNN A 111 13.752 11.373 6.415 1.00 0.04 H HETATM 1292 NAS UNN A 111 15.566 9.371 6.489 1.00 -0.24 N HETATM 1293 CAZ UNN A 111 15.194 9.416 5.183 1.00 0.26 C HETATM 1294 CBG UNN A 111 16.099 8.947 4.303 1.00 0.19 C HETATM 1295 CAJ UNN A 111 17.253 8.353 4.593 1.00 -0.04 C HETATM 1296 CAH UNN A 111 17.869 8.040 3.445 1.00 -0.06 C HETATM 1297 CAI UNN A 111 17.112 8.437 2.416 1.00 0.09 C HETATM 1298 OAV UNN A 111 15.955 9.029 2.953 1.00 -0.25 O HETATM 1299 H11 UNN A 111 17.348 8.323 1.359 1.00 0.10 H HETATM 1300 H10 UNN A 111 18.834 7.541 3.363 1.00 0.04 H HETATM 1301 H12 UNN A 111 17.633 8.155 5.594 1.00 0.04 H HETATM 1302 OAG UNN A 111 14.119 9.844 4.764 1.00 -0.38 O HETATM 1303 H22 UNN A 111 16.451 8.966 6.716 1.00 0.22 H HETATM 1304 H15 UNN A 111 15.697 8.478 8.870 1.00 0.04 H HETATM 1305 NAR UNN A 111 14.525 9.052 11.026 1.00 -0.24 N HETATM 1306 CAW UNN A 111 14.281 9.557 12.263 1.00 0.20 C HETATM 1307 CAB UNN A 111 14.670 8.608 13.405 1.00 0.03 C HETATM 1308 H4 UNN A 111 14.444 9.084 14.370 1.00 0.05 H HETATM 1309 H5 UNN A 111 15.746 8.387 13.348 1.00 0.05 H HETATM 1310 H6 UNN A 111 14.099 7.672 13.315 1.00 0.05 H HETATM 1311 OAD UNN A 111 13.799 10.660 12.527 1.00 -0.39 O HETATM 1312 H21 UNN A 111 14.921 8.136 10.964 1.00 0.23 H HETATM 1313 H16 UNN A 111 12.764 11.086 10.580 1.00 0.04 H HETATM 1314 OAF UNN A 111 12.226 13.068 7.259 1.00 -0.37 O HETATM 1315 H23 UNN A 111 11.408 12.077 10.136 1.00 0.22 H HETATM 1316 H18 UNN A 111 8.784 12.046 9.382 1.00 0.05 H HETATM 1317 CAX UNN A 111 6.624 13.563 9.158 1.00 0.12 C HETATM 1318 CAC UNN A 111 6.408 12.050 9.314 1.00 0.01 C HETATM 1319 H7 UNN A 111 5.330 11.834 9.339 1.00 0.04 H HETATM 1320 H8 UNN A 111 6.872 11.708 10.251 1.00 0.04 H HETATM 1321 H9 UNN A 111 6.868 11.524 8.464 1.00 0.04 H HETATM 1322 OAE UNN A 111 5.677 14.336 9.029 1.00 -0.38 O HETATM 1323 H13 UNN A 111 7.413 16.064 8.828 1.00 0.05 H HETATM 1324 H14 UNN A 111 9.761 16.840 8.702 1.00 0.05 H HETATM 1325 H19 UNN A 111 11.631 17.038 7.864 1.00 0.06 H HETATM 1326 H20 UNN A 111 11.628 17.201 9.653 1.00 0.06 H HETATM 1327 H1 UNN A 111 13.761 18.055 8.678 1.00 0.03 H HETATM 1328 H2 UNN A 111 14.054 16.452 7.922 1.00 0.03 H HETATM 1329 H3 UNN A 111 14.051 16.614 9.711 1.00 0.03 H CONECT 1 2 13 14 15 CONECT 13 1 CONECT 14 1 CONECT 15 1 CONECT 1274 1275 1327 1328 1329 CONECT 1275 1274 1276 1325 1326 CONECT 1276 1275 1277 CONECT 1277 1276 1278 1282 CONECT 1278 1277 1279 1324 CONECT 1279 1278 1280 1323 CONECT 1280 1279 1281 1317 CONECT 1281 1280 1282 1316 CONECT 1282 1277 1281 1283 CONECT 1283 1282 1284 1315 CONECT 1284 1283 1285 1314 CONECT 1285 1284 1286 1290 CONECT 1286 1285 1287 1313 CONECT 1287 1286 1288 1305 CONECT 1288 1287 1289 1304 CONECT 1289 1288 1290 1292 CONECT 1290 1285 1289 1291 CONECT 1291 1290 CONECT 1292 1289 1293 1303 CONECT 1293 1292 1294 1302 CONECT 1294 1293 1295 1298 CONECT 1295 1294 1296 1301 CONECT 1296 1295 1297 1300 CONECT 1297 1296 1298 1299 CONECT 1298 1294 1297 CONECT 1299 1297 CONECT 1300 1296 CONECT 1301 1295 CONECT 1302 1293 CONECT 1303 1292 CONECT 1304 1288 CONECT 1305 1287 1306 1312 CONECT 1306 1305 1307 1311 CONECT 1307 1306 1308 1309 1310 CONECT 1308 1307 CONECT 1309 1307 CONECT 1310 1307 CONECT 1311 1306 CONECT 1312 1305 CONECT 1313 1286 CONECT 1314 1284 CONECT 1315 1283 CONECT 1316 1281 CONECT 1317 1280 1318 1322 CONECT 1318 1317 1319 1320 1321 CONECT 1319 1318 CONECT 1320 1318 CONECT 1321 1318 CONECT 1322 1317 CONECT 1323 1279 CONECT 1324 1278 CONECT 1325 1275 CONECT 1326 1275 CONECT 1327 1274 CONECT 1328 1274 CONECT 1329 1274 MASTER 0 0 0 0 0 0 0 0 1328 1 60 9 END
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Related entries of code: 5nlk
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RCSB PDB
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5mme
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119aa, >5MME_1|Chains... at 98%
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5mpn
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5mqe
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119aa, >5NU3_1|Chain... at 98%
5nu5
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119aa, >5TB6_1|Chain... at 98%
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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
5nlk
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
CREB-binding protein
Ligand Name
92E
EC.Number
E.C.2.3.1.48
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=0.035uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) ACS Cent Sci Vol. 4: pp. 180-188
Ligand Properties
Formula
C
2
4
H
2
3
N
3
O
6
Molecular Weight
449.456
Exact Mass
449.159
No. of atoms
56
No. of bonds
58
Polar Surface Area
126.74
LOGP Value
2.19 (
Computed with XLOGP3
)
4.56 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 3
Canonical SMILES
CCOc1ccc(cc1NC(=O)c1cc(NC(=O)C)cc(c1)NC(=O)c1ccco1)C(=O)C
InChI String
InChI=1S/C24H23N3O6/c1-4-32-21-8-7-16(14(2)28)12-20(21)27-23(30)17-10-18(25-15(3)29)13-19(11-17)26-24(31)22-6-5-9-33-22/h5-13H,4H2,1-3H3,(H,25,29)(H,26,31)(H,27,30)
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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