Browse entries in the PDBbind-CN Database
HEADER 5KTX_COMPLEX COMPND 5KTX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 114 ALA ALA PHE LYS PRO GLU GLU LEU ARG GLN ALA LEU MET SEQRES 2 A 114 PRO THR LEU GLU ALA LEU TYR ARG GLN ASP PRO GLU SER SEQRES 3 A 114 LEU PRO PHE ARG GLN PRO VAL ASP PRO GLN LEU LEU GLY SEQRES 4 A 114 ILE PRO ASP TYR PHE ASP ILE VAL LYS ASN PRO MET ASP SEQRES 5 A 114 LEU SER THR ILE LYS ARG LYS LEU ASP THR GLY GLN TYR SEQRES 6 A 114 GLN GLU PRO TRP GLN TYR VAL ASP ASP VAL TRP LEU MET SEQRES 7 A 114 PHE ASN ASN ALA TRP LEU TYR ASN ARG LYS THR SER ARG SEQRES 8 A 114 VAL TYR LYS PHE CYS SER LYS LEU ALA GLU VAL PHE GLU SEQRES 9 A 114 GLN GLU ILE ASP PRO VAL MET GLN ALA LEU HET UNN A 344 56 ATOM 1 N ALA A1083 32.831 -1.244 -21.073 1.00 34.51 N ATOM 2 CA ALA A1083 31.650 -1.111 -21.919 1.00 31.16 C ATOM 3 C ALA A1083 30.801 0.083 -21.495 1.00 24.80 C ATOM 4 O ALA A1083 30.600 0.326 -20.304 1.00 28.44 O ATOM 5 CB ALA A1083 30.820 -2.391 -21.882 1.00 32.01 C ATOM 6 HN3 ALA A1083 32.535 -1.380 -20.085 1.00 0.00 H ATOM 7 HN2 ALA A1083 33.408 -0.382 -21.147 1.00 0.00 H ATOM 8 HN1 ALA A1083 33.389 -2.064 -21.385 1.00 0.00 H ATOM 9 N ALA A1084 30.316 0.833 -22.477 1.00 25.51 N ATOM 10 CA ALA A1084 29.341 1.888 -22.247 1.00 21.32 C ATOM 11 C ALA A1084 27.970 1.388 -22.679 1.00 20.73 C ATOM 12 O ALA A1084 27.832 0.759 -23.732 1.00 28.98 O ATOM 13 CB ALA A1084 29.705 3.145 -23.037 1.00 23.77 C ATOM 14 H ALA A1084 30.646 0.660 -23.448 1.00 0.00 H ATOM 15 N PHE A1085 26.962 1.659 -21.858 1.00 13.90 N ATOM 16 CA PHE A1085 25.592 1.248 -22.131 1.00 15.53 C ATOM 17 C PHE A1085 24.756 2.474 -22.467 1.00 19.42 C ATOM 18 O PHE A1085 24.771 3.463 -21.725 1.00 32.20 O ATOM 19 CB PHE A1085 24.985 0.549 -20.917 1.00 14.42 C ATOM 20 CG PHE A1085 25.659 -0.740 -20.559 1.00 13.62 C ATOM 21 CD1 PHE A1085 26.700 -0.764 -19.646 1.00 14.01 C ATOM 22 CD2 PHE A1085 25.246 -1.932 -21.126 1.00 19.62 C ATOM 23 CE1 PHE A1085 27.318 -1.958 -19.308 1.00 17.68 C ATOM 24 CE2 PHE A1085 25.857 -3.123 -20.794 1.00 17.58 C ATOM 25 CZ PHE A1085 26.894 -3.138 -19.885 1.00 17.42 C ATOM 26 H PHE A1085 27.159 2.187 -20.984 1.00 0.00 H ATOM 27 N LYS A1086 24.023 2.401 -23.565 1.00 15.04 N ATOM 28 CA LYS A1086 23.150 3.498 -23.945 1.00 14.33 C ATOM 29 C LYS A1086 21.833 3.407 -23.184 1.00 13.22 C ATOM 30 O LYS A1086 21.400 2.315 -22.810 1.00 11.27 O ATOM 31 CB LYS A1086 22.869 3.441 -25.436 1.00 17.44 C ATOM 32 CG LYS A1086 24.115 3.614 -26.284 1.00 18.09 C ATOM 33 CD LYS A1086 23.840 3.344 -27.752 1.00 25.07 C ATOM 34 CE LYS A1086 25.071 3.650 -28.594 1.00 28.88 C ATOM 35 NZ LYS A1086 25.576 5.025 -28.321 1.00 33.80 N ATOM 36 HZ1 LYS A1086 24.834 5.717 -28.550 1.00 0.00 H ATOM 37 HZ2 LYS A1086 25.830 5.106 -27.316 1.00 0.00 H ATOM 38 HZ3 LYS A1086 26.415 5.208 -28.908 1.00 0.00 H ATOM 39 H LYS A1086 24.072 1.551 -24.162 1.00 0.00 H ATOM 40 N PRO A1087 21.173 4.545 -22.951 1.00 13.00 N ATOM 41 CA PRO A1087 19.926 4.517 -22.167 1.00 13.81 C ATOM 42 C PRO A1087 18.875 3.577 -22.726 1.00 9.56 C ATOM 43 O PRO A1087 18.221 2.862 -21.959 1.00 9.55 O ATOM 44 CB PRO A1087 19.452 5.978 -22.205 1.00 16.10 C ATOM 45 CG PRO A1087 20.676 6.778 -22.533 1.00 17.42 C ATOM 46 CD PRO A1087 21.561 5.907 -23.365 1.00 17.12 C ATOM 47 N GLU A1088 18.678 3.570 -24.043 1.00 11.01 N ATOM 48 CA GLU A1088 17.633 2.733 -24.622 1.00 11.29 C ATOM 49 C GLU A1088 18.029 1.265 -24.638 1.00 10.15 C ATOM 50 O GLU A1088 17.156 0.397 -24.549 1.00 9.87 O ATOM 51 CB GLU A1088 17.260 3.228 -26.023 1.00 12.18 C ATOM 52 CG GLU A1088 16.105 2.467 -26.666 1.00 11.90 C ATOM 53 CD GLU A1088 14.769 2.640 -25.951 1.00 14.40 C ATOM 54 OE1 GLU A1088 14.670 3.416 -24.972 1.00 14.56 O ATOM 55 OE2 GLU A1088 13.797 1.985 -26.378 1.00 15.54 O ATOM 56 H GLU A1088 19.270 4.162 -24.660 1.00 0.00 H ATOM 57 N GLU A1089 19.326 0.970 -24.713 1.00 10.02 N ATOM 58 CA GLU A1089 19.784 -0.405 -24.545 1.00 10.04 C ATOM 59 C GLU A1089 19.408 -0.931 -23.165 1.00 9.60 C ATOM 60 O GLU A1089 18.891 -2.045 -23.025 1.00 9.12 O ATOM 61 CB GLU A1089 21.298 -0.446 -24.744 1.00 12.69 C ATOM 62 CG GLU A1089 21.939 -1.791 -24.495 1.00 15.52 C ATOM 63 CD GLU A1089 23.450 -1.714 -24.583 1.00 22.99 C ATOM 64 OE1 GLU A1089 23.987 -0.584 -24.653 1.00 26.71 O ATOM 65 OE2 GLU A1089 24.096 -2.781 -24.586 1.00 30.94 O ATOM 66 H GLU A1089 20.017 1.726 -24.893 1.00 0.00 H ATOM 67 N LEU A1090 19.668 -0.139 -22.124 1.00 8.35 N ATOM 68 CA LEU A1090 19.307 -0.544 -20.771 1.00 9.53 C ATOM 69 C LEU A1090 17.800 -0.669 -20.615 1.00 7.93 C ATOM 70 O LEU A1090 17.311 -1.600 -19.973 1.00 8.33 O ATOM 71 CB LEU A1090 19.868 0.457 -19.764 1.00 10.08 C ATOM 72 CG LEU A1090 21.393 0.495 -19.656 1.00 9.88 C ATOM 73 CD1 LEU A1090 21.827 1.642 -18.748 1.00 17.16 C ATOM 74 CD2 LEU A1090 21.952 -0.843 -19.156 1.00 12.39 C ATOM 75 H LEU A1090 20.134 0.778 -22.279 1.00 0.00 H ATOM 76 N ARG A1091 17.043 0.254 -21.200 1.00 8.70 N ATOM 77 CA ARG A1091 15.592 0.173 -21.079 1.00 8.61 C ATOM 78 C ARG A1091 15.057 -1.079 -21.764 1.00 8.64 C ATOM 79 O ARG A1091 14.244 -1.812 -21.191 1.00 7.68 O ATOM 80 CB ARG A1091 14.927 1.438 -21.626 1.00 9.97 C ATOM 81 CG ARG A1091 13.491 1.639 -21.138 1.00 12.82 C ATOM 82 CD ARG A1091 12.877 2.922 -21.700 1.00 16.05 C ATOM 83 NE ARG A1091 12.624 2.807 -23.131 1.00 18.55 N ATOM 84 CZ ARG A1091 11.443 2.507 -23.661 1.00 21.02 C ATOM 85 NH1 ARG A1091 10.394 2.297 -22.875 1.00 26.08 N ATOM 86 NH2 ARG A1091 11.312 2.413 -24.976 1.00 21.82 N ATOM 87 HE ARG A1091 13.420 2.971 -23.780 1.00 0.00 H ATOM 88 HH12 ARG A1091 9.471 2.062 -23.292 1.00 0.00 H ATOM 89 HH11 ARG A1091 10.496 2.367 -21.842 1.00 0.00 H ATOM 90 HH22 ARG A1091 10.388 2.178 -25.391 1.00 0.00 H ATOM 91 HH21 ARG A1091 12.133 2.574 -25.593 1.00 0.00 H ATOM 92 H ARG A1091 17.482 1.027 -21.739 1.00 0.00 H ATOM 93 N GLN A1092 15.527 -1.358 -22.981 1.00 8.47 N ATOM 94 CA GLN A1092 15.018 -2.516 -23.710 1.00 8.33 C ATOM 95 C GLN A1092 15.350 -3.812 -22.985 1.00 8.40 C ATOM 96 O GLN A1092 14.533 -4.745 -22.961 1.00 8.70 O ATOM 97 CB GLN A1092 15.582 -2.545 -25.132 1.00 9.62 C ATOM 98 CG GLN A1092 14.977 -1.516 -26.069 1.00 9.18 C ATOM 99 CD GLN A1092 13.509 -1.783 -26.357 1.00 13.74 C ATOM 100 OE1 GLN A1092 13.077 -2.941 -26.491 1.00 11.21 O ATOM 101 NE2 GLN A1092 12.724 -0.709 -26.456 1.00 13.62 N ATOM 102 HE22 GLN A1092 13.127 0.242 -26.337 1.00 0.00 H ATOM 103 HE21 GLN A1092 11.709 -0.823 -26.652 1.00 0.00 H ATOM 104 H GLN A1092 16.255 -0.751 -23.410 1.00 0.00 H ATOM 105 N ALA A1093 16.541 -3.891 -22.388 1.00 7.73 N ATOM 106 CA ALA A1093 16.950 -5.125 -21.723 1.00 7.93 C ATOM 107 C ALA A1093 16.313 -5.268 -20.344 1.00 8.13 C ATOM 108 O ALA A1093 15.884 -6.364 -19.963 1.00 8.44 O ATOM 109 CB ALA A1093 18.473 -5.177 -21.604 1.00 9.33 C ATOM 110 H ALA A1093 17.180 -3.071 -22.396 1.00 0.00 H ATOM 111 N LEU A1094 16.261 -4.180 -19.578 1.00 6.55 N ATOM 112 CA LEU A1094 15.902 -4.263 -18.168 1.00 7.00 C ATOM 113 C LEU A1094 14.425 -4.027 -17.888 1.00 7.80 C ATOM 114 O LEU A1094 13.895 -4.608 -16.932 1.00 7.61 O ATOM 115 CB LEU A1094 16.760 -3.298 -17.348 1.00 8.36 C ATOM 116 CG LEU A1094 18.270 -3.525 -17.450 1.00 9.02 C ATOM 117 CD1 LEU A1094 19.023 -2.413 -16.740 1.00 9.70 C ATOM 118 CD2 LEU A1094 18.660 -4.882 -16.881 1.00 9.47 C ATOM 119 H LEU A1094 16.481 -3.253 -19.994 1.00 0.00 H ATOM 120 N MET A1095 13.738 -3.207 -18.684 1.00 7.61 N ATOM 121 CA MET A1095 12.325 -2.965 -18.399 1.00 7.59 C ATOM 122 C MET A1095 11.513 -4.255 -18.366 1.00 8.57 C ATOM 123 O MET A1095 10.649 -4.386 -17.480 1.00 9.33 O ATOM 124 CB MET A1095 11.731 -1.923 -19.358 1.00 9.37 C ATOM 125 CG MET A1095 10.324 -1.478 -18.956 1.00 11.49 C ATOM 126 SD MET A1095 10.279 -0.521 -17.426 1.00 12.99 S ATOM 127 CE MET A1095 10.889 1.063 -18.009 1.00 18.05 C ATOM 128 H MET A1095 14.200 -2.747 -19.494 1.00 0.00 H ATOM 129 N PRO A1096 11.731 -5.232 -19.251 1.00 7.66 N ATOM 130 CA PRO A1096 10.961 -6.481 -19.145 1.00 8.66 C ATOM 131 C PRO A1096 11.148 -7.193 -17.819 1.00 7.59 C ATOM 132 O PRO A1096 10.211 -7.842 -17.343 1.00 8.60 O ATOM 133 CB PRO A1096 11.461 -7.310 -20.337 1.00 9.38 C ATOM 134 CG PRO A1096 11.926 -6.260 -21.334 1.00 9.42 C ATOM 135 CD PRO A1096 12.547 -5.192 -20.480 1.00 8.80 C ATOM 136 N THR A1097 12.320 -7.074 -17.187 1.00 7.32 N ATOM 137 CA THR A1097 12.504 -7.705 -15.881 1.00 8.44 C ATOM 138 C THR A1097 11.691 -6.996 -14.811 1.00 8.37 C ATOM 139 O THR A1097 11.174 -7.646 -13.891 1.00 8.80 O ATOM 140 CB THR A1097 13.989 -7.808 -15.480 1.00 7.25 C ATOM 141 OG1 THR A1097 14.530 -6.520 -15.148 1.00 7.44 O ATOM 142 CG2 THR A1097 14.826 -8.460 -16.579 1.00 9.30 C ATOM 143 HG1 THR A1097 14.456 -5.920 -15.932 1.00 0.00 H ATOM 144 H THR A1097 13.096 -6.536 -17.622 1.00 0.00 H ATOM 145 N LEU A1098 11.544 -5.675 -14.926 1.00 7.73 N ATOM 146 CA LEU A1098 10.690 -4.947 -13.995 1.00 7.61 C ATOM 147 C LEU A1098 9.223 -5.281 -14.236 1.00 8.00 C ATOM 148 O LEU A1098 8.449 -5.465 -13.283 1.00 8.36 O ATOM 149 CB LEU A1098 10.939 -3.442 -14.124 1.00 8.26 C ATOM 150 CG LEU A1098 10.490 -2.588 -12.936 1.00 9.72 C ATOM 151 CD1 LEU A1098 11.360 -2.864 -11.734 1.00 10.80 C ATOM 152 CD2 LEU A1098 10.561 -1.115 -13.296 1.00 11.30 C ATOM 153 H LEU A1098 12.040 -5.162 -15.683 1.00 0.00 H ATOM 154 N GLU A1099 8.814 -5.366 -15.504 1.00 8.47 N ATOM 155 CA GLU A1099 7.438 -5.755 -15.805 1.00 8.82 C ATOM 156 C GLU A1099 7.113 -7.146 -15.276 1.00 8.98 C ATOM 157 O GLU A1099 5.971 -7.402 -14.871 1.00 9.30 O ATOM 158 CB GLU A1099 7.179 -5.670 -17.306 1.00 11.68 C ATOM 159 CG GLU A1099 7.213 -4.249 -17.857 1.00 19.65 C ATOM 160 CD GLU A1099 6.098 -3.370 -17.305 1.00 24.34 C ATOM 161 OE1 GLU A1099 5.220 -3.890 -16.582 1.00 30.94 O ATOM 162 OE2 GLU A1099 6.097 -2.156 -17.602 1.00 31.77 O ATOM 163 H GLU A1099 9.475 -5.155 -16.278 1.00 0.00 H ATOM 164 N ALA A1100 8.101 -8.044 -15.247 1.00 8.65 N ATOM 165 CA ALA A1100 7.876 -9.370 -14.675 1.00 9.66 C ATOM 166 C ALA A1100 7.483 -9.276 -13.206 1.00 8.33 C ATOM 167 O ALA A1100 6.668 -10.070 -12.722 1.00 9.80 O ATOM 168 CB ALA A1100 9.124 -10.236 -14.846 1.00 10.57 C ATOM 169 H ALA A1100 9.035 -7.799 -15.633 1.00 0.00 H ATOM 170 N LEU A1101 8.052 -8.314 -12.480 1.00 7.47 N ATOM 171 CA LEU A1101 7.656 -8.116 -11.087 1.00 7.58 C ATOM 172 C LEU A1101 6.250 -7.535 -10.991 1.00 8.45 C ATOM 173 O LEU A1101 5.428 -8.004 -10.199 1.00 8.41 O ATOM 174 CB LEU A1101 8.675 -7.228 -10.372 1.00 8.76 C ATOM 175 CG LEU A1101 10.117 -7.734 -10.396 1.00 7.42 C ATOM 176 CD1 LEU A1101 10.994 -6.850 -9.516 1.00 9.56 C ATOM 177 CD2 LEU A1101 10.174 -9.201 -9.956 1.00 10.60 C ATOM 178 H LEU A1101 8.779 -7.703 -12.905 1.00 0.00 H ATOM 179 N TYR A1102 5.952 -6.514 -11.799 1.00 7.82 N ATOM 180 CA TYR A1102 4.608 -5.942 -11.819 1.00 8.96 C ATOM 181 C TYR A1102 3.552 -7.006 -12.087 1.00 9.58 C ATOM 182 O TYR A1102 2.432 -6.924 -11.570 1.00 11.01 O ATOM 183 CB TYR A1102 4.508 -4.875 -12.909 1.00 9.89 C ATOM 184 CG TYR A1102 4.928 -3.473 -12.525 1.00 12.56 C ATOM 185 CD1 TYR A1102 4.041 -2.610 -11.885 1.00 13.87 C ATOM 186 CD2 TYR A1102 6.191 -2.987 -12.854 1.00 15.88 C ATOM 187 CE1 TYR A1102 4.421 -1.312 -11.555 1.00 16.90 C ATOM 188 CE2 TYR A1102 6.577 -1.688 -12.533 1.00 13.71 C ATOM 189 CZ TYR A1102 5.682 -0.864 -11.884 1.00 13.61 C ATOM 190 OH TYR A1102 6.051 0.424 -11.569 1.00 17.86 O ATOM 191 HH TYR A1102 5.301 0.878 -11.110 1.00 0.00 H ATOM 192 H TYR A1102 6.686 -6.121 -12.422 1.00 0.00 H ATOM 193 N ARG A1103 3.870 -7.994 -12.924 1.00 9.96 N ATOM 194 CA ARG A1103 2.885 -9.011 -13.267 1.00 12.95 C ATOM 195 C ARG A1103 2.543 -9.903 -12.087 1.00 10.35 C ATOM 196 O ARG A1103 1.521 -10.590 -12.128 1.00 11.98 O ATOM 197 CB ARG A1103 3.372 -9.869 -14.438 1.00 15.49 C ATOM 198 CG ARG A1103 3.305 -9.177 -15.787 1.00 18.22 C ATOM 199 CD ARG A1103 3.368 -10.175 -16.933 1.00 21.83 C ATOM 200 NE ARG A1103 4.631 -10.904 -16.976 1.00 23.19 N ATOM 201 CZ ARG A1103 5.729 -10.461 -17.580 1.00 18.52 C ATOM 202 NH1 ARG A1103 6.837 -11.192 -17.574 1.00 19.62 N ATOM 203 NH2 ARG A1103 5.717 -9.284 -18.185 1.00 18.68 N ATOM 204 HE ARG A1103 4.675 -11.830 -16.504 1.00 0.00 H ATOM 205 HH12 ARG A1103 7.694 -10.841 -18.048 1.00 0.00 H ATOM 206 HH11 ARG A1103 6.848 -12.115 -17.095 1.00 0.00 H ATOM 207 HH22 ARG A1103 6.574 -8.934 -18.659 1.00 0.00 H ATOM 208 HH21 ARG A1103 4.850 -8.709 -18.187 1.00 0.00 H ATOM 209 H ARG A1103 4.825 -8.039 -13.334 1.00 0.00 H ATOM 210 N GLN A1104 3.370 -9.924 -11.048 1.00 8.44 N ATOM 211 CA GLN A1104 3.054 -10.736 -9.880 1.00 9.45 C ATOM 212 C GLN A1104 1.945 -10.063 -9.082 1.00 9.34 C ATOM 213 O GLN A1104 2.105 -8.938 -8.600 1.00 9.50 O ATOM 214 CB GLN A1104 4.295 -10.928 -9.019 1.00 9.98 C ATOM 215 CG GLN A1104 5.508 -11.426 -9.783 1.00 11.03 C ATOM 216 CD GLN A1104 5.243 -12.664 -10.601 1.00 20.02 C ATOM 217 OE1 GLN A1104 4.795 -13.683 -10.085 1.00 16.25 O ATOM 218 NE2 GLN A1104 5.534 -12.587 -11.891 1.00 16.81 N ATOM 219 HE22 GLN A1104 5.912 -11.703 -12.287 1.00 0.00 H ATOM 220 HE21 GLN A1104 5.384 -13.411 -12.508 1.00 0.00 H ATOM 221 H GLN A1104 4.244 -9.360 -11.068 1.00 0.00 H ATOM 222 N ASP A1105 0.830 -10.745 -8.945 1.00 10.06 N ATOM 223 CA ASP A1105 -0.364 -10.181 -8.336 1.00 9.36 C ATOM 224 C ASP A1105 -0.945 -11.300 -7.484 1.00 10.41 C ATOM 225 O ASP A1105 -1.333 -12.336 -8.029 1.00 11.64 O ATOM 226 CB ASP A1105 -1.309 -9.765 -9.467 1.00 12.11 C ATOM 227 CG ASP A1105 -2.494 -8.942 -8.997 1.00 13.80 C ATOM 228 OD1 ASP A1105 -2.692 -8.806 -7.778 1.00 13.45 O ATOM 229 OD2 ASP A1105 -3.237 -8.433 -9.865 1.00 14.60 O ATOM 230 H ASP A1105 0.800 -11.727 -9.286 1.00 0.00 H ATOM 231 N PRO A1106 -1.047 -11.139 -6.157 1.00 9.63 N ATOM 232 CA PRO A1106 -0.960 -9.876 -5.408 1.00 9.74 C ATOM 233 C PRO A1106 0.427 -9.417 -4.974 1.00 9.76 C ATOM 234 O PRO A1106 0.534 -8.354 -4.357 1.00 8.97 O ATOM 235 CB PRO A1106 -1.775 -10.193 -4.147 1.00 10.95 C ATOM 236 CG PRO A1106 -1.517 -11.656 -3.917 1.00 11.94 C ATOM 237 CD PRO A1106 -1.531 -12.252 -5.311 1.00 10.91 C ATOM 238 N GLU A1107 1.481 -10.170 -5.287 1.00 7.64 N ATOM 239 CA GLU A1107 2.745 -9.955 -4.588 1.00 7.81 C ATOM 240 C GLU A1107 3.374 -8.593 -4.878 1.00 7.86 C ATOM 241 O GLU A1107 4.075 -8.055 -4.017 1.00 7.76 O ATOM 242 CB GLU A1107 3.728 -11.096 -4.862 1.00 8.60 C ATOM 243 CG GLU A1107 3.322 -12.431 -4.245 1.00 10.58 C ATOM 244 CD GLU A1107 2.451 -13.280 -5.151 1.00 12.23 C ATOM 245 OE1 GLU A1107 1.965 -12.783 -6.193 1.00 12.74 O ATOM 246 OE2 GLU A1107 2.246 -14.467 -4.808 1.00 13.23 O ATOM 247 H GLU A1107 1.404 -10.903 -6.021 1.00 0.00 H ATOM 248 N SER A1108 3.164 -8.021 -6.066 1.00 7.27 N ATOM 249 CA SER A1108 3.756 -6.717 -6.339 1.00 7.41 C ATOM 250 C SER A1108 2.942 -5.554 -5.785 1.00 7.79 C ATOM 251 O SER A1108 3.446 -4.425 -5.774 1.00 7.83 O ATOM 252 CB SER A1108 3.970 -6.512 -7.842 1.00 9.20 C ATOM 253 OG SER A1108 2.743 -6.279 -8.507 1.00 9.24 O ATOM 254 HG SER A1108 2.145 -7.057 -8.376 1.00 0.00 H ATOM 255 H SER A1108 2.586 -8.499 -6.787 1.00 0.00 H ATOM 256 N LEU A1109 1.710 -5.784 -5.340 1.00 8.03 N ATOM 257 CA LEU A1109 0.851 -4.656 -4.990 1.00 8.47 C ATOM 258 C LEU A1109 1.457 -3.724 -3.943 1.00 8.49 C ATOM 259 O LEU A1109 1.350 -2.497 -4.118 1.00 9.37 O ATOM 260 CB LEU A1109 -0.552 -5.153 -4.617 1.00 10.05 C ATOM 261 CG LEU A1109 -1.328 -5.847 -5.747 1.00 12.63 C ATOM 262 CD1 LEU A1109 -2.685 -6.335 -5.258 1.00 14.22 C ATOM 263 CD2 LEU A1109 -1.488 -4.918 -6.939 1.00 16.63 C ATOM 264 H LEU A1109 1.361 -6.759 -5.242 1.00 0.00 H ATOM 265 N PRO A1110 2.112 -4.205 -2.881 1.00 7.53 N ATOM 266 CA PRO A1110 2.708 -3.277 -1.900 1.00 7.84 C ATOM 267 C PRO A1110 3.911 -2.517 -2.430 1.00 8.14 C ATOM 268 O PRO A1110 4.413 -1.629 -1.727 1.00 9.07 O ATOM 269 CB PRO A1110 3.133 -4.200 -0.746 1.00 9.50 C ATOM 270 CG PRO A1110 2.358 -5.478 -0.961 1.00 9.74 C ATOM 271 CD PRO A1110 2.219 -5.605 -2.443 1.00 8.43 C ATOM 272 N PHE A1111 4.409 -2.859 -3.619 1.00 7.61 N ATOM 273 CA PHE A1111 5.661 -2.334 -4.149 1.00 6.70 C ATOM 274 C PHE A1111 5.467 -1.423 -5.349 1.00 8.41 C ATOM 275 O PHE A1111 6.457 -0.896 -5.876 1.00 8.05 O ATOM 276 CB PHE A1111 6.596 -3.495 -4.513 1.00 7.69 C ATOM 277 CG PHE A1111 6.885 -4.396 -3.359 1.00 6.89 C ATOM 278 CD1 PHE A1111 7.894 -4.079 -2.472 1.00 10.59 C ATOM 279 CD2 PHE A1111 6.134 -5.539 -3.137 1.00 8.14 C ATOM 280 CE1 PHE A1111 8.157 -4.892 -1.382 1.00 11.53 C ATOM 281 CE2 PHE A1111 6.396 -6.352 -2.049 1.00 9.05 C ATOM 282 CZ PHE A1111 7.405 -6.025 -1.177 1.00 9.49 C ATOM 283 H PHE A1111 3.875 -3.537 -4.199 1.00 0.00 H ATOM 284 N ARG A1112 4.226 -1.213 -5.794 1.00 7.95 N ATOM 285 CA ARG A1112 3.968 -0.477 -7.027 1.00 9.30 C ATOM 286 C ARG A1112 4.027 1.036 -6.858 1.00 12.17 C ATOM 287 O ARG A1112 4.023 1.753 -7.863 1.00 13.83 O ATOM 288 CB ARG A1112 2.612 -0.880 -7.611 1.00 10.02 C ATOM 289 CG ARG A1112 2.592 -2.285 -8.179 1.00 8.97 C ATOM 290 CD ARG A1112 1.217 -2.587 -8.757 1.00 10.49 C ATOM 291 NE ARG A1112 1.163 -3.900 -9.397 1.00 10.83 N ATOM 292 CZ ARG A1112 0.105 -4.376 -10.039 1.00 11.71 C ATOM 293 NH1 ARG A1112 -0.998 -3.646 -10.137 1.00 12.49 N ATOM 294 NH2 ARG A1112 0.155 -5.582 -10.590 1.00 13.07 N ATOM 295 HE ARG A1112 2.010 -4.501 -9.345 1.00 0.00 H ATOM 296 HH12 ARG A1112 -1.827 -4.021 -10.641 1.00 0.00 H ATOM 297 HH11 ARG A1112 -1.034 -2.698 -9.710 1.00 0.00 H ATOM 298 HH22 ARG A1112 -0.673 -5.958 -11.094 1.00 0.00 H ATOM 299 HH21 ARG A1112 1.022 -6.151 -10.518 1.00 0.00 H ATOM 300 H ARG A1112 3.422 -1.584 -5.248 1.00 0.00 H ATOM 301 N GLN A1113 4.065 1.538 -5.636 1.00 10.44 N ATOM 302 CA GLN A1113 4.111 2.964 -5.362 1.00 10.41 C ATOM 303 C GLN A1113 4.984 3.153 -4.136 1.00 9.09 C ATOM 304 O GLN A1113 5.166 2.216 -3.353 1.00 9.57 O ATOM 305 CB GLN A1113 2.708 3.516 -5.073 1.00 13.27 C ATOM 306 CG GLN A1113 1.960 2.783 -3.941 1.00 17.27 C ATOM 307 CD GLN A1113 1.530 1.361 -4.308 1.00 17.74 C ATOM 308 OE1 GLN A1113 0.894 1.139 -5.344 1.00 19.11 O ATOM 309 NE2 GLN A1113 1.882 0.392 -3.460 1.00 14.20 N ATOM 310 HE22 GLN A1113 2.417 0.624 -2.599 1.00 0.00 H ATOM 311 HE21 GLN A1113 1.621 -0.595 -3.660 1.00 0.00 H ATOM 312 H GLN A1113 4.062 0.880 -4.831 1.00 0.00 H ATOM 313 N PRO A1114 5.535 4.349 -3.935 1.00 9.77 N ATOM 314 CA PRO A1114 6.337 4.580 -2.728 1.00 10.27 C ATOM 315 C PRO A1114 5.511 4.319 -1.475 1.00 11.19 C ATOM 316 O PRO A1114 4.323 4.637 -1.411 1.00 12.54 O ATOM 317 CB PRO A1114 6.723 6.060 -2.839 1.00 12.87 C ATOM 318 CG PRO A1114 6.670 6.349 -4.310 1.00 13.27 C ATOM 319 CD PRO A1114 5.505 5.535 -4.813 1.00 12.10 C ATOM 320 N VAL A1115 6.157 3.742 -0.461 1.00 10.36 N ATOM 321 CA VAL A1115 5.501 3.595 0.835 1.00 11.16 C ATOM 322 C VAL A1115 5.080 4.967 1.345 1.00 11.71 C ATOM 323 O VAL A1115 5.894 5.895 1.423 1.00 12.06 O ATOM 324 CB VAL A1115 6.448 2.907 1.830 1.00 10.40 C ATOM 325 CG1 VAL A1115 5.829 2.880 3.230 1.00 12.20 C ATOM 326 CG2 VAL A1115 6.781 1.499 1.359 1.00 11.53 C ATOM 327 H VAL A1115 7.129 3.396 -0.594 1.00 0.00 H ATOM 328 N ASP A1116 3.803 5.099 1.714 1.00 12.38 N ATOM 329 CA ASP A1116 3.272 6.327 2.303 1.00 15.00 C ATOM 330 C ASP A1116 2.984 6.039 3.770 1.00 13.13 C ATOM 331 O ASP A1116 1.926 5.479 4.095 1.00 13.46 O ATOM 332 CB ASP A1116 1.989 6.753 1.580 1.00 17.46 C ATOM 333 CG ASP A1116 1.389 8.047 2.134 1.00 21.95 C ATOM 334 OD1 ASP A1116 1.672 8.419 3.295 1.00 17.78 O ATOM 335 OD2 ASP A1116 0.611 8.695 1.404 1.00 26.89 O ATOM 336 H ASP A1116 3.159 4.294 1.576 1.00 0.00 H ATOM 337 N PRO A1117 3.893 6.373 4.689 1.00 12.97 N ATOM 338 CA PRO A1117 3.690 5.964 6.090 1.00 13.72 C ATOM 339 C PRO A1117 2.457 6.567 6.730 1.00 14.82 C ATOM 340 O PRO A1117 1.844 5.929 7.594 1.00 15.16 O ATOM 341 CB PRO A1117 4.989 6.407 6.782 1.00 14.74 C ATOM 342 CG PRO A1117 6.006 6.440 5.663 1.00 15.08 C ATOM 343 CD PRO A1117 5.237 6.937 4.468 1.00 16.53 C ATOM 344 N GLN A1118 2.070 7.780 6.340 1.00 15.25 N ATOM 345 CA GLN A1118 0.860 8.368 6.904 1.00 17.91 C ATOM 346 C GLN A1118 -0.374 7.590 6.470 1.00 16.97 C ATOM 347 O GLN A1118 -1.218 7.232 7.299 1.00 20.54 O ATOM 348 CB GLN A1118 0.746 9.837 6.498 1.00 19.09 C ATOM 349 CG GLN A1118 -0.584 10.477 6.872 1.00 27.85 C ATOM 350 CD GLN A1118 -0.588 11.975 6.661 1.00 31.62 C ATOM 351 OE1 GLN A1118 -0.641 12.745 7.619 1.00 35.05 O ATOM 352 NE2 GLN A1118 -0.528 12.399 5.402 1.00 32.98 N ATOM 353 HE22 GLN A1118 -0.484 11.711 4.623 1.00 0.00 H ATOM 354 HE21 GLN A1118 -0.525 13.418 5.196 1.00 0.00 H ATOM 355 H GLN A1118 2.628 8.306 5.637 1.00 0.00 H ATOM 356 N LEU A1119 -0.494 7.318 5.171 1.00 16.27 N ATOM 357 CA LEU A1119 -1.646 6.573 4.676 1.00 17.10 C ATOM 358 C LEU A1119 -1.717 5.192 5.313 1.00 15.51 C ATOM 359 O LEU A1119 -2.804 4.699 5.636 1.00 17.17 O ATOM 360 CB LEU A1119 -1.570 6.454 3.151 1.00 19.91 C ATOM 361 CG LEU A1119 -2.601 5.550 2.475 1.00 24.81 C ATOM 362 CD1 LEU A1119 -3.983 6.177 2.555 1.00 26.44 C ATOM 363 CD2 LEU A1119 -2.212 5.276 1.030 1.00 23.95 C ATOM 364 H LEU A1119 0.238 7.639 4.506 1.00 0.00 H ATOM 365 N LEU A1120 -0.567 4.554 5.509 1.00 13.12 N ATOM 366 CA LEU A1120 -0.519 3.185 5.993 1.00 13.76 C ATOM 367 C LEU A1120 -0.521 3.077 7.514 1.00 13.73 C ATOM 368 O LEU A1120 -0.563 1.956 8.031 1.00 16.43 O ATOM 369 CB LEU A1120 0.710 2.479 5.419 1.00 11.73 C ATOM 370 CG LEU A1120 0.722 2.295 3.900 1.00 12.54 C ATOM 371 CD1 LEU A1120 2.057 1.717 3.456 1.00 17.01 C ATOM 372 CD2 LEU A1120 -0.424 1.407 3.452 1.00 18.61 C ATOM 373 H LEU A1120 0.325 5.050 5.310 1.00 0.00 H ATOM 374 N GLY A1121 -0.470 4.192 8.235 1.00 12.54 N ATOM 375 CA GLY A1121 -0.465 4.147 9.688 1.00 14.63 C ATOM 376 C GLY A1121 0.798 3.577 10.298 1.00 12.84 C ATOM 377 O GLY A1121 0.735 2.959 11.369 1.00 14.13 O ATOM 378 H GLY A1121 -0.433 5.112 7.752 1.00 0.00 H ATOM 379 N ILE A1122 1.946 3.778 9.655 1.00 11.31 N ATOM 380 CA ILE A1122 3.226 3.254 10.133 1.00 12.01 C ATOM 381 C ILE A1122 4.223 4.403 10.267 1.00 11.43 C ATOM 382 O ILE A1122 5.218 4.469 9.527 1.00 12.05 O ATOM 383 CB ILE A1122 3.739 2.116 9.234 1.00 10.51 C ATOM 384 CG1 ILE A1122 3.753 2.543 7.760 1.00 11.29 C ATOM 385 CG2 ILE A1122 2.889 0.851 9.438 1.00 14.18 C ATOM 386 CD1 ILE A1122 4.361 1.490 6.826 1.00 13.67 C ATOM 387 H ILE A1122 1.933 4.332 8.775 1.00 0.00 H ATOM 388 N PRO A1123 4.004 5.318 11.211 1.00 12.49 N ATOM 389 CA PRO A1123 4.864 6.511 11.297 1.00 13.78 C ATOM 390 C PRO A1123 6.330 6.222 11.574 1.00 13.06 C ATOM 391 O PRO A1123 7.160 7.111 11.360 1.00 14.71 O ATOM 392 CB PRO A1123 4.221 7.336 12.421 1.00 15.75 C ATOM 393 CG PRO A1123 3.417 6.336 13.203 1.00 14.43 C ATOM 394 CD PRO A1123 2.909 5.359 12.192 1.00 13.14 C ATOM 395 N ASP A1124 6.687 5.031 12.043 1.00 12.37 N ATOM 396 CA ASP A1124 8.095 4.714 12.256 1.00 13.05 C ATOM 397 C ASP A1124 8.837 4.335 10.978 1.00 12.69 C ATOM 398 O ASP A1124 10.055 4.125 11.037 1.00 13.34 O ATOM 399 CB ASP A1124 8.259 3.602 13.305 1.00 12.67 C ATOM 400 CG ASP A1124 7.691 2.265 12.850 1.00 10.97 C ATOM 401 OD1 ASP A1124 7.095 2.197 11.762 1.00 11.26 O ATOM 402 OD2 ASP A1124 7.820 1.277 13.607 1.00 13.37 O ATOM 403 H ASP A1124 5.959 4.321 12.259 1.00 0.00 H ATOM 404 N TYR A1125 8.159 4.275 9.829 1.00 11.37 N ATOM 405 CA TYR A1125 8.772 3.684 8.639 1.00 11.20 C ATOM 406 C TYR A1125 10.073 4.385 8.256 1.00 11.96 C ATOM 407 O TYR A1125 11.103 3.731 8.054 1.00 12.32 O ATOM 408 CB TYR A1125 7.785 3.670 7.468 1.00 11.54 C ATOM 409 CG TYR A1125 8.370 2.997 6.243 1.00 9.47 C ATOM 410 CD1 TYR A1125 8.400 1.611 6.144 1.00 9.46 C ATOM 411 CD2 TYR A1125 8.919 3.744 5.204 1.00 10.82 C ATOM 412 CE1 TYR A1125 8.950 0.990 5.044 1.00 9.10 C ATOM 413 CE2 TYR A1125 9.474 3.125 4.097 1.00 9.73 C ATOM 414 CZ TYR A1125 9.481 1.755 4.024 1.00 8.70 C ATOM 415 OH TYR A1125 10.042 1.158 2.922 1.00 9.95 O ATOM 416 HH TYR A1125 9.974 0.174 3.010 1.00 0.00 H ATOM 417 H TYR A1125 7.190 4.650 9.780 1.00 0.00 H ATOM 418 N PHE A1126 10.051 5.718 8.144 1.00 12.51 N ATOM 419 CA PHE A1126 11.250 6.435 7.718 1.00 16.18 C ATOM 420 C PHE A1126 12.332 6.477 8.790 1.00 19.02 C ATOM 421 O PHE A1126 13.476 6.837 8.482 1.00 22.01 O ATOM 422 CB PHE A1126 10.911 7.857 7.255 1.00 14.96 C ATOM 423 CG PHE A1126 10.119 7.915 5.973 1.00 15.33 C ATOM 424 CD1 PHE A1126 10.357 7.018 4.942 1.00 18.82 C ATOM 425 CD2 PHE A1126 9.137 8.877 5.799 1.00 18.81 C ATOM 426 CE1 PHE A1126 9.631 7.087 3.768 1.00 17.38 C ATOM 427 CE2 PHE A1126 8.409 8.944 4.629 1.00 18.81 C ATOM 428 CZ PHE A1126 8.654 8.045 3.614 1.00 19.53 C ATOM 429 H PHE A1126 9.180 6.244 8.360 1.00 0.00 H ATOM 430 N ASP A1127 12.006 6.143 10.036 1.00 17.03 N ATOM 431 CA ASP A1127 13.038 5.986 11.050 1.00 18.24 C ATOM 432 C ASP A1127 13.821 4.696 10.872 1.00 20.35 C ATOM 433 O ASP A1127 14.956 4.601 11.346 1.00 24.18 O ATOM 434 CB ASP A1127 12.425 6.030 12.450 1.00 19.05 C ATOM 435 CG ASP A1127 11.848 7.392 12.789 1.00 24.11 C ATOM 436 OD1 ASP A1127 12.396 8.406 12.309 1.00 30.84 O ATOM 437 OD2 ASP A1127 10.846 7.442 13.535 1.00 34.17 O ATOM 438 H ASP A1127 11.008 5.993 10.287 1.00 0.00 H ATOM 439 N ILE A1128 13.243 3.709 10.196 1.00 13.74 N ATOM 440 CA ILE A1128 13.881 2.416 10.000 1.00 14.00 C ATOM 441 C ILE A1128 14.453 2.277 8.597 1.00 13.58 C ATOM 442 O ILE A1128 15.544 1.729 8.420 1.00 14.22 O ATOM 443 CB ILE A1128 12.881 1.286 10.324 1.00 13.88 C ATOM 444 CG1 ILE A1128 12.583 1.302 11.826 1.00 17.54 C ATOM 445 CG2 ILE A1128 13.433 -0.058 9.875 1.00 15.26 C ATOM 446 CD1 ILE A1128 11.257 0.708 12.198 1.00 18.54 C ATOM 447 H ILE A1128 12.298 3.867 9.791 1.00 0.00 H ATOM 448 N VAL A1129 13.729 2.774 7.599 1.00 11.63 N ATOM 449 CA VAL A1129 14.119 2.673 6.197 1.00 11.40 C ATOM 450 C VAL A1129 14.643 4.038 5.765 1.00 12.83 C ATOM 451 O VAL A1129 13.869 4.984 5.570 1.00 13.80 O ATOM 452 CB VAL A1129 12.940 2.232 5.324 1.00 10.11 C ATOM 453 CG1 VAL A1129 13.327 2.295 3.847 1.00 12.07 C ATOM 454 CG2 VAL A1129 12.507 0.821 5.700 1.00 12.25 C ATOM 455 H VAL A1129 12.839 3.260 7.830 1.00 0.00 H ATOM 456 N LYS A1130 15.964 4.137 5.600 1.00 12.94 N ATOM 457 CA LYS A1130 16.587 5.424 5.305 1.00 14.14 C ATOM 458 C LYS A1130 16.580 5.754 3.820 1.00 14.32 C ATOM 459 O LYS A1130 16.635 6.935 3.449 1.00 14.65 O ATOM 460 CB LYS A1130 18.018 5.455 5.840 1.00 19.07 C ATOM 461 CG LYS A1130 18.090 5.346 7.348 1.00 21.07 C ATOM 462 CD LYS A1130 17.119 6.320 7.996 1.00 24.33 C ATOM 463 CE LYS A1130 17.174 6.255 9.514 1.00 28.77 C ATOM 464 NZ LYS A1130 16.252 7.256 10.118 1.00 30.19 N ATOM 465 HZ1 LYS A1130 16.530 8.210 9.812 1.00 0.00 H ATOM 466 HZ2 LYS A1130 15.279 7.061 9.808 1.00 0.00 H ATOM 467 HZ3 LYS A1130 16.306 7.194 11.155 1.00 0.00 H ATOM 468 H LYS A1130 16.557 3.287 5.683 1.00 0.00 H ATOM 469 N ASN A1131 16.517 4.744 2.960 1.00 10.92 N ATOM 470 CA ASN A1131 16.587 4.934 1.511 1.00 11.52 C ATOM 471 C ASN A1131 15.441 4.188 0.848 1.00 9.97 C ATOM 472 O ASN A1131 15.623 3.074 0.339 1.00 10.02 O ATOM 473 CB ASN A1131 17.938 4.479 0.963 1.00 14.31 C ATOM 474 CG ASN A1131 19.070 5.320 1.483 1.00 21.48 C ATOM 475 OD1 ASN A1131 19.140 6.516 1.198 1.00 24.17 O ATOM 476 ND2 ASN A1131 19.951 4.715 2.264 1.00 21.00 N ATOM 477 HD22 ASN A1131 19.849 3.702 2.476 1.00 0.00 H ATOM 478 HD21 ASN A1131 20.745 5.253 2.666 1.00 0.00 H ATOM 479 H ASN A1131 16.414 3.778 3.332 1.00 0.00 H ATOM 480 N PRO A1132 14.239 4.768 0.847 1.00 9.97 N ATOM 481 CA PRO A1132 13.088 4.076 0.257 1.00 10.83 C ATOM 482 C PRO A1132 13.271 3.840 -1.234 1.00 9.83 C ATOM 483 O PRO A1132 13.958 4.589 -1.927 1.00 10.20 O ATOM 484 CB PRO A1132 11.925 5.041 0.518 1.00 11.95 C ATOM 485 CG PRO A1132 12.375 5.888 1.674 1.00 17.76 C ATOM 486 CD PRO A1132 13.858 6.046 1.472 1.00 12.70 C ATOM 487 N MET A1133 12.623 2.794 -1.734 1.00 8.64 N ATOM 488 CA MET A1133 12.665 2.476 -3.156 1.00 8.21 C ATOM 489 C MET A1133 11.446 1.625 -3.474 1.00 8.54 C ATOM 490 O MET A1133 10.995 0.853 -2.632 1.00 8.50 O ATOM 491 CB MET A1133 13.958 1.722 -3.512 1.00 9.89 C ATOM 492 CG MET A1133 14.182 1.479 -5.007 1.00 9.58 C ATOM 493 SD MET A1133 14.109 2.971 -6.026 1.00 10.23 S ATOM 494 CE MET A1133 15.376 3.969 -5.259 1.00 14.00 C ATOM 495 H MET A1133 12.072 2.186 -1.095 1.00 0.00 H ATOM 496 N ASP A1134 10.910 1.770 -4.686 1.00 7.81 N ATOM 497 CA ASP A1134 9.742 1.003 -5.105 1.00 8.17 C ATOM 498 C ASP A1134 9.765 0.874 -6.624 1.00 7.52 C ATOM 499 O ASP A1134 10.567 1.518 -7.313 1.00 7.68 O ATOM 500 CB ASP A1134 8.442 1.680 -4.668 1.00 9.08 C ATOM 501 CG ASP A1134 8.142 2.899 -5.500 1.00 9.67 C ATOM 502 OD1 ASP A1134 8.880 3.894 -5.369 1.00 11.06 O ATOM 503 OD2 ASP A1134 7.192 2.849 -6.308 1.00 11.92 O ATOM 504 H ASP A1134 11.336 2.448 -5.350 1.00 0.00 H ATOM 505 N LEU A1135 8.846 0.052 -7.144 1.00 7.28 N ATOM 506 CA LEU A1135 8.823 -0.238 -8.577 1.00 7.73 C ATOM 507 C LEU A1135 8.625 1.013 -9.421 1.00 7.98 C ATOM 508 O LEU A1135 9.234 1.145 -10.489 1.00 8.95 O ATOM 509 CB LEU A1135 7.728 -1.245 -8.901 1.00 8.26 C ATOM 510 CG LEU A1135 7.893 -2.641 -8.309 1.00 7.81 C ATOM 511 CD1 LEU A1135 6.630 -3.446 -8.544 1.00 9.42 C ATOM 512 CD2 LEU A1135 9.102 -3.341 -8.919 1.00 9.13 C ATOM 513 H LEU A1135 8.139 -0.387 -6.520 1.00 0.00 H ATOM 514 N SER A1136 7.737 1.919 -9.001 1.00 8.40 N ATOM 515 CA SER A1136 7.459 3.081 -9.841 1.00 9.97 C ATOM 516 C SER A1136 8.669 4.002 -9.933 1.00 9.16 C ATOM 517 O SER A1136 8.888 4.642 -10.972 1.00 9.50 O ATOM 518 CB SER A1136 6.227 3.836 -9.342 1.00 12.04 C ATOM 519 OG SER A1136 6.504 4.565 -8.162 1.00 12.13 O ATOM 520 HG SER A1136 6.797 3.941 -7.451 1.00 0.00 H ATOM 521 H SER A1136 7.251 1.798 -8.089 1.00 0.00 H ATOM 522 N THR A1137 9.460 4.084 -8.864 1.00 8.84 N ATOM 523 CA THR A1137 10.664 4.903 -8.895 1.00 9.23 C ATOM 524 C THR A1137 11.717 4.278 -9.797 1.00 8.00 C ATOM 525 O THR A1137 12.372 4.982 -10.580 1.00 8.85 O ATOM 526 CB THR A1137 11.186 5.105 -7.472 1.00 9.94 C ATOM 527 OG1 THR A1137 10.193 5.801 -6.710 1.00 12.05 O ATOM 528 CG2 THR A1137 12.466 5.915 -7.475 1.00 11.77 C ATOM 529 HG1 THR A1137 9.360 5.267 -6.689 1.00 0.00 H ATOM 530 H THR A1137 9.216 3.559 -8.000 1.00 0.00 H ATOM 531 N ILE A1138 11.872 2.955 -9.725 1.00 7.38 N ATOM 532 CA ILE A1138 12.800 2.266 -10.613 1.00 8.40 C ATOM 533 C ILE A1138 12.388 2.451 -12.064 1.00 8.05 C ATOM 534 O ILE A1138 13.227 2.736 -12.929 1.00 8.61 O ATOM 535 CB ILE A1138 12.916 0.786 -10.217 1.00 6.85 C ATOM 536 CG1 ILE A1138 13.452 0.670 -8.788 1.00 7.61 C ATOM 537 CG2 ILE A1138 13.826 0.061 -11.190 1.00 8.21 C ATOM 538 CD1 ILE A1138 13.314 -0.713 -8.172 1.00 9.05 C ATOM 539 H ILE A1138 11.325 2.410 -9.028 1.00 0.00 H ATOM 540 N LYS A1139 11.091 2.315 -12.357 1.00 7.90 N ATOM 541 CA LYS A1139 10.623 2.509 -13.727 1.00 8.49 C ATOM 542 C LYS A1139 10.962 3.907 -14.222 1.00 9.55 C ATOM 543 O LYS A1139 11.471 4.085 -15.337 1.00 9.40 O ATOM 544 CB LYS A1139 9.117 2.267 -13.809 1.00 10.00 C ATOM 545 CG LYS A1139 8.597 2.370 -15.241 1.00 13.26 C ATOM 546 CD LYS A1139 7.096 2.153 -15.346 1.00 14.52 C ATOM 547 CE LYS A1139 6.633 2.217 -16.807 1.00 20.59 C ATOM 548 NZ LYS A1139 6.901 3.532 -17.462 1.00 31.83 N ATOM 549 HZ1 LYS A1139 6.402 4.284 -16.944 1.00 0.00 H ATOM 550 HZ2 LYS A1139 7.924 3.721 -17.451 1.00 0.00 H ATOM 551 HZ3 LYS A1139 6.563 3.503 -18.445 1.00 0.00 H ATOM 552 H LYS A1139 10.413 2.070 -11.607 1.00 0.00 H ATOM 553 N ARG A1140 10.688 4.914 -13.399 1.00 9.46 N ATOM 554 CA ARG A1140 10.995 6.287 -13.778 1.00 10.28 C ATOM 555 C ARG A1140 12.487 6.476 -14.031 1.00 9.23 C ATOM 556 O ARG A1140 12.884 7.179 -14.968 1.00 9.97 O ATOM 557 CB ARG A1140 10.509 7.232 -12.683 1.00 10.37 C ATOM 558 CG ARG A1140 10.873 8.675 -12.912 1.00 16.08 C ATOM 559 CD ARG A1140 10.046 9.263 -14.024 1.00 22.44 C ATOM 560 NE ARG A1140 10.110 10.720 -14.004 1.00 24.94 N ATOM 561 CZ ARG A1140 9.630 11.501 -14.964 1.00 21.60 C ATOM 562 NH1 ARG A1140 9.052 10.961 -16.028 1.00 28.02 N ATOM 563 NH2 ARG A1140 9.733 12.818 -14.861 1.00 28.47 N ATOM 564 HE ARG A1140 10.561 11.176 -13.185 1.00 0.00 H ATOM 565 HH12 ARG A1140 8.675 11.571 -16.781 1.00 0.00 H ATOM 566 HH11 ARG A1140 8.975 9.927 -16.110 1.00 0.00 H ATOM 567 HH22 ARG A1140 9.357 13.429 -15.613 1.00 0.00 H ATOM 568 HH21 ARG A1140 10.190 13.240 -14.028 1.00 0.00 H ATOM 569 H ARG A1140 10.250 4.720 -12.476 1.00 0.00 H ATOM 570 N LYS A1141 13.333 5.855 -13.206 1.00 9.79 N ATOM 571 CA LYS A1141 14.775 5.967 -13.397 1.00 9.65 C ATOM 572 C LYS A1141 15.225 5.337 -14.711 1.00 9.86 C ATOM 573 O LYS A1141 16.079 5.896 -15.404 1.00 9.34 O ATOM 574 CB LYS A1141 15.529 5.402 -12.188 1.00 10.14 C ATOM 575 CG LYS A1141 15.395 6.307 -10.959 1.00 11.15 C ATOM 576 CD LYS A1141 16.092 5.761 -9.715 1.00 12.55 C ATOM 577 CE LYS A1141 17.607 5.809 -9.840 1.00 11.80 C ATOM 578 NZ LYS A1141 18.254 5.452 -8.535 1.00 12.13 N ATOM 579 HZ1 LYS A1141 17.953 6.128 -7.804 1.00 0.00 H ATOM 580 HZ2 LYS A1141 17.968 4.491 -8.259 1.00 0.00 H ATOM 581 HZ3 LYS A1141 19.288 5.490 -8.640 1.00 0.00 H ATOM 582 H LYS A1141 12.960 5.286 -12.419 1.00 0.00 H ATOM 583 N LEU A1142 14.650 4.191 -15.086 1.00 8.37 N ATOM 584 CA LEU A1142 14.941 3.617 -16.399 1.00 10.16 C ATOM 585 C LEU A1142 14.463 4.524 -17.525 1.00 10.98 C ATOM 586 O LEU A1142 15.163 4.700 -18.529 1.00 12.14 O ATOM 587 CB LEU A1142 14.273 2.249 -16.536 1.00 12.62 C ATOM 588 CG LEU A1142 14.984 1.020 -15.978 1.00 15.73 C ATOM 589 CD1 LEU A1142 14.041 -0.175 -16.028 1.00 16.58 C ATOM 590 CD2 LEU A1142 16.261 0.764 -16.776 1.00 15.81 C ATOM 591 H LEU A1142 13.993 3.706 -14.442 1.00 0.00 H ATOM 592 N ASP A1143 13.261 5.091 -17.390 1.00 9.06 N ATOM 593 CA ASP A1143 12.702 5.916 -18.454 1.00 10.52 C ATOM 594 C ASP A1143 13.474 7.212 -18.623 1.00 10.39 C ATOM 595 O ASP A1143 13.480 7.791 -19.713 1.00 12.45 O ATOM 596 CB ASP A1143 11.235 6.229 -18.161 1.00 12.49 C ATOM 597 CG ASP A1143 10.316 5.060 -18.445 1.00 16.84 C ATOM 598 OD1 ASP A1143 10.661 4.229 -19.309 1.00 21.93 O ATOM 599 OD2 ASP A1143 9.245 4.988 -17.808 1.00 22.34 O ATOM 600 H ASP A1143 12.718 4.942 -16.516 1.00 0.00 H ATOM 601 N THR A1144 14.120 7.690 -17.562 1.00 10.94 N ATOM 602 CA THR A1144 14.834 8.958 -17.599 1.00 11.19 C ATOM 603 C THR A1144 16.348 8.778 -17.611 1.00 11.02 C ATOM 604 O THR A1144 17.079 9.737 -17.348 1.00 11.83 O ATOM 605 CB THR A1144 14.396 9.880 -16.459 1.00 11.73 C ATOM 606 OG1 THR A1144 14.693 9.262 -15.201 1.00 11.54 O ATOM 607 CG2 THR A1144 12.894 10.200 -16.540 1.00 13.64 C ATOM 608 HG1 THR A1144 14.208 8.402 -15.134 1.00 0.00 H ATOM 609 H THR A1144 14.114 7.140 -16.679 1.00 0.00 H ATOM 610 N GLY A1145 16.825 7.578 -17.924 1.00 10.68 N ATOM 611 CA GLY A1145 18.244 7.354 -18.154 1.00 11.95 C ATOM 612 C GLY A1145 19.125 7.560 -16.944 1.00 11.49 C ATOM 613 O GLY A1145 20.287 7.955 -17.092 1.00 13.26 O ATOM 614 H GLY A1145 16.166 6.777 -18.007 1.00 0.00 H ATOM 615 N GLN A1146 18.618 7.279 -15.746 1.00 11.03 N ATOM 616 CA GLN A1146 19.378 7.514 -14.524 1.00 12.83 C ATOM 617 C GLN A1146 20.290 6.356 -14.141 1.00 13.50 C ATOM 618 O GLN A1146 20.998 6.457 -13.133 1.00 12.92 O ATOM 619 CB GLN A1146 18.444 7.856 -13.362 1.00 10.47 C ATOM 620 CG GLN A1146 17.762 9.208 -13.493 1.00 10.95 C ATOM 621 CD GLN A1146 16.947 9.559 -12.269 1.00 15.45 C ATOM 622 OE1 GLN A1146 17.449 9.535 -11.144 1.00 17.24 O ATOM 623 NE2 GLN A1146 15.676 9.871 -12.478 1.00 17.79 N ATOM 624 HE22 GLN A1146 15.295 9.878 -13.446 1.00 0.00 H ATOM 625 HE21 GLN A1146 15.060 10.108 -11.674 1.00 0.00 H ATOM 626 H GLN A1146 17.659 6.883 -15.680 1.00 0.00 H ATOM 627 N TYR A1147 20.290 5.263 -14.896 1.00 11.65 N ATOM 628 CA TYR A1147 21.235 4.176 -14.693 1.00 13.29 C ATOM 629 C TYR A1147 22.262 4.205 -15.813 1.00 13.41 C ATOM 630 O TYR A1147 21.899 4.250 -16.993 1.00 16.13 O ATOM 631 CB TYR A1147 20.527 2.820 -14.678 1.00 12.47 C ATOM 632 CG TYR A1147 19.475 2.682 -13.603 1.00 9.39 C ATOM 633 CD1 TYR A1147 19.818 2.756 -12.254 1.00 11.18 C ATOM 634 CD2 TYR A1147 18.144 2.471 -13.927 1.00 10.18 C ATOM 635 CE1 TYR A1147 18.861 2.632 -11.272 1.00 9.62 C ATOM 636 CE2 TYR A1147 17.187 2.338 -12.956 1.00 9.18 C ATOM 637 CZ TYR A1147 17.545 2.419 -11.627 1.00 9.58 C ATOM 638 OH TYR A1147 16.580 2.287 -10.658 1.00 9.78 O ATOM 639 HH TYR A1147 16.998 2.369 -9.764 1.00 0.00 H ATOM 640 H TYR A1147 19.589 5.182 -15.660 1.00 0.00 H ATOM 641 N GLN A1148 23.536 4.200 -15.445 1.00 10.98 N ATOM 642 CA GLN A1148 24.603 4.077 -16.426 1.00 14.38 C ATOM 643 C GLN A1148 25.045 2.635 -16.639 1.00 12.89 C ATOM 644 O GLN A1148 25.573 2.315 -17.711 1.00 13.74 O ATOM 645 CB GLN A1148 25.803 4.934 -16.014 1.00 20.14 C ATOM 646 CG GLN A1148 25.634 6.434 -16.278 1.00 25.22 C ATOM 647 CD GLN A1148 24.466 7.052 -15.525 1.00 29.50 C ATOM 648 OE1 GLN A1148 23.527 7.577 -16.131 1.00 35.36 O ATOM 649 NE2 GLN A1148 24.524 7.004 -14.199 1.00 29.00 N ATOM 650 HE22 GLN A1148 25.334 6.552 -13.730 1.00 0.00 H ATOM 651 HE21 GLN A1148 23.759 7.419 -13.630 1.00 0.00 H ATOM 652 H GLN A1148 23.777 4.286 -14.437 1.00 0.00 H ATOM 653 N GLU A1149 24.828 1.759 -15.662 1.00 11.71 N ATOM 654 CA GLU A1149 25.301 0.385 -15.695 1.00 12.26 C ATOM 655 C GLU A1149 24.185 -0.515 -15.186 1.00 9.94 C ATOM 656 O GLU A1149 23.431 -0.113 -14.294 1.00 10.22 O ATOM 657 CB GLU A1149 26.501 0.207 -14.751 1.00 16.25 C ATOM 658 CG GLU A1149 27.582 1.255 -14.891 1.00 22.67 C ATOM 659 CD GLU A1149 28.550 0.929 -15.998 1.00 22.60 C ATOM 660 OE1 GLU A1149 28.471 -0.190 -16.544 1.00 27.79 O ATOM 661 OE2 GLU A1149 29.395 1.789 -16.321 1.00 27.38 O ATOM 662 H GLU A1149 24.291 2.074 -14.829 1.00 0.00 H ATOM 663 N PRO A1150 24.073 -1.735 -15.714 1.00 8.21 N ATOM 664 CA PRO A1150 23.010 -2.637 -15.236 1.00 9.10 C ATOM 665 C PRO A1150 23.039 -2.884 -13.741 1.00 9.19 C ATOM 666 O PRO A1150 21.973 -3.006 -13.118 1.00 8.63 O ATOM 667 CB PRO A1150 23.263 -3.930 -16.023 1.00 11.14 C ATOM 668 CG PRO A1150 23.946 -3.474 -17.273 1.00 12.58 C ATOM 669 CD PRO A1150 24.803 -2.295 -16.864 1.00 10.25 C ATOM 670 N TRP A1151 24.225 -2.935 -13.131 1.00 9.38 N ATOM 671 CA TRP A1151 24.292 -3.231 -11.703 1.00 9.39 C ATOM 672 C TRP A1151 23.610 -2.157 -10.864 1.00 9.56 C ATOM 673 O TRP A1151 23.148 -2.446 -9.758 1.00 9.45 O ATOM 674 CB TRP A1151 25.735 -3.496 -11.243 1.00 13.49 C ATOM 675 CG TRP A1151 26.678 -2.342 -11.357 1.00 15.39 C ATOM 676 CD1 TRP A1151 27.573 -2.116 -12.360 1.00 20.12 C ATOM 677 CD2 TRP A1151 26.851 -1.272 -10.417 1.00 15.76 C ATOM 678 NE1 TRP A1151 28.276 -0.963 -12.116 1.00 23.50 N ATOM 679 CE2 TRP A1151 27.855 -0.427 -10.929 1.00 23.81 C ATOM 680 CE3 TRP A1151 26.249 -0.943 -9.198 1.00 17.18 C ATOM 681 CZ2 TRP A1151 28.270 0.725 -10.266 1.00 24.85 C ATOM 682 CZ3 TRP A1151 26.663 0.205 -8.541 1.00 22.18 C ATOM 683 CH2 TRP A1151 27.664 1.022 -9.078 1.00 23.23 C ATOM 684 HE1 TRP A1151 29.010 -0.561 -12.733 1.00 0.00 H ATOM 685 H TRP A1151 25.098 -2.765 -13.671 1.00 0.00 H ATOM 686 N GLN A1152 23.529 -0.922 -11.360 1.00 9.21 N ATOM 687 CA GLN A1152 22.846 0.119 -10.593 1.00 9.10 C ATOM 688 C GLN A1152 21.344 -0.137 -10.530 1.00 8.35 C ATOM 689 O GLN A1152 20.697 0.136 -9.509 1.00 9.14 O ATOM 690 CB GLN A1152 23.118 1.486 -11.208 1.00 9.39 C ATOM 691 CG GLN A1152 24.563 1.927 -11.109 1.00 11.59 C ATOM 692 CD GLN A1152 24.827 3.170 -11.915 1.00 13.59 C ATOM 693 OE1 GLN A1152 24.454 3.252 -13.084 1.00 12.91 O ATOM 694 NE2 GLN A1152 25.459 4.159 -11.292 1.00 18.62 N ATOM 695 HE22 GLN A1152 25.756 4.044 -10.302 1.00 0.00 H ATOM 696 HE21 GLN A1152 25.657 5.048 -11.794 1.00 0.00 H ATOM 697 H GLN A1152 23.948 -0.701 -12.286 1.00 0.00 H ATOM 698 N TYR A1153 20.768 -0.645 -11.621 1.00 7.54 N ATOM 699 CA TYR A1153 19.372 -1.066 -11.616 1.00 6.75 C ATOM 700 C TYR A1153 19.167 -2.232 -10.655 1.00 6.24 C ATOM 701 O TYR A1153 18.248 -2.219 -9.828 1.00 7.04 O ATOM 702 CB TYR A1153 18.960 -1.446 -13.042 1.00 7.65 C ATOM 703 CG TYR A1153 17.680 -2.240 -13.151 1.00 6.39 C ATOM 704 CD1 TYR A1153 16.448 -1.610 -13.084 1.00 7.51 C ATOM 705 CD2 TYR A1153 17.703 -3.617 -13.337 1.00 7.05 C ATOM 706 CE1 TYR A1153 15.276 -2.331 -13.193 1.00 7.28 C ATOM 707 CE2 TYR A1153 16.539 -4.348 -13.445 1.00 6.76 C ATOM 708 CZ TYR A1153 15.322 -3.702 -13.366 1.00 6.56 C ATOM 709 OH TYR A1153 14.134 -4.388 -13.474 1.00 7.89 O ATOM 710 HH TYR A1153 14.093 -4.839 -14.354 1.00 0.00 H ATOM 711 H TYR A1153 21.326 -0.743 -12.493 1.00 0.00 H ATOM 712 N VAL A1154 20.027 -3.250 -10.740 1.00 7.01 N ATOM 713 CA VAL A1154 19.936 -4.381 -9.817 1.00 7.26 C ATOM 714 C VAL A1154 20.000 -3.905 -8.373 1.00 6.84 C ATOM 715 O VAL A1154 19.236 -4.370 -7.517 1.00 7.51 O ATOM 716 CB VAL A1154 21.024 -5.426 -10.127 1.00 8.11 C ATOM 717 CG1 VAL A1154 20.999 -6.558 -9.097 1.00 9.47 C ATOM 718 CG2 VAL A1154 20.851 -5.972 -11.535 1.00 10.70 C ATOM 719 H VAL A1154 20.768 -3.239 -11.469 1.00 0.00 H ATOM 720 N ASP A1155 20.897 -2.966 -8.084 1.00 6.96 N ATOM 721 CA ASP A1155 21.030 -2.453 -6.725 1.00 8.62 C ATOM 722 C ASP A1155 19.735 -1.815 -6.231 1.00 6.32 C ATOM 723 O ASP A1155 19.386 -1.948 -5.057 1.00 8.27 O ATOM 724 CB ASP A1155 22.178 -1.442 -6.644 1.00 9.93 C ATOM 725 CG ASP A1155 23.547 -2.100 -6.573 1.00 16.72 C ATOM 726 OD1 ASP A1155 23.621 -3.349 -6.614 1.00 16.81 O ATOM 727 OD2 ASP A1155 24.547 -1.352 -6.500 1.00 20.47 O ATOM 728 H ASP A1155 21.511 -2.593 -8.836 1.00 0.00 H ATOM 729 N ASP A1156 19.020 -1.084 -7.094 1.00 7.20 N ATOM 730 CA ASP A1156 17.771 -0.463 -6.654 1.00 7.33 C ATOM 731 C ASP A1156 16.694 -1.506 -6.407 1.00 6.43 C ATOM 732 O ASP A1156 15.915 -1.390 -5.455 1.00 6.82 O ATOM 733 CB ASP A1156 17.279 0.572 -7.668 1.00 6.99 C ATOM 734 CG ASP A1156 17.800 1.968 -7.391 1.00 11.11 C ATOM 735 OD1 ASP A1156 18.357 2.214 -6.301 1.00 11.30 O ATOM 736 OD2 ASP A1156 17.626 2.841 -8.268 1.00 11.29 O ATOM 737 H ASP A1156 19.350 -0.958 -8.072 1.00 0.00 H ATOM 738 N VAL A1157 16.613 -2.529 -7.255 1.00 6.71 N ATOM 739 CA VAL A1157 15.646 -3.596 -7.009 1.00 6.95 C ATOM 740 C VAL A1157 15.936 -4.264 -5.672 1.00 5.99 C ATOM 741 O VAL A1157 15.027 -4.515 -4.865 1.00 6.51 O ATOM 742 CB VAL A1157 15.631 -4.606 -8.177 1.00 6.12 C ATOM 743 CG1 VAL A1157 14.727 -5.784 -7.856 1.00 7.45 C ATOM 744 CG2 VAL A1157 15.170 -3.941 -9.471 1.00 7.88 C ATOM 745 H VAL A1157 17.235 -2.568 -8.088 1.00 0.00 H ATOM 746 N TRP A1158 17.212 -4.540 -5.410 1.00 6.29 N ATOM 747 CA TRP A1158 17.606 -5.196 -4.173 1.00 6.43 C ATOM 748 C TRP A1158 17.439 -4.286 -2.968 1.00 7.44 C ATOM 749 O TRP A1158 17.130 -4.768 -1.873 1.00 7.94 O ATOM 750 CB TRP A1158 19.016 -5.765 -4.323 1.00 7.67 C ATOM 751 CG TRP A1158 18.918 -7.168 -4.764 1.00 9.91 C ATOM 752 CD1 TRP A1158 18.802 -7.623 -6.038 1.00 20.29 C ATOM 753 CD2 TRP A1158 18.841 -8.310 -3.910 1.00 11.94 C ATOM 754 NE1 TRP A1158 18.688 -8.996 -6.036 1.00 19.60 N ATOM 755 CE2 TRP A1158 18.713 -9.441 -4.739 1.00 14.78 C ATOM 756 CE3 TRP A1158 18.907 -8.484 -2.526 1.00 14.32 C ATOM 757 CZ2 TRP A1158 18.636 -10.740 -4.225 1.00 12.42 C ATOM 758 CZ3 TRP A1158 18.827 -9.778 -2.012 1.00 16.48 C ATOM 759 CH2 TRP A1158 18.690 -10.881 -2.859 1.00 15.58 C ATOM 760 HE1 TRP A1158 18.598 -9.597 -6.880 1.00 0.00 H ATOM 761 H TRP A1158 17.942 -4.281 -6.104 1.00 0.00 H ATOM 762 N LEU A1159 17.618 -2.979 -3.142 1.00 6.77 N ATOM 763 CA LEU A1159 17.305 -2.038 -2.073 1.00 7.62 C ATOM 764 C LEU A1159 15.834 -2.129 -1.691 1.00 6.66 C ATOM 765 O LEU A1159 15.481 -2.149 -0.505 1.00 7.77 O ATOM 766 CB LEU A1159 17.654 -0.617 -2.524 1.00 8.16 C ATOM 767 CG LEU A1159 17.296 0.522 -1.570 1.00 7.98 C ATOM 768 CD1 LEU A1159 17.985 0.362 -0.213 1.00 10.68 C ATOM 769 CD2 LEU A1159 17.650 1.860 -2.202 1.00 11.28 C ATOM 770 H LEU A1159 17.985 -2.625 -4.049 1.00 0.00 H ATOM 771 N MET A1160 14.958 -2.196 -2.687 1.00 6.21 N ATOM 772 CA MET A1160 13.532 -2.351 -2.424 1.00 7.05 C ATOM 773 C MET A1160 13.261 -3.615 -1.617 1.00 6.50 C ATOM 774 O MET A1160 12.492 -3.591 -0.645 1.00 6.72 O ATOM 775 CB MET A1160 12.777 -2.378 -3.753 1.00 6.96 C ATOM 776 CG MET A1160 11.282 -2.580 -3.634 1.00 8.07 C ATOM 777 SD MET A1160 10.461 -2.657 -5.240 1.00 8.28 S ATOM 778 CE MET A1160 10.993 -4.279 -5.789 1.00 17.19 C ATOM 779 H MET A1160 15.294 -2.137 -3.669 1.00 0.00 H ATOM 780 N PHE A1161 13.882 -4.733 -2.006 1.00 6.60 N ATOM 781 CA PHE A1161 13.692 -5.986 -1.276 1.00 6.80 C ATOM 782 C PHE A1161 14.241 -5.886 0.140 1.00 6.91 C ATOM 783 O PHE A1161 13.590 -6.312 1.105 1.00 6.94 O ATOM 784 CB PHE A1161 14.407 -7.144 -1.983 1.00 7.28 C ATOM 785 CG PHE A1161 13.891 -7.474 -3.365 1.00 7.92 C ATOM 786 CD1 PHE A1161 12.599 -7.187 -3.758 1.00 7.57 C ATOM 787 CD2 PHE A1161 14.732 -8.114 -4.270 1.00 7.77 C ATOM 788 CE1 PHE A1161 12.158 -7.522 -5.045 1.00 8.50 C ATOM 789 CE2 PHE A1161 14.295 -8.450 -5.545 1.00 10.33 C ATOM 790 CZ PHE A1161 13.019 -8.162 -5.923 1.00 8.22 C ATOM 791 H PHE A1161 14.507 -4.712 -2.837 1.00 0.00 H ATOM 792 N ASN A1162 15.462 -5.378 0.280 1.00 6.32 N ATOM 793 CA ASN A1162 16.072 -5.330 1.600 1.00 6.76 C ATOM 794 C ASN A1162 15.296 -4.414 2.536 1.00 7.78 C ATOM 795 O ASN A1162 15.156 -4.714 3.725 1.00 7.79 O ATOM 796 CB ASN A1162 17.539 -4.920 1.496 1.00 8.98 C ATOM 797 CG ASN A1162 18.436 -6.074 1.123 1.00 13.73 C ATOM 798 OD1 ASN A1162 18.235 -7.198 1.585 1.00 18.02 O ATOM 799 ND2 ASN A1162 19.456 -5.800 0.313 1.00 16.58 N ATOM 800 HD22 ASN A1162 19.585 -4.835 -0.052 1.00 0.00 H ATOM 801 HD21 ASN A1162 20.124 -6.551 0.046 1.00 0.00 H ATOM 802 H ASN A1162 15.977 -5.018 -0.548 1.00 0.00 H ATOM 803 N ASN A1163 14.762 -3.302 2.022 1.00 7.09 N ATOM 804 CA ASN A1163 13.922 -2.448 2.856 1.00 7.12 C ATOM 805 C ASN A1163 12.728 -3.221 3.384 1.00 7.41 C ATOM 806 O ASN A1163 12.357 -3.079 4.554 1.00 7.80 O ATOM 807 CB ASN A1163 13.416 -1.234 2.068 1.00 7.04 C ATOM 808 CG ASN A1163 14.502 -0.222 1.761 1.00 8.43 C ATOM 809 OD1 ASN A1163 15.564 -0.214 2.382 1.00 9.04 O ATOM 810 ND2 ASN A1163 14.218 0.672 0.814 1.00 9.36 N ATOM 811 HD22 ASN A1163 13.307 0.628 0.314 1.00 0.00 H ATOM 812 HD21 ASN A1163 14.907 1.413 0.575 1.00 0.00 H ATOM 813 H ASN A1163 14.944 -3.046 1.031 1.00 0.00 H ATOM 814 N ALA A1164 12.099 -4.029 2.529 1.00 6.56 N ATOM 815 CA ALA A1164 10.892 -4.731 2.940 1.00 7.51 C ATOM 816 C ALA A1164 11.206 -5.843 3.929 1.00 7.21 C ATOM 817 O ALA A1164 10.459 -6.050 4.888 1.00 7.37 O ATOM 818 CB ALA A1164 10.143 -5.275 1.722 1.00 7.56 C ATOM 819 H ALA A1164 12.472 -4.158 1.567 1.00 0.00 H ATOM 820 N TRP A1165 12.299 -6.573 3.719 1.00 7.12 N ATOM 821 CA TRP A1165 12.680 -7.603 4.678 1.00 6.97 C ATOM 822 C TRP A1165 13.116 -6.998 6.004 1.00 8.54 C ATOM 823 O TRP A1165 12.942 -7.627 7.053 1.00 9.82 O ATOM 824 CB TRP A1165 13.810 -8.454 4.115 1.00 7.57 C ATOM 825 CG TRP A1165 13.420 -9.459 3.067 1.00 7.47 C ATOM 826 CD1 TRP A1165 12.288 -10.231 3.018 1.00 8.36 C ATOM 827 CD2 TRP A1165 14.204 -9.823 1.933 1.00 6.64 C ATOM 828 NE1 TRP A1165 12.326 -11.052 1.911 1.00 7.10 N ATOM 829 CE2 TRP A1165 13.498 -10.821 1.230 1.00 6.81 C ATOM 830 CE3 TRP A1165 15.446 -9.398 1.447 1.00 7.82 C ATOM 831 CZ2 TRP A1165 13.995 -11.386 0.048 1.00 8.30 C ATOM 832 CZ3 TRP A1165 15.939 -9.953 0.282 1.00 7.84 C ATOM 833 CH2 TRP A1165 15.218 -10.939 -0.402 1.00 8.01 C ATOM 834 HE1 TRP A1165 11.590 -11.733 1.636 1.00 0.00 H ATOM 835 H TRP A1165 12.880 -6.409 2.872 1.00 0.00 H ATOM 836 N LEU A1166 13.694 -5.797 5.975 1.00 7.30 N ATOM 837 CA LEU A1166 14.101 -5.127 7.204 1.00 8.75 C ATOM 838 C LEU A1166 12.886 -4.647 7.987 1.00 8.27 C ATOM 839 O LEU A1166 12.772 -4.901 9.192 1.00 10.15 O ATOM 840 CB LEU A1166 15.024 -3.952 6.873 1.00 10.11 C ATOM 841 CG LEU A1166 15.349 -3.030 8.050 1.00 11.76 C ATOM 842 CD1 LEU A1166 16.243 -3.736 9.066 1.00 17.75 C ATOM 843 CD2 LEU A1166 15.991 -1.745 7.555 1.00 14.80 C ATOM 844 H LEU A1166 13.857 -5.330 5.060 1.00 0.00 H ATOM 845 N TYR A1167 11.964 -3.957 7.316 1.00 7.72 N ATOM 846 CA TYR A1167 10.879 -3.275 8.017 1.00 8.03 C ATOM 847 C TYR A1167 9.798 -4.242 8.488 1.00 7.78 C ATOM 848 O TYR A1167 9.293 -4.121 9.610 1.00 10.46 O ATOM 849 CB TYR A1167 10.263 -2.158 7.156 1.00 7.76 C ATOM 850 CG TYR A1167 9.172 -1.491 7.950 1.00 7.81 C ATOM 851 CD1 TYR A1167 9.488 -0.589 8.956 1.00 9.05 C ATOM 852 CD2 TYR A1167 7.835 -1.843 7.773 1.00 8.93 C ATOM 853 CE1 TYR A1167 8.499 -0.019 9.743 1.00 8.84 C ATOM 854 CE2 TYR A1167 6.835 -1.280 8.553 1.00 8.27 C ATOM 855 CZ TYR A1167 7.178 -0.375 9.539 1.00 9.19 C ATOM 856 OH TYR A1167 6.190 0.179 10.330 1.00 10.34 O ATOM 857 HH TYR A1167 6.601 0.802 10.981 1.00 0.00 H ATOM 858 H TYR A1167 12.018 -3.903 6.279 1.00 0.00 H ATOM 859 N ASN A1168 9.411 -5.183 7.643 1.00 7.12 N ATOM 860 CA ASN A1168 8.224 -5.992 7.882 1.00 8.41 C ATOM 861 C ASN A1168 8.582 -7.273 8.622 1.00 8.34 C ATOM 862 O ASN A1168 9.694 -7.793 8.497 1.00 8.51 O ATOM 863 CB ASN A1168 7.561 -6.317 6.542 1.00 8.18 C ATOM 864 CG ASN A1168 7.116 -5.072 5.815 1.00 7.53 C ATOM 865 OD1 ASN A1168 6.052 -4.524 6.095 1.00 8.85 O ATOM 866 ND2 ASN A1168 7.953 -4.591 4.893 1.00 7.26 N ATOM 867 HD22 ASN A1168 8.843 -5.088 4.689 1.00 0.00 H ATOM 868 HD21 ASN A1168 7.715 -3.719 4.379 1.00 0.00 H ATOM 869 H ASN A1168 9.971 -5.350 6.783 1.00 0.00 H ATOM 870 N ARG A1169 7.632 -7.772 9.412 1.00 8.43 N ATOM 871 CA ARG A1169 7.850 -9.011 10.147 1.00 8.49 C ATOM 872 C ARG A1169 7.809 -10.210 9.205 1.00 8.24 C ATOM 873 O ARG A1169 7.138 -10.195 8.173 1.00 7.70 O ATOM 874 CB ARG A1169 6.765 -9.190 11.208 1.00 10.76 C ATOM 875 CG ARG A1169 6.638 -8.046 12.204 1.00 14.25 C ATOM 876 CD ARG A1169 7.693 -8.085 13.281 1.00 20.94 C ATOM 877 NE ARG A1169 7.159 -7.468 14.491 1.00 34.43 N ATOM 878 CZ ARG A1169 7.896 -6.895 15.433 1.00 28.38 C ATOM 879 NH1 ARG A1169 7.310 -6.361 16.496 1.00 37.35 N ATOM 880 NH2 ARG A1169 9.214 -6.842 15.308 1.00 34.48 N ATOM 881 HE ARG A1169 6.128 -7.478 14.624 1.00 0.00 H ATOM 882 HH12 ARG A1169 7.886 -5.911 17.236 1.00 0.00 H ATOM 883 HH11 ARG A1169 6.275 -6.392 16.590 1.00 0.00 H ATOM 884 HH22 ARG A1169 9.789 -6.392 16.049 1.00 0.00 H ATOM 885 HH21 ARG A1169 9.674 -7.250 14.469 1.00 0.00 H ATOM 886 H ARG A1169 6.725 -7.272 9.505 1.00 0.00 H ATOM 887 N LYS A1170 8.514 -11.272 9.597 1.00 8.39 N ATOM 888 CA LYS A1170 8.641 -12.458 8.753 1.00 8.61 C ATOM 889 C LYS A1170 7.293 -13.111 8.460 1.00 8.20 C ATOM 890 O LYS A1170 7.146 -13.785 7.434 1.00 9.60 O ATOM 891 CB LYS A1170 9.603 -13.453 9.410 1.00 11.66 C ATOM 892 CG LYS A1170 9.868 -14.733 8.615 1.00 23.23 C ATOM 893 CD LYS A1170 10.915 -15.613 9.303 1.00 23.23 C ATOM 894 CE LYS A1170 11.132 -16.925 8.552 1.00 24.78 C ATOM 895 NZ LYS A1170 12.189 -17.758 9.191 1.00 24.26 N ATOM 896 HZ1 LYS A1170 13.086 -17.232 9.198 1.00 0.00 H ATOM 897 HZ2 LYS A1170 11.909 -17.982 10.167 1.00 0.00 H ATOM 898 HZ3 LYS A1170 12.307 -18.640 8.652 1.00 0.00 H ATOM 899 H LYS A1170 8.984 -11.256 10.525 1.00 0.00 H ATOM 900 N THR A1171 6.302 -12.928 9.337 1.00 7.84 N ATOM 901 CA THR A1171 4.972 -13.501 9.148 1.00 8.89 C ATOM 902 C THR A1171 4.063 -12.643 8.279 1.00 8.25 C ATOM 903 O THR A1171 2.943 -13.072 7.976 1.00 10.24 O ATOM 904 CB THR A1171 4.295 -13.700 10.502 1.00 9.40 C ATOM 905 OG1 THR A1171 4.369 -12.479 11.248 1.00 9.30 O ATOM 906 CG2 THR A1171 4.982 -14.815 11.278 1.00 10.88 C ATOM 907 HG1 THR A1171 3.909 -11.759 10.748 1.00 0.00 H ATOM 908 H THR A1171 6.484 -12.356 10.186 1.00 0.00 H ATOM 909 N SER A1172 4.497 -11.449 7.886 1.00 7.65 N ATOM 910 CA SER A1172 3.593 -10.499 7.259 1.00 8.50 C ATOM 911 C SER A1172 3.440 -10.760 5.765 1.00 7.45 C ATOM 912 O SER A1172 4.309 -11.348 5.105 1.00 7.67 O ATOM 913 CB SER A1172 4.092 -9.071 7.470 1.00 8.86 C ATOM 914 OG SER A1172 5.277 -8.817 6.726 1.00 7.66 O ATOM 915 HG SER A1172 5.987 -9.443 7.015 1.00 0.00 H ATOM 916 H SER A1172 5.495 -11.192 8.029 1.00 0.00 H ATOM 917 N ARG A1173 2.324 -10.271 5.222 1.00 7.15 N ATOM 918 CA ARG A1173 2.097 -10.342 3.781 1.00 7.88 C ATOM 919 C ARG A1173 3.227 -9.681 3.004 1.00 7.41 C ATOM 920 O ARG A1173 3.741 -10.246 2.033 1.00 7.83 O ATOM 921 CB ARG A1173 0.759 -9.693 3.419 1.00 8.38 C ATOM 922 CG ARG A1173 -0.465 -10.433 3.955 1.00 9.03 C ATOM 923 CD ARG A1173 -1.722 -9.581 3.844 1.00 9.22 C ATOM 924 NE ARG A1173 -1.549 -8.379 4.647 1.00 10.10 N ATOM 925 CZ ARG A1173 -2.207 -7.244 4.466 1.00 12.45 C ATOM 926 NH1 ARG A1173 -3.127 -7.140 3.516 1.00 14.45 N ATOM 927 NH2 ARG A1173 -1.935 -6.207 5.246 1.00 14.17 N ATOM 928 HE ARG A1173 -0.856 -8.414 5.422 1.00 0.00 H ATOM 929 HH12 ARG A1173 -3.638 -6.244 3.383 1.00 0.00 H ATOM 930 HH11 ARG A1173 -3.338 -7.955 2.905 1.00 0.00 H ATOM 931 HH22 ARG A1173 -2.444 -5.310 5.115 1.00 0.00 H ATOM 932 HH21 ARG A1173 -1.212 -6.291 5.989 1.00 0.00 H ATOM 933 H ARG A1173 1.606 -9.833 5.833 1.00 0.00 H ATOM 934 N VAL A1174 3.617 -8.468 3.398 1.00 6.54 N ATOM 935 CA VAL A1174 4.601 -7.745 2.602 1.00 7.22 C ATOM 936 C VAL A1174 5.925 -8.497 2.574 1.00 6.78 C ATOM 937 O VAL A1174 6.603 -8.547 1.541 1.00 7.22 O ATOM 938 CB VAL A1174 4.752 -6.289 3.086 1.00 6.82 C ATOM 939 CG1 VAL A1174 5.923 -5.620 2.382 1.00 9.73 C ATOM 940 CG2 VAL A1174 3.466 -5.507 2.826 1.00 10.21 C ATOM 941 H VAL A1174 3.224 -8.043 4.262 1.00 0.00 H ATOM 942 N TYR A1175 6.339 -9.065 3.706 1.00 5.94 N ATOM 943 CA TYR A1175 7.599 -9.810 3.739 1.00 6.47 C ATOM 944 C TYR A1175 7.545 -11.026 2.821 1.00 6.74 C ATOM 945 O TYR A1175 8.480 -11.282 2.045 1.00 7.28 O ATOM 946 CB TYR A1175 7.883 -10.224 5.177 1.00 6.76 C ATOM 947 CG TYR A1175 9.227 -10.844 5.459 1.00 5.90 C ATOM 948 CD1 TYR A1175 9.522 -12.154 5.081 1.00 6.66 C ATOM 949 CD2 TYR A1175 10.184 -10.143 6.178 1.00 6.68 C ATOM 950 CE1 TYR A1175 10.741 -12.731 5.398 1.00 8.48 C ATOM 951 CE2 TYR A1175 11.401 -10.706 6.494 1.00 8.77 C ATOM 952 CZ TYR A1175 11.675 -11.996 6.103 1.00 8.78 C ATOM 953 OH TYR A1175 12.889 -12.550 6.440 1.00 10.39 O ATOM 954 HH TYR A1175 12.982 -12.563 7.425 1.00 0.00 H ATOM 955 H TYR A1175 5.765 -8.979 4.569 1.00 0.00 H ATOM 956 N LYS A1176 6.466 -11.804 2.906 1.00 6.54 N ATOM 957 CA LYS A1176 6.367 -12.989 2.063 1.00 7.17 C ATOM 958 C LYS A1176 6.200 -12.621 0.598 1.00 7.86 C ATOM 959 O LYS A1176 6.735 -13.316 -0.279 1.00 7.81 O ATOM 960 CB LYS A1176 5.243 -13.879 2.567 1.00 9.50 C ATOM 961 CG LYS A1176 5.546 -14.438 3.955 1.00 10.79 C ATOM 962 CD LYS A1176 4.393 -15.242 4.518 1.00 12.88 C ATOM 963 CE LYS A1176 4.686 -15.729 5.931 1.00 15.11 C ATOM 964 NZ LYS A1176 5.821 -16.679 5.986 1.00 21.59 N ATOM 965 HZ1 LYS A1176 5.604 -17.511 5.401 1.00 0.00 H ATOM 966 HZ2 LYS A1176 6.678 -16.214 5.625 1.00 0.00 H ATOM 967 HZ3 LYS A1176 5.975 -16.977 6.971 1.00 0.00 H ATOM 968 H LYS A1176 5.700 -11.567 3.569 1.00 0.00 H ATOM 969 N PHE A1177 5.496 -11.527 0.313 1.00 6.40 N ATOM 970 CA PHE A1177 5.392 -11.064 -1.067 1.00 6.37 C ATOM 971 C PHE A1177 6.756 -10.631 -1.598 1.00 6.72 C ATOM 972 O PHE A1177 7.111 -10.928 -2.746 1.00 7.62 O ATOM 973 CB PHE A1177 4.400 -9.908 -1.173 1.00 6.08 C ATOM 974 CG PHE A1177 2.946 -10.291 -0.984 1.00 7.32 C ATOM 975 CD1 PHE A1177 2.533 -11.606 -0.781 1.00 7.56 C ATOM 976 CD2 PHE A1177 1.985 -9.296 -1.040 1.00 9.71 C ATOM 977 CE1 PHE A1177 1.183 -11.898 -0.614 1.00 9.55 C ATOM 978 CE2 PHE A1177 0.645 -9.587 -0.878 1.00 9.97 C ATOM 979 CZ PHE A1177 0.247 -10.887 -0.671 1.00 10.26 C ATOM 980 H PHE A1177 5.020 -11.002 1.074 1.00 0.00 H ATOM 981 N CYS A1178 7.538 -9.936 -0.769 1.00 5.84 N ATOM 982 CA CYS A1178 8.904 -9.576 -1.131 1.00 6.64 C ATOM 983 C CYS A1178 9.709 -10.807 -1.523 1.00 7.03 C ATOM 984 O CYS A1178 10.405 -10.813 -2.549 1.00 7.01 O ATOM 985 CB CYS A1178 9.577 -8.872 0.047 1.00 5.74 C ATOM 986 SG CYS A1178 11.252 -8.390 -0.358 1.00 7.29 S ATOM 987 H CYS A1178 7.164 -9.644 0.157 1.00 0.00 H ATOM 988 N SER A1179 9.641 -11.861 -0.708 1.00 6.89 N ATOM 989 CA SER A1179 10.411 -13.062 -1.005 1.00 7.61 C ATOM 990 C SER A1179 10.039 -13.642 -2.364 1.00 8.10 C ATOM 991 O SER A1179 10.912 -14.096 -3.113 1.00 8.72 O ATOM 992 CB SER A1179 10.226 -14.088 0.105 1.00 7.83 C ATOM 993 OG SER A1179 10.781 -13.564 1.299 1.00 7.49 O ATOM 994 HG SER A1179 10.668 -14.221 2.030 1.00 0.00 H ATOM 995 H SER A1179 9.039 -11.826 0.139 1.00 0.00 H ATOM 996 N LYS A1180 8.750 -13.636 -2.704 1.00 7.08 N ATOM 997 CA LYS A1180 8.329 -14.117 -4.014 1.00 7.66 C ATOM 998 C LYS A1180 8.897 -13.243 -5.123 1.00 7.61 C ATOM 999 O LYS A1180 9.420 -13.749 -6.122 1.00 8.12 O ATOM 1000 CB LYS A1180 6.801 -14.161 -4.081 1.00 10.01 C ATOM 1001 CG LYS A1180 6.258 -14.522 -5.460 1.00 13.29 C ATOM 1002 CD LYS A1180 6.690 -15.909 -5.885 1.00 17.89 C ATOM 1003 CE LYS A1180 6.056 -16.285 -7.214 1.00 24.56 C ATOM 1004 NZ LYS A1180 6.341 -17.696 -7.585 1.00 32.71 N ATOM 1005 HZ1 LYS A1180 7.369 -17.831 -7.664 1.00 0.00 H ATOM 1006 HZ2 LYS A1180 5.962 -18.329 -6.852 1.00 0.00 H ATOM 1007 HZ3 LYS A1180 5.891 -17.911 -8.497 1.00 0.00 H ATOM 1008 H LYS A1180 8.040 -13.286 -2.030 1.00 0.00 H ATOM 1009 N LEU A1181 8.812 -11.922 -4.967 1.00 6.64 N ATOM 1010 CA LEU A1181 9.388 -11.040 -5.978 1.00 6.46 C ATOM 1011 C LEU A1181 10.878 -11.277 -6.152 1.00 7.37 C ATOM 1012 O LEU A1181 11.393 -11.211 -7.276 1.00 7.06 O ATOM 1013 CB LEU A1181 9.148 -9.580 -5.624 1.00 7.56 C ATOM 1014 CG LEU A1181 7.698 -9.101 -5.592 1.00 8.30 C ATOM 1015 CD1 LEU A1181 7.684 -7.587 -5.398 1.00 14.37 C ATOM 1016 CD2 LEU A1181 6.902 -9.496 -6.836 1.00 9.53 C ATOM 1017 H LEU A1181 8.339 -11.523 -4.131 1.00 0.00 H ATOM 1018 N ALA A1182 11.595 -11.536 -5.058 1.00 6.78 N ATOM 1019 CA ALA A1182 13.034 -11.755 -5.162 1.00 6.68 C ATOM 1020 C ALA A1182 13.341 -13.026 -5.944 1.00 6.93 C ATOM 1021 O ALA A1182 14.317 -13.077 -6.705 1.00 7.24 O ATOM 1022 CB ALA A1182 13.672 -11.786 -3.773 1.00 7.46 C ATOM 1023 H ALA A1182 11.128 -11.582 -4.130 1.00 0.00 H ATOM 1024 N GLU A1183 12.529 -14.063 -5.769 1.00 7.30 N ATOM 1025 CA GLU A1183 12.704 -15.277 -6.557 1.00 7.98 C ATOM 1026 C GLU A1183 12.470 -15.000 -8.038 1.00 7.92 C ATOM 1027 O GLU A1183 13.264 -15.405 -8.899 1.00 8.44 O ATOM 1028 CB GLU A1183 11.720 -16.319 -6.044 1.00 10.07 C ATOM 1029 CG GLU A1183 11.813 -17.668 -6.698 1.00 14.48 C ATOM 1030 CD GLU A1183 10.808 -18.623 -6.095 1.00 23.56 C ATOM 1031 OE1 GLU A1183 9.608 -18.494 -6.405 1.00 33.46 O ATOM 1032 OE2 GLU A1183 11.214 -19.473 -5.278 1.00 34.77 O ATOM 1033 H GLU A1183 11.764 -14.008 -5.066 1.00 0.00 H ATOM 1034 N VAL A1184 11.378 -14.301 -8.353 1.00 6.77 N ATOM 1035 CA VAL A1184 11.063 -13.976 -9.744 1.00 7.62 C ATOM 1036 C VAL A1184 12.166 -13.122 -10.354 1.00 8.08 C ATOM 1037 O VAL A1184 12.632 -13.376 -11.475 1.00 7.99 O ATOM 1038 CB VAL A1184 9.685 -13.295 -9.838 1.00 8.17 C ATOM 1039 CG1 VAL A1184 9.428 -12.775 -11.255 1.00 11.23 C ATOM 1040 CG2 VAL A1184 8.582 -14.257 -9.407 1.00 9.65 C ATOM 1041 H VAL A1184 10.740 -13.982 -7.596 1.00 0.00 H ATOM 1042 N PHE A1185 12.615 -12.102 -9.625 1.00 6.36 N ATOM 1043 CA PHE A1185 13.642 -11.229 -10.167 1.00 7.15 C ATOM 1044 C PHE A1185 14.920 -12.003 -10.463 1.00 6.87 C ATOM 1045 O PHE A1185 15.535 -11.820 -11.520 1.00 7.18 O ATOM 1046 CB PHE A1185 13.934 -10.073 -9.217 1.00 6.74 C ATOM 1047 CG PHE A1185 14.870 -9.065 -9.803 1.00 5.86 C ATOM 1048 CD1 PHE A1185 14.476 -8.299 -10.886 1.00 7.69 C ATOM 1049 CD2 PHE A1185 16.152 -8.910 -9.308 1.00 7.88 C ATOM 1050 CE1 PHE A1185 15.340 -7.372 -11.457 1.00 7.69 C ATOM 1051 CE2 PHE A1185 17.017 -7.989 -9.869 1.00 8.86 C ATOM 1052 CZ PHE A1185 16.605 -7.211 -10.936 1.00 8.28 C ATOM 1053 H PHE A1185 12.233 -11.931 -8.673 1.00 0.00 H ATOM 1054 N GLU A1186 15.359 -12.847 -9.525 1.00 6.77 N ATOM 1055 CA GLU A1186 16.570 -13.632 -9.742 1.00 7.73 C ATOM 1056 C GLU A1186 16.485 -14.411 -11.044 1.00 7.41 C ATOM 1057 O GLU A1186 17.448 -14.471 -11.818 1.00 8.20 O ATOM 1058 CB GLU A1186 16.741 -14.591 -8.569 1.00 9.46 C ATOM 1059 CG GLU A1186 17.668 -15.751 -8.824 1.00 10.48 C ATOM 1060 CD GLU A1186 17.719 -16.658 -7.626 1.00 11.14 C ATOM 1061 OE1 GLU A1186 17.298 -17.829 -7.714 1.00 12.55 O ATOM 1062 OE2 GLU A1186 18.152 -16.173 -6.563 1.00 9.15 O ATOM 1063 H GLU A1186 14.833 -12.945 -8.633 1.00 0.00 H ATOM 1064 N GLN A1187 15.332 -15.037 -11.289 1.00 8.02 N ATOM 1065 CA GLN A1187 15.141 -15.843 -12.490 1.00 9.00 C ATOM 1066 C GLN A1187 15.212 -15.000 -13.754 1.00 8.55 C ATOM 1067 O GLN A1187 15.807 -15.421 -14.753 1.00 9.62 O ATOM 1068 CB GLN A1187 13.796 -16.559 -12.399 1.00 11.53 C ATOM 1069 CG GLN A1187 13.754 -17.581 -11.279 1.00 14.23 C ATOM 1070 CD GLN A1187 12.366 -18.120 -11.013 1.00 19.95 C ATOM 1071 OE1 GLN A1187 11.384 -17.666 -11.602 1.00 27.40 O ATOM 1072 NE2 GLN A1187 12.277 -19.098 -10.117 1.00 23.19 N ATOM 1073 HE22 GLN A1187 13.134 -19.450 -9.644 1.00 0.00 H ATOM 1074 HE21 GLN A1187 11.350 -19.511 -9.889 1.00 0.00 H ATOM 1075 H GLN A1187 14.551 -14.948 -10.608 1.00 0.00 H ATOM 1076 N GLU A1188 14.594 -13.825 -13.744 1.00 7.93 N ATOM 1077 CA GLU A1188 14.505 -13.022 -14.958 1.00 8.95 C ATOM 1078 C GLU A1188 15.782 -12.249 -15.244 1.00 8.75 C ATOM 1079 O GLU A1188 16.124 -12.037 -16.409 1.00 8.49 O ATOM 1080 CB GLU A1188 13.340 -12.039 -14.848 1.00 11.67 C ATOM 1081 CG GLU A1188 11.979 -12.720 -14.732 1.00 15.06 C ATOM 1082 CD GLU A1188 11.666 -13.605 -15.927 1.00 26.02 C ATOM 1083 OE1 GLU A1188 11.925 -13.178 -17.075 1.00 27.82 O ATOM 1084 OE2 GLU A1188 11.168 -14.734 -15.721 1.00 30.93 O ATOM 1085 H GLU A1188 14.169 -13.474 -12.862 1.00 0.00 H ATOM 1086 N ILE A1189 16.502 -11.830 -14.208 1.00 6.85 N ATOM 1087 CA ILE A1189 17.625 -10.929 -14.411 1.00 6.60 C ATOM 1088 C ILE A1189 18.845 -11.663 -14.950 1.00 7.29 C ATOM 1089 O ILE A1189 19.634 -11.078 -15.694 1.00 7.71 O ATOM 1090 CB ILE A1189 17.931 -10.134 -13.127 1.00 6.99 C ATOM 1091 CG1 ILE A1189 18.860 -8.961 -13.422 1.00 8.18 C ATOM 1092 CG2 ILE A1189 18.567 -11.028 -12.054 1.00 7.84 C ATOM 1093 CD1 ILE A1189 18.277 -7.943 -14.391 1.00 9.14 C ATOM 1094 H ILE A1189 16.261 -12.148 -13.248 1.00 0.00 H ATOM 1095 N ASP A1190 19.026 -12.935 -14.601 1.00 7.92 N ATOM 1096 CA ASP A1190 20.248 -13.625 -14.999 1.00 9.08 C ATOM 1097 C ASP A1190 20.422 -13.724 -16.508 1.00 7.92 C ATOM 1098 O ASP A1190 21.490 -13.339 -17.009 1.00 8.64 O ATOM 1099 CB ASP A1190 20.342 -14.988 -14.310 1.00 11.56 C ATOM 1100 CG ASP A1190 21.619 -15.723 -14.662 1.00 19.90 C ATOM 1101 OD1 ASP A1190 22.699 -15.094 -14.677 1.00 17.00 O ATOM 1102 OD2 ASP A1190 21.539 -16.931 -14.948 1.00 31.01 O ATOM 1103 H ASP A1190 18.300 -13.434 -14.048 1.00 0.00 H ATOM 1104 N PRO A1191 19.459 -14.236 -17.283 1.00 7.89 N ATOM 1105 CA PRO A1191 19.683 -14.304 -18.737 1.00 9.00 C ATOM 1106 C PRO A1191 19.878 -12.942 -19.357 1.00 8.23 C ATOM 1107 O PRO A1191 20.641 -12.806 -20.324 1.00 8.82 O ATOM 1108 CB PRO A1191 18.423 -15.008 -19.269 1.00 9.88 C ATOM 1109 CG PRO A1191 17.400 -14.876 -18.160 1.00 10.42 C ATOM 1110 CD PRO A1191 18.198 -14.888 -16.887 1.00 9.97 C ATOM 1111 N VAL A1192 19.221 -11.923 -18.803 1.00 8.22 N ATOM 1112 CA VAL A1192 19.380 -10.569 -19.313 1.00 8.97 C ATOM 1113 C VAL A1192 20.797 -10.073 -19.062 1.00 8.41 C ATOM 1114 O VAL A1192 21.432 -9.480 -19.940 1.00 9.61 O ATOM 1115 CB VAL A1192 18.310 -9.641 -18.711 1.00 9.28 C ATOM 1116 CG1 VAL A1192 18.586 -8.193 -19.099 1.00 12.43 C ATOM 1117 CG2 VAL A1192 16.911 -10.072 -19.161 1.00 10.24 C ATOM 1118 H VAL A1192 18.587 -12.097 -17.997 1.00 0.00 H ATOM 1119 N MET A1193 21.322 -10.311 -17.860 1.00 8.53 N ATOM 1120 CA MET A1193 22.692 -9.906 -17.570 1.00 9.50 C ATOM 1121 C MET A1193 23.680 -10.618 -18.481 1.00 11.33 C ATOM 1122 O MET A1193 24.647 -10.008 -18.950 1.00 12.35 O ATOM 1123 CB MET A1193 23.025 -10.159 -16.100 1.00 11.09 C ATOM 1124 CG MET A1193 22.262 -9.285 -15.127 1.00 14.09 C ATOM 1125 SD MET A1193 22.525 -7.513 -15.324 1.00 18.72 S ATOM 1126 CE MET A1193 24.284 -7.484 -15.543 1.00 20.45 C ATOM 1127 H MET A1193 20.754 -10.786 -17.129 1.00 0.00 H ATOM 1128 N GLN A1194 23.454 -11.909 -18.749 1.00 9.97 N ATOM 1129 CA GLN A1194 24.327 -12.621 -19.681 1.00 12.62 C ATOM 1130 C GLN A1194 24.294 -11.971 -21.059 1.00 12.62 C ATOM 1131 O GLN A1194 25.325 -11.868 -21.736 1.00 16.39 O ATOM 1132 CB GLN A1194 23.927 -14.097 -19.764 1.00 11.51 C ATOM 1133 CG GLN A1194 23.993 -14.845 -18.430 1.00 14.71 C ATOM 1134 CD GLN A1194 25.339 -14.707 -17.748 1.00 22.20 C ATOM 1135 OE1 GLN A1194 26.384 -14.780 -18.396 1.00 26.37 O ATOM 1136 NE2 GLN A1194 25.324 -14.495 -16.436 1.00 27.57 N ATOM 1137 HE22 GLN A1194 24.418 -14.440 -15.928 1.00 0.00 H ATOM 1138 HE21 GLN A1194 26.218 -14.384 -15.917 1.00 0.00 H ATOM 1139 H GLN A1194 22.660 -12.405 -18.296 1.00 0.00 H ATOM 1140 N ALA A1195 23.121 -11.523 -21.494 1.00 11.05 N ATOM 1141 CA ALA A1195 23.033 -10.849 -22.780 1.00 11.58 C ATOM 1142 C ALA A1195 23.602 -9.441 -22.713 1.00 16.07 C ATOM 1143 O ALA A1195 24.012 -8.901 -23.751 1.00 18.69 O ATOM 1144 CB ALA A1195 21.583 -10.800 -23.244 1.00 14.31 C ATOM 1145 H ALA A1195 22.267 -11.654 -20.916 1.00 0.00 H ATOM 1146 N LEU A1196 23.451 -8.820 -21.553 1.00 17.49 N ATOM 1147 CA LEU A1196 23.732 -7.419 -21.110 1.00 31.13 C ATOM 1148 C LEU A1196 22.503 -6.347 -20.902 1.00 33.52 C ATOM 1149 O LEU A1196 22.004 -5.972 -19.811 1.00 27.90 O ATOM 1150 CB LEU A1196 24.628 -7.127 -22.095 1.00 34.54 C ATOM 1151 CG LEU A1196 25.843 -7.482 -21.332 1.00 34.21 C ATOM 1152 CD1 LEU A1196 26.505 -8.789 -21.365 1.00 28.88 C ATOM 1153 CD2 LEU A1196 26.706 -6.444 -21.806 1.00 35.63 C ATOM 1154 H LEU A1196 23.060 -9.425 -20.803 1.00 0.00 H TER 1155 LEU A1196 HETATM 1156 O HOH 1 14.665 11.254 -13.308 1.00 34.03 O HETATM 1157 O HOH 2 17.632 12.174 -15.920 1.00 37.17 O HETATM 1158 O HOH 3 33.653 0.640 -21.237 1.00 37.50 O HETATM 1159 O HOH 4 26.250 6.426 -13.122 1.00 29.30 O HETATM 1160 O HOH 5 6.589 -5.712 18.401 1.00 33.42 O HETATM 1161 O HOH 6 8.934 -17.734 -8.337 1.00 36.50 O HETATM 1162 O HOH 7 9.869 6.022 15.208 1.00 42.06 O HETATM 1163 O HOH 8 29.780 2.395 -18.645 1.00 28.12 O HETATM 1164 O HOH 9 19.762 9.560 -10.249 1.00 30.54 O HETATM 1165 O HOH 10 26.093 6.909 -29.862 1.00 38.94 O HETATM 1166 O HOH 11 3.754 -5.904 -16.264 1.00 33.92 O HETATM 1167 O HOH 12 27.796 -12.296 -21.110 1.00 38.81 O HETATM 1168 O HOH 13 0.628 -13.465 -10.287 1.00 17.10 O HETATM 1169 O HOH 14 26.412 -16.920 -19.859 1.00 42.21 O HETATM 1170 O HOH 15 -2.282 7.672 9.635 1.00 40.05 O HETATM 1171 O HOH 16 9.920 -1.434 2.670 1.00 8.89 O HETATM 1172 O HOH 17 26.751 5.417 -26.002 1.00 43.98 O HETATM 1173 O HOH 18 -4.769 -9.437 -6.288 1.00 12.93 O HETATM 1174 O HOH 19 10.481 -13.796 -19.190 1.00 44.18 O HETATM 1175 O HOH 20 3.778 1.663 -10.498 1.00 24.82 O HETATM 1176 O HOH 21 7.008 -1.884 -20.077 1.00 31.92 O HETATM 1177 O HOH 22 26.927 -2.074 -5.575 1.00 42.81 O HETATM 1178 O HOH 23 20.620 1.440 -5.136 1.00 16.28 O HETATM 1179 O HOH 24 8.832 -3.948 -20.812 1.00 19.42 O HETATM 1180 O HOH 25 8.224 6.140 -15.630 1.00 34.08 O HETATM 1181 O HOH 26 4.856 -19.117 5.479 1.00 20.31 O HETATM 1182 O HOH 27 22.520 -19.287 -14.160 1.00 27.46 O HETATM 1183 O HOH 28 -0.316 2.640 -7.193 1.00 34.86 O HETATM 1184 O HOH 29 -0.525 8.014 -0.917 1.00 30.70 O HETATM 1185 O HOH 30 8.113 -3.432 11.922 1.00 33.97 O HETATM 1186 O HOH 31 -0.426 -10.537 -13.980 1.00 31.43 O HETATM 1187 O HOH 32 5.019 -16.280 -10.765 1.00 36.43 O HETATM 1188 O HOH 33 10.107 -2.728 11.768 1.00 25.50 O HETATM 1189 O HOH 34 2.695 6.442 -2.575 1.00 20.18 O HETATM 1190 O HOH 35 12.146 -7.768 9.628 1.00 5.66 O HETATM 1191 O HOH 36 6.827 7.239 -7.977 1.00 25.74 O HETATM 1192 O HOH 37 19.227 4.271 -17.381 1.00 15.81 O HETATM 1193 O HOH 38 3.895 -5.346 7.497 1.00 9.97 O HETATM 1194 O HOH 39 16.246 -11.207 -6.371 1.00 19.95 O HETATM 1195 O HOH 40 20.013 -17.860 -5.543 1.00 10.25 O HETATM 1196 O HOH 41 27.454 3.243 -19.434 1.00 17.91 O HETATM 1197 O HOH 42 14.869 -8.384 -21.470 1.00 15.24 O HETATM 1198 O HOH 43 6.875 -16.030 -0.336 1.00 12.44 O HETATM 1199 O HOH 44 5.809 -12.065 13.517 1.00 17.82 O HETATM 1200 O HOH 45 30.561 -1.180 -18.038 1.00 34.26 O HETATM 1201 O HOH 46 26.180 0.171 -26.080 1.00 38.38 O HETATM 1202 O HOH 47 19.091 4.750 -5.631 1.00 15.75 O HETATM 1203 O HOH 48 2.471 -10.592 10.738 1.00 8.79 O HETATM 1204 O HOH 49 10.129 4.474 -3.014 1.00 11.63 O HETATM 1205 O HOH 50 6.380 0.270 -1.829 1.00 9.63 O HETATM 1206 O HOH 51 8.504 -1.373 13.546 1.00 19.07 O HETATM 1207 O HOH 52 -2.804 0.430 7.629 1.00 46.41 O HETATM 1208 O HOH 53 13.135 2.002 -29.040 1.00 12.83 O HETATM 1209 O HOH 54 10.994 1.366 0.356 1.00 10.82 O HETATM 1210 O HOH 55 8.420 -15.508 5.715 1.00 9.70 O HETATM 1211 O HOH 56 -2.091 -6.913 -11.846 1.00 20.67 O HETATM 1212 O HOH 57 8.849 -0.680 -1.856 1.00 12.65 O HETATM 1213 O HOH 58 14.357 -12.494 -18.465 1.00 22.40 O HETATM 1214 O HOH 59 16.325 5.978 -1.758 1.00 21.64 O HETATM 1215 O HOH 60 25.458 -4.986 -7.846 1.00 26.17 O HETATM 1216 O HOH 61 17.002 1.888 3.426 1.00 11.92 O HETATM 1217 O HOH 62 28.700 -2.813 -15.732 1.00 26.06 O HETATM 1218 O HOH 63 -0.358 -18.309 -5.104 1.00 25.18 O HETATM 1219 O HOH 64 21.515 2.138 -7.798 1.00 14.73 O HETATM 1220 O HOH 65 13.948 7.732 5.334 1.00 25.86 O HETATM 1221 O HOH 66 -4.314 -10.244 -11.648 1.00 37.88 O HETATM 1222 O HOH 67 -1.612 2.826 12.817 1.00 21.71 O HETATM 1223 O HOH 68 19.807 2.055 2.990 1.00 24.39 O HETATM 1224 O HOH 69 12.161 -4.436 -24.349 1.00 10.05 O HETATM 1225 O HOH 70 21.084 -2.227 -2.889 1.00 14.66 O HETATM 1226 O HOH 71 17.704 -1.830 3.068 1.00 15.92 O HETATM 1227 O HOH 72 7.028 5.443 -12.860 1.00 20.80 O HETATM 1228 O HOH 73 13.061 -15.535 -2.104 1.00 11.93 O HETATM 1229 O HOH 74 17.227 0.725 10.391 1.00 27.30 O HETATM 1230 O HOH 75 20.294 -3.247 -0.406 1.00 19.40 O HETATM 1231 O HOH 76 10.502 -1.750 -0.017 1.00 11.22 O HETATM 1232 O HOH 77 13.546 6.527 -22.195 1.00 27.33 O HETATM 1233 O HOH 78 17.383 -17.695 -14.424 1.00 11.05 O HETATM 1234 O HOH 79 20.900 4.651 -8.890 1.00 19.82 O HETATM 1235 O HOH 80 5.413 8.443 0.398 1.00 24.19 O HETATM 1236 O HOH 81 14.495 -17.883 -8.538 1.00 40.54 O HETATM 1237 O HOH 82 8.146 -8.563 -19.358 1.00 26.77 O HETATM 1238 O HOH 83 11.880 -10.526 -17.949 1.00 25.61 O HETATM 1239 O HOH 84 17.481 3.310 -19.235 1.00 18.71 O HETATM 1240 O HOH 85 6.496 -3.645 -24.269 1.00 40.66 O HETATM 1241 O HOH 86 14.248 -6.761 10.665 1.00 43.98 O HETATM 1242 O HOH 87 16.916 9.317 4.886 1.00 38.23 O HETATM 1243 O HOH 88 8.589 5.733 0.686 1.00 12.66 O HETATM 1244 O HOH 89 9.747 -15.306 3.236 1.00 23.34 O HETATM 1245 O HOH 90 13.761 10.550 -10.540 1.00 40.44 O HETATM 1246 O HOH 91 8.497 8.308 -16.779 1.00 41.49 O HETATM 1247 O HOH 92 13.068 -14.996 -18.892 1.00 39.60 O HETATM 1248 O HOH 93 10.103 -15.869 -13.353 1.00 31.57 O HETATM 1249 O HOH 94 -5.452 -8.158 -4.004 1.00 11.79 O HETATM 1250 O HOH 95 -0.695 -1.248 -5.609 1.00 22.50 O HETATM 1251 O HOH 96 7.774 7.396 8.620 1.00 14.75 O HETATM 1252 O HOH 97 21.771 9.250 -12.408 1.00 49.74 O HETATM 1253 O HOH 98 15.257 8.571 12.417 1.00 41.90 O HETATM 1254 O HOH 99 19.173 -4.075 -24.997 1.00 18.06 O HETATM 1255 O HOH 100 -1.924 -1.978 3.647 1.00 17.13 O HETATM 1256 O HOH 101 17.458 1.727 6.294 1.00 20.02 O HETATM 1257 O HOH 102 7.191 -13.719 -16.273 1.00 42.47 O HETATM 1258 O HOH 103 9.581 -17.694 -3.652 1.00 38.39 O HETATM 1259 O HOH 104 12.295 -19.987 7.389 1.00 35.51 O HETATM 1260 O HOH 105 5.100 -6.447 9.678 1.00 9.25 O HETATM 1261 O HOH 106 16.192 5.907 -20.927 1.00 23.74 O HETATM 1262 O HOH 107 12.758 -3.374 11.629 1.00 30.16 O HETATM 1263 O HOH 108 20.015 -9.455 1.845 1.00 21.57 O HETATM 1264 O HOH 109 17.602 12.503 -17.996 1.00 28.30 O HETATM 1265 O HOH 110 7.769 14.260 -16.431 1.00 41.62 O HETATM 1266 O HOH 111 31.032 0.244 -25.231 1.00 35.97 O HETATM 1267 O HOH 112 19.966 5.132 -26.130 1.00 13.49 O HETATM 1268 O HOH 113 -3.312 -4.372 -11.753 1.00 38.05 O HETATM 1269 O HOH 114 -1.094 10.629 2.772 1.00 31.59 O HETATM 1270 O HOH 115 -3.581 -3.887 4.592 1.00 24.84 O HETATM 1271 O HOH 116 26.472 -8.209 -17.531 1.00 39.35 O HETATM 1272 O HOH 117 9.834 -11.061 12.223 1.00 17.89 O HETATM 1273 O HOH 118 9.059 3.333 -0.778 1.00 10.88 O HETATM 1274 O HOH 119 -3.958 2.500 4.042 1.00 37.59 O HETATM 1275 O HOH 120 0.045 -13.283 7.460 1.00 32.71 O HETATM 1276 O HOH 121 16.191 6.427 13.335 1.00 42.00 O HETATM 1277 O HOH 122 22.708 4.787 -19.802 1.00 27.71 O HETATM 1278 O HOH 123 13.176 6.913 -3.622 1.00 26.25 O HETATM 1279 O HOH 124 6.230 -14.822 -13.744 1.00 42.51 O HETATM 1280 O HOH 125 16.044 5.805 -23.810 1.00 24.83 O HETATM 1281 O HOH 126 17.134 7.459 -6.615 1.00 28.51 O HETATM 1282 O HOH 127 13.317 -12.174 9.382 1.00 20.99 O HETATM 1283 O HOH 128 26.536 -4.087 -14.685 1.00 21.15 O HETATM 1284 O HOH 129 1.662 3.510 0.302 1.00 23.13 O HETATM 1285 O HOH 130 -1.879 -1.311 -8.438 1.00 21.67 O HETATM 1286 O HOH 131 14.647 -7.634 -23.842 1.00 30.29 O HETATM 1287 O HOH 132 25.832 4.261 -8.286 1.00 31.17 O HETATM 1288 O HOH 133 4.054 -13.378 -15.316 1.00 38.36 O HETATM 1289 O HOH 134 3.700 -7.035 -18.478 1.00 25.91 O HETATM 1290 O HOH 135 24.099 1.635 -7.041 1.00 28.51 O HETATM 1291 O HOH 136 3.779 9.930 4.964 1.00 51.72 O HETATM 1292 O HOH 137 20.654 7.328 -9.152 1.00 39.26 O HETATM 1293 O HOH 138 18.114 -19.683 -10.072 1.00 28.54 O HETATM 1294 O HOH 139 2.139 8.003 9.896 1.00 36.86 O HETATM 1295 O HOH 140 10.628 -20.379 8.520 1.00 41.65 O HETATM 1296 O HOH 141 20.517 10.193 -19.276 1.00 36.95 O HETATM 1297 O HOH 142 -2.033 -13.683 -10.802 1.00 24.51 O HETATM 1298 O HOH 143 16.864 8.147 -0.324 1.00 37.92 O HETATM 1299 O HOH 144 13.476 -20.850 -7.141 1.00 35.69 O HETATM 1300 O HOH 145 10.385 -6.549 11.528 1.00 23.61 O HETATM 1301 O HOH 146 7.551 2.062 -24.518 1.00 37.40 O HETATM 1302 O HOH 147 15.125 -8.385 9.410 1.00 41.62 O HETATM 1303 O HOH 148 2.371 0.557 -0.184 1.00 17.03 O HETATM 1304 O HOH 149 22.012 -7.865 0.823 1.00 26.06 O HETATM 1305 O HOH 150 8.692 -18.364 5.918 1.00 34.49 O HETATM 1306 O HOH 151 8.904 -16.952 -2.074 1.00 28.02 O HETATM 1307 O HOH 152 35.608 0.159 -19.709 1.00 41.97 O HETATM 1308 O HOH 153 28.308 6.945 -29.057 1.00 42.57 O HETATM 1309 O HOH 154 7.981 -14.036 -14.474 1.00 38.23 O HETATM 1310 O HOH 155 11.761 -10.298 10.590 1.00 25.61 O HETATM 1311 O HOH 156 6.798 6.785 15.189 1.00 18.60 O HETATM 1312 O HOH 157 0.114 -1.370 -12.724 1.00 35.63 O HETATM 1313 O HOH 158 22.954 -4.618 0.097 1.00 41.24 O HETATM 1314 O HOH 159 12.125 4.491 -28.524 1.00 18.99 O HETATM 1315 O HOH 160 18.449 -3.608 5.059 1.00 34.03 O HETATM 1316 O HOH 161 4.533 0.674 -19.463 1.00 47.17 O HETATM 1317 O HOH 162 26.288 6.394 -23.557 1.00 42.53 O HETATM 1318 O HOH 163 -6.137 -7.090 1.033 1.00 22.02 O HETATM 1319 O HOH 164 1.043 -3.292 -13.465 1.00 38.98 O HETATM 1320 O HOH 165 15.383 5.576 14.976 1.00 41.38 O HETATM 1321 O HOH 166 33.877 0.604 -17.864 1.00 42.46 O HETATM 1322 O HOH 167 17.294 -6.044 -25.505 1.00 29.95 O HETATM 1323 O HOH 168 9.644 8.619 -9.348 1.00 39.78 O HETATM 1324 O HOH 169 -2.774 -0.914 1.129 1.00 28.24 O HETATM 1325 O HOH 170 5.045 10.172 2.367 1.00 39.70 O HETATM 1326 O HOH 171 21.766 0.395 -2.984 1.00 22.84 O HETATM 1327 O HOH 172 20.795 4.178 -1.580 1.00 48.68 O HETATM 1328 O HOH 173 18.846 -18.199 -12.065 1.00 24.42 O HETATM 1329 O HOH 174 27.378 5.839 -19.846 1.00 33.35 O HETATM 1330 O HOH 175 15.731 -20.788 -11.208 1.00 30.05 O HETATM 1331 O HOH 176 -5.736 -4.144 -2.682 1.00 41.60 O HETATM 1332 O HOH 177 7.408 0.675 -20.733 1.00 31.89 O HETATM 1333 O HOH 178 7.881 8.462 -10.240 1.00 37.58 O HETATM 1334 O HOH 179 20.842 -16.636 -10.993 1.00 12.35 O HETATM 1335 O HOH 180 -1.907 1.556 -2.428 1.00 46.88 O HETATM 1336 O HOH 181 4.539 4.133 -12.470 1.00 37.38 O HETATM 1337 O HOH 182 10.686 7.158 -2.846 1.00 17.72 O HETATM 1338 O HOH 183 3.910 9.945 9.380 1.00 31.71 O HETATM 1339 O HOH 184 13.220 9.293 3.138 1.00 29.33 O HETATM 1340 O HOH 185 0.223 5.450 -1.516 1.00 27.79 O HETATM 1341 O HOH 186 4.749 -3.353 -25.162 1.00 42.29 O HETATM 1342 O HOH 187 19.835 8.112 -2.641 1.00 52.65 O HETATM 1343 O HOH 188 30.679 -3.511 -17.928 1.00 42.51 O HETATM 1344 O HOH 189 3.612 8.792 -1.719 1.00 42.71 O HETATM 1345 O HOH 190 24.065 0.776 -2.850 1.00 42.85 O HETATM 1346 O HOH 191 21.637 5.671 -5.950 1.00 38.56 O HETATM 1347 O HOH 192 13.787 -22.992 -9.171 1.00 43.96 O HETATM 1348 O HOH 193 21.256 0.682 1.584 1.00 31.28 O HETATM 1349 O HOH 194 18.591 5.558 -2.972 1.00 26.51 O HETATM 1350 O HOH 195 -7.406 -5.725 -0.954 1.00 28.02 O HETATM 1351 O HOH 196 20.043 -1.731 1.754 1.00 22.31 O HETATM 1352 O HOH 197 8.210 -17.071 1.812 1.00 15.71 O HETATM 1353 O HOH 198 -6.288 -5.721 -5.023 1.00 22.40 O HETATM 1354 O HOH 199 -1.279 1.291 -0.524 1.00 44.55 O HETATM 1355 O HOH 200 5.057 -6.063 -21.141 1.00 35.45 O HETATM 1356 O HOH 201 -2.620 -11.982 -12.963 1.00 27.56 O HETATM 1357 O HOH 202 -5.929 -9.045 -13.362 1.00 45.53 O HETATM 1358 O HOH 203 21.713 1.822 -0.644 1.00 28.91 O HETATM 1359 O HOH 204 2.835 -3.214 9.099 1.00 15.55 O HETATM 1360 O HOH 205 14.453 2.124 15.082 1.00 41.50 O HETATM 1361 O HOH 206 -3.526 -3.080 -3.123 1.00 34.34 O HETATM 1362 O HOH 207 1.082 0.526 -11.059 1.00 38.09 O HETATM 1363 O HOH 208 8.263 -13.653 13.434 1.00 34.56 O HETATM 1364 O HOH 209 16.928 14.430 -16.796 1.00 40.05 O HETATM 1365 O HOH 210 7.795 -6.519 -21.108 1.00 36.86 O HETATM 1366 O HOH 211 12.906 -8.792 -24.197 1.00 32.56 O HETATM 1367 O HOH 212 3.482 -0.700 -21.017 1.00 41.76 O HETATM 1368 O HOH 213 19.958 2.300 7.514 1.00 40.08 O HETATM 1369 O HOH 214 13.530 -10.382 -20.303 1.00 18.54 O HETATM 1370 O HOH 215 -0.686 1.069 -9.626 1.00 42.87 O HETATM 1371 O HOH 216 6.223 9.763 7.733 1.00 22.61 O HETATM 1372 O HOH 217 7.432 9.640 -0.742 1.00 30.77 O HETATM 1373 O HOH 218 -3.449 -0.127 5.108 1.00 32.53 O HETATM 1374 O HOH 219 2.025 7.121 -5.150 1.00 35.34 O HETATM 1375 O HOH 220 9.628 8.002 -0.403 1.00 17.79 O HETATM 1376 O HOH 221 14.778 7.949 -5.128 1.00 36.28 O HETATM 1377 O HOH 222 -1.694 4.270 -2.924 1.00 52.06 O HETATM 1378 O HOH 223 29.272 -9.080 -18.497 1.00 44.67 O HETATM 1379 O HOH 224 4.156 8.554 -6.310 1.00 40.38 O HETATM 1380 O HOH 225 -4.541 -2.549 -0.509 1.00 41.79 O HETATM 1381 O HOH 226 11.644 -10.699 -22.296 1.00 29.56 O HETATM 1382 O HOH 227 11.098 9.735 1.200 1.00 29.23 O HETATM 1383 O HOH 228 6.762 10.235 -3.499 1.00 44.98 O HETATM 1384 O HOH 229 20.104 -2.192 7.234 1.00 38.69 O HETATM 1385 C7 UNN A 230 2.996 -1.982 4.378 1.00 0.06 C HETATM 1386 C6 UNN A 230 4.243 -1.826 5.197 1.00 0.02 C HETATM 1387 C5 UNN A 230 5.316 -1.144 4.366 1.00 0.05 C HETATM 1388 N4 UNN A 230 5.317 -1.539 2.948 1.00 -0.27 N HETATM 1389 C2 UNN A 230 6.474 -2.025 2.446 1.00 0.18 C HETATM 1390 C1 UNN A 230 6.604 -2.431 0.995 1.00 0.03 C HETATM 1391 H3 UNN A 230 7.625 -2.796 0.806 1.00 0.05 H HETATM 1392 H4 UNN A 230 6.400 -1.562 0.351 1.00 0.05 H HETATM 1393 H5 UNN A 230 5.882 -3.230 0.772 1.00 0.05 H HETATM 1394 O3 UNN A 230 7.413 -2.154 3.216 1.00 -0.40 O HETATM 1395 C32 UNN A 230 4.077 -1.373 2.155 1.00 0.05 C HETATM 1396 C8 UNN A 230 2.902 -1.799 3.027 1.00 0.01 C HETATM 1397 C9 UNN A 230 1.561 -2.075 2.675 1.00 0.10 C HETATM 1398 N10 UNN A 230 0.902 -2.379 3.769 1.00 -0.23 N HETATM 1399 N11 UNN A 230 1.785 -2.339 4.840 1.00 -0.22 N HETATM 1400 C12 UNN A 230 1.407 -2.644 6.222 1.00 0.10 C HETATM 1401 C14 UNN A 230 0.382 -1.603 6.746 1.00 0.00 C HETATM 1402 C15 UNN A 230 -0.835 -2.475 7.156 1.00 0.05 C HETATM 1403 O16 UNN A 230 -0.735 -3.637 6.306 1.00 -0.38 O HETATM 1404 C17 UNN A 230 0.658 -3.986 6.275 1.00 0.08 C HETATM 1405 H11 UNN A 230 0.935 -4.548 7.179 1.00 0.06 H HETATM 1406 H12 UNN A 230 0.885 -4.590 5.384 1.00 0.06 H HETATM 1407 H9 UNN A 230 -1.778 -1.939 6.976 1.00 0.06 H HETATM 1408 H10 UNN A 230 -0.772 -2.760 8.217 1.00 0.06 H HETATM 1409 H7 UNN A 230 0.107 -0.889 5.956 1.00 0.03 H HETATM 1410 H8 UNN A 230 0.784 -1.056 7.611 1.00 0.03 H HETATM 1411 H6 UNN A 230 2.304 -2.667 6.859 1.00 0.07 H HETATM 1412 N18 UNN A 230 0.948 -2.041 1.414 1.00 -0.28 N HETATM 1413 C19 UNN A 230 0.164 -3.130 0.965 1.00 0.09 C HETATM 1414 C20 UNN A 230 -0.034 -4.298 1.703 1.00 -0.05 C HETATM 1415 C21 UNN A 230 -0.808 -5.336 1.193 1.00 -0.08 C HETATM 1416 C22 UNN A 230 -1.418 -5.233 -0.062 1.00 -0.05 C HETATM 1417 C23 UNN A 230 -1.217 -4.067 -0.799 1.00 -0.04 C HETATM 1418 C24 UNN A 230 -0.442 -3.037 -0.284 1.00 0.15 C HETATM 1419 F25 UNN A 230 -0.258 -1.916 -1.007 1.00 -0.19 F HETATM 1420 H15 UNN A 230 -1.668 -3.964 -1.779 1.00 0.05 H HETATM 1421 C26 UNN A 230 -2.244 -6.345 -0.637 1.00 -0.01 C HETATM 1422 C27 UNN A 230 -3.027 -6.283 -1.809 1.00 0.00 C HETATM 1423 N28 UNN A 230 -3.593 -7.451 -2.006 1.00 -0.22 N HETATM 1424 N29 UNN A 230 -3.192 -8.314 -0.995 1.00 -0.21 N HETATM 1425 C30 UNN A 230 -2.368 -7.626 -0.165 1.00 0.06 C HETATM 1426 H17 UNN A 230 -1.886 -8.025 0.727 1.00 0.10 H HETATM 1427 C31 UNN A 230 -3.622 -9.711 -0.890 1.00 0.06 C HETATM 1428 H18 UNN A 230 -4.291 -9.953 -1.729 1.00 0.06 H HETATM 1429 H19 UNN A 230 -4.156 -9.860 0.060 1.00 0.06 H HETATM 1430 H20 UNN A 230 -2.741 -10.369 -0.922 1.00 0.06 H HETATM 1431 H16 UNN A 230 -3.143 -5.408 -2.447 1.00 0.07 H HETATM 1432 H14 UNN A 230 -0.941 -6.239 1.778 1.00 0.05 H HETATM 1433 H13 UNN A 230 0.419 -4.397 2.683 1.00 0.05 H HETATM 1434 H25 UNN A 230 1.070 -1.216 0.809 1.00 0.20 H HETATM 1435 H21 UNN A 230 3.961 -0.320 1.860 1.00 0.06 H HETATM 1436 H22 UNN A 230 4.122 -2.003 1.255 1.00 0.06 H HETATM 1437 H23 UNN A 230 6.297 -1.395 4.795 1.00 0.05 H HETATM 1438 H24 UNN A 230 5.158 -0.057 4.422 1.00 0.05 H HETATM 1439 H1 UNN A 230 4.600 -2.817 5.513 1.00 0.05 H HETATM 1440 H2 UNN A 230 4.024 -1.215 6.085 1.00 0.05 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1385 1386 1396 1399 CONECT 1386 1385 1387 1439 1440 CONECT 1387 1386 1388 1437 1438 CONECT 1388 1387 1389 1395 CONECT 1389 1388 1390 1394 CONECT 1390 1389 1391 1392 1393 CONECT 1391 1390 CONECT 1392 1390 CONECT 1393 1390 CONECT 1394 1389 CONECT 1395 1388 1396 1435 1436 CONECT 1396 1385 1395 1397 CONECT 1397 1396 1398 1412 CONECT 1398 1397 1399 CONECT 1399 1385 1398 1400 CONECT 1400 1399 1401 1404 1411 CONECT 1401 1400 1402 1409 1410 CONECT 1402 1401 1403 1407 1408 CONECT 1403 1402 1404 CONECT 1404 1400 1403 1405 1406 CONECT 1405 1404 CONECT 1406 1404 CONECT 1407 1402 CONECT 1408 1402 CONECT 1409 1401 CONECT 1410 1401 CONECT 1411 1400 CONECT 1412 1397 1413 1434 CONECT 1413 1412 1414 1418 CONECT 1414 1413 1415 1433 CONECT 1415 1414 1416 1432 CONECT 1416 1415 1417 1421 CONECT 1417 1416 1418 1420 CONECT 1418 1413 1417 1419 CONECT 1419 1418 CONECT 1420 1417 CONECT 1421 1416 1422 1425 CONECT 1422 1421 1423 1431 CONECT 1423 1422 1424 CONECT 1424 1423 1425 1427 CONECT 1425 1421 1424 1426 CONECT 1426 1425 CONECT 1427 1424 1428 1429 1430 CONECT 1428 1427 CONECT 1429 1427 CONECT 1430 1427 CONECT 1431 1422 CONECT 1432 1415 CONECT 1433 1414 CONECT 1434 1412 CONECT 1435 1395 CONECT 1436 1395 CONECT 1437 1387 CONECT 1438 1387 CONECT 1439 1386 CONECT 1440 1386 MASTER 0 0 0 0 0 0 0 0 1439 1 60 9 END
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Structure:
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Related entries of code: 5ktx
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%
5j0d
RCSB PDB
PDBbind
119aa, >5J0D_1|Chain... at 98%
5ktu
RCSB PDB
PDBbind
118aa, >5KTU_1|Chains... at 98%
5ktw
RCSB PDB
PDBbind
114aa, >5KTW_1|Chains... 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
5ku3
RCSB PDB
PDBbind
6XH
Entry Information
PDB ID
5ktx
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
bromodomain of human CREBBP (CBP bromodomain)
Ligand Name
6XH
EC.Number
E.C.2.3.1.48
Resolution
1.27(Å)
Affinity (Kd/Ki/IC50)
IC50=0.02uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J. Med. Chem. Vol. 59: pp. 10549-10563
Ligand Properties
Formula
C
2
2
H
2
5
FN
6
O
2
Molecular Weight
424.471
Exact Mass
424.202
No. of atoms
56
No. of bonds
60
Polar Surface Area
77.21
LOGP Value
1.46 (
Computed with XLOGP3
)
3.04 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
Canonical SMILES
CC(=O)N1CCc2c(C1)c(Nc1ccc(cc1F)c1cnn(c1)C)nn2[C@@H]1COCC1
InChI String
InChI=1S/C22H25FN6O2/c1-14(30)28-7-5-21-18(12-28)22(26-29(21)17-6-8-31-13-17)25-20-4-3-15(9-19(20)23)16-10-24-27(2)11-16/h3-4,9-11,17H,5-8,12-13H2,1-2H3,(H,25,26)/t17-/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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