Browse entries in the PDBbind-CN Database
HEADER 6FR0_COMPLEX COMPND 6FR0_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 114 ILE PHE LYS PRO GLU GLU LEU ARG GLN ALA LEU MET PRO SEQRES 2 A 114 THR LEU GLU ALA LEU TYR ARG GLN ASP PRO GLU SER LEU SEQRES 3 A 114 PRO PHE ARG GLN PRO VAL ASP PRO GLN LEU LEU GLY ILE SEQRES 4 A 114 PRO ASP TYR PHE ASP ILE VAL LYS ASN PRO MET ASP LEU SEQRES 5 A 114 SER THR ILE LYS ARG LYS LEU ASP THR GLY GLN TYR GLN SEQRES 6 A 114 GLU PRO TRP GLN TYR VAL ASP ASP VAL TRP LEU MET PHE SEQRES 7 A 114 ASN ASN ALA TRP LEU TYR ASN ARG LYS THR SER ARG VAL SEQRES 8 A 114 TYR LYS PHE CYS SER LYS LEU ALA GLU VAL PHE GLU GLN SEQRES 9 A 114 GLU ILE ASP PRO VAL MET GLN SER LEU GLY HET E A 3H 61 ATOM 1 N ILE A1084 2.071 10.613 -21.322 1.00 41.81 N ATOM 2 CA ILE A1084 0.637 10.773 -21.085 1.00 43.56 C ATOM 3 C ILE A1084 -0.153 9.724 -21.868 1.00 41.52 C ATOM 4 O ILE A1084 0.205 9.387 -22.999 1.00 46.60 O ATOM 5 CB ILE A1084 0.169 12.194 -21.448 1.00 45.24 C ATOM 6 HN3 ILE A1084 2.268 10.727 -22.337 1.00 0.00 H ATOM 7 HN2 ILE A1084 2.368 9.665 -21.014 1.00 0.00 H ATOM 8 HN1 ILE A1084 2.593 11.333 -20.783 1.00 0.00 H ATOM 9 N PHE A1085 -1.229 9.213 -21.267 1.00 33.52 N ATOM 10 CA PHE A1085 -2.013 8.125 -21.843 1.00 33.40 C ATOM 11 C PHE A1085 -3.483 8.509 -21.892 1.00 31.88 C ATOM 12 O PHE A1085 -4.035 8.988 -20.896 1.00 40.23 O ATOM 13 CB PHE A1085 -1.856 6.832 -21.030 1.00 34.35 C ATOM 14 CG PHE A1085 -0.455 6.299 -20.997 1.00 30.00 C ATOM 15 CD1 PHE A1085 0.448 6.744 -20.046 1.00 32.93 C ATOM 16 CD2 PHE A1085 -0.044 5.340 -21.908 1.00 34.78 C ATOM 17 CE1 PHE A1085 1.745 6.249 -20.011 1.00 37.28 C ATOM 18 CE2 PHE A1085 1.250 4.844 -21.879 1.00 35.11 C ATOM 19 CZ PHE A1085 2.138 5.295 -20.928 1.00 33.41 C ATOM 20 H PHE A1085 -1.521 9.606 -20.350 1.00 0.00 H ATOM 21 N LYS A1086 -4.120 8.277 -23.045 1.00 34.19 N ATOM 22 CA LYS A1086 -5.561 8.443 -23.132 1.00 32.12 C ATOM 23 C LYS A1086 -6.266 7.244 -22.499 1.00 30.88 C ATOM 24 O LYS A1086 -5.770 6.114 -22.569 1.00 28.22 O ATOM 25 CB LYS A1086 -5.997 8.588 -24.583 1.00 31.75 C ATOM 26 CG LYS A1086 -5.552 9.879 -25.245 1.00 39.88 C ATOM 27 CD LYS A1086 -5.085 9.629 -26.668 1.00 48.49 C ATOM 28 CE LYS A1086 -4.222 10.774 -27.171 1.00 55.37 C ATOM 29 NZ LYS A1086 -3.238 10.322 -28.194 1.00 60.97 N ATOM 30 HZ1 LYS A1086 -2.614 9.602 -27.778 1.00 0.00 H ATOM 31 HZ2 LYS A1086 -3.746 9.916 -29.006 1.00 0.00 H ATOM 32 HZ3 LYS A1086 -2.670 11.134 -28.510 1.00 0.00 H ATOM 33 H LYS A1086 -3.582 7.977 -23.883 1.00 0.00 H ATOM 34 N PRO A1087 -7.423 7.463 -21.865 1.00 29.81 N ATOM 35 CA PRO A1087 -8.102 6.337 -21.196 1.00 32.35 C ATOM 36 C PRO A1087 -8.474 5.208 -22.143 1.00 25.10 C ATOM 37 O PRO A1087 -8.397 4.035 -21.755 1.00 24.42 O ATOM 38 CB PRO A1087 -9.343 6.995 -20.569 1.00 35.54 C ATOM 39 CG PRO A1087 -9.518 8.291 -21.306 1.00 39.02 C ATOM 40 CD PRO A1087 -8.140 8.736 -21.676 1.00 34.12 C ATOM 41 N GLU A1088 -8.863 5.524 -23.381 1.00 25.57 N ATOM 42 CA GLU A1088 -9.229 4.472 -24.324 1.00 24.36 C ATOM 43 C GLU A1088 -8.017 3.643 -24.727 1.00 25.26 C ATOM 44 O GLU A1088 -8.138 2.432 -24.949 1.00 25.93 O ATOM 45 CB GLU A1088 -9.891 5.082 -25.559 1.00 25.52 C ATOM 46 CG GLU A1088 -11.243 5.706 -25.277 1.00 35.36 C ATOM 47 CD GLU A1088 -11.164 7.183 -24.899 1.00 43.68 C ATOM 48 OE1 GLU A1088 -10.047 7.710 -24.675 1.00 33.54 O ATOM 49 OE2 GLU A1088 -12.239 7.822 -24.831 1.00 55.11 O ATOM 50 H GLU A1088 -8.905 6.521 -23.673 1.00 0.00 H ATOM 51 N GLU A1089 -6.848 4.280 -24.831 1.00 25.46 N ATOM 52 CA GLU A1089 -5.618 3.553 -25.122 1.00 24.49 C ATOM 53 C GLU A1089 -5.288 2.580 -24.002 1.00 27.85 C ATOM 54 O GLU A1089 -4.889 1.435 -24.256 1.00 28.05 O ATOM 55 CB GLU A1089 -4.458 4.531 -25.318 1.00 31.27 C ATOM 56 H GLU A1089 -6.814 5.311 -24.702 1.00 0.00 H ATOM 57 N LEU A1090 -5.415 3.030 -22.752 1.00 22.98 N ATOM 58 CA LEU A1090 -5.149 2.148 -21.626 1.00 22.56 C ATOM 59 C LEU A1090 -6.142 1.004 -21.588 1.00 23.73 C ATOM 60 O LEU A1090 -5.773 -0.141 -21.302 1.00 23.35 O ATOM 61 CB LEU A1090 -5.206 2.934 -20.316 1.00 24.60 C ATOM 62 CG LEU A1090 -4.118 3.966 -20.059 1.00 27.35 C ATOM 63 CD1 LEU A1090 -4.435 4.706 -18.773 1.00 28.20 C ATOM 64 CD2 LEU A1090 -2.753 3.305 -19.994 1.00 29.09 C ATOM 65 H LEU A1090 -5.705 4.014 -22.582 1.00 0.00 H ATOM 66 N ARG A1091 -7.418 1.296 -21.844 1.00 21.85 N ATOM 67 CA ARG A1091 -8.424 0.249 -21.772 1.00 22.35 C ATOM 68 C ARG A1091 -8.183 -0.798 -22.844 1.00 24.37 C ATOM 69 O ARG A1091 -8.227 -2.001 -22.561 1.00 23.37 O ATOM 70 CB ARG A1091 -9.820 0.855 -21.902 1.00 25.24 C ATOM 71 CG ARG A1091 -10.958 -0.150 -21.790 1.00 26.69 C ATOM 72 CD ARG A1091 -12.305 0.543 -21.901 1.00 31.76 C ATOM 73 NE ARG A1091 -13.394 -0.344 -21.509 1.00 34.30 N ATOM 74 CZ ARG A1091 -14.219 -0.940 -22.362 1.00 47.35 C ATOM 75 NH1 ARG A1091 -14.085 -0.740 -23.665 1.00 53.51 N ATOM 76 NH2 ARG A1091 -15.178 -1.736 -21.910 1.00 49.98 N ATOM 77 HE ARG A1091 -13.534 -0.522 -20.494 1.00 0.00 H ATOM 78 HH12 ARG A1091 -14.732 -1.207 -24.332 1.00 0.00 H ATOM 79 HH11 ARG A1091 -13.333 -0.116 -24.021 1.00 0.00 H ATOM 80 HH22 ARG A1091 -15.824 -2.203 -22.578 1.00 0.00 H ATOM 81 HH21 ARG A1091 -15.284 -1.894 -20.888 1.00 0.00 H ATOM 82 H ARG A1091 -7.692 2.268 -22.094 1.00 0.00 H ATOM 83 N GLN A1092 -7.876 -0.361 -24.065 1.00 23.62 N ATOM 84 CA GLN A1092 -7.669 -1.303 -25.159 1.00 26.15 C ATOM 85 C GLN A1092 -6.470 -2.205 -24.889 1.00 28.99 C ATOM 86 O GLN A1092 -6.509 -3.407 -25.180 1.00 28.80 O ATOM 87 CB GLN A1092 -7.493 -0.534 -26.468 1.00 32.68 C ATOM 88 CG GLN A1092 -7.110 -1.380 -27.665 1.00 47.37 C ATOM 89 CD GLN A1092 -6.921 -0.542 -28.912 1.00 58.63 C ATOM 90 OE1 GLN A1092 -5.844 -0.529 -29.509 1.00 67.24 O ATOM 91 NE2 GLN A1092 -7.968 0.177 -29.305 1.00 55.86 N ATOM 92 HE22 GLN A1092 -8.858 0.135 -28.769 1.00 0.00 H ATOM 93 HE21 GLN A1092 -7.897 0.782 -30.148 1.00 0.00 H ATOM 94 H GLN A1092 -7.783 0.660 -24.239 1.00 0.00 H ATOM 95 N ALA A1093 -5.415 -1.654 -24.292 1.00 25.88 N ATOM 96 CA ALA A1093 -4.184 -2.413 -24.095 1.00 23.99 C ATOM 97 C ALA A1093 -4.261 -3.330 -22.878 1.00 25.71 C ATOM 98 O ALA A1093 -3.791 -4.473 -22.928 1.00 25.52 O ATOM 99 CB ALA A1093 -3.001 -1.460 -23.950 1.00 25.82 C ATOM 100 H ALA A1093 -5.469 -0.669 -23.962 1.00 0.00 H ATOM 101 N LEU A1094 -4.851 -2.853 -21.775 1.00 22.95 N ATOM 102 CA LEU A1094 -4.773 -3.565 -20.501 1.00 20.66 C ATOM 103 C LEU A1094 -5.945 -4.497 -20.241 1.00 21.78 C ATOM 104 O LEU A1094 -5.796 -5.453 -19.465 1.00 20.87 O ATOM 105 CB LEU A1094 -4.680 -2.563 -19.350 1.00 19.09 C ATOM 106 CG LEU A1094 -3.422 -1.710 -19.363 1.00 21.39 C ATOM 107 CD1 LEU A1094 -3.551 -0.596 -18.342 1.00 20.82 C ATOM 108 CD2 LEU A1094 -2.175 -2.548 -19.108 1.00 23.94 C ATOM 109 H LEU A1094 -5.376 -1.957 -21.826 1.00 0.00 H ATOM 110 N MET A1095 -7.116 -4.239 -20.829 1.00 24.19 N ATOM 111 CA MET A1095 -8.266 -5.099 -20.552 1.00 23.72 C ATOM 112 C MET A1095 -8.024 -6.569 -20.889 1.00 23.27 C ATOM 113 O MET A1095 -8.535 -7.424 -20.144 1.00 23.31 O ATOM 114 CB MET A1095 -9.516 -4.577 -21.279 1.00 25.10 C ATOM 115 CG MET A1095 -10.833 -5.240 -20.819 1.00 29.06 C ATOM 116 SD MET A1095 -11.276 -4.998 -19.076 1.00 29.76 S ATOM 117 CE MET A1095 -11.964 -3.341 -19.119 1.00 27.65 C ATOM 118 H MET A1095 -7.209 -3.433 -21.479 1.00 0.00 H ATOM 119 N PRO A1096 -7.284 -6.935 -21.946 1.00 24.93 N ATOM 120 CA PRO A1096 -6.998 -8.365 -22.164 1.00 25.97 C ATOM 121 C PRO A1096 -6.265 -9.021 -21.009 1.00 25.18 C ATOM 122 O PRO A1096 -6.483 -10.214 -20.748 1.00 23.42 O ATOM 123 CB PRO A1096 -6.145 -8.363 -23.438 1.00 27.38 C ATOM 124 CG PRO A1096 -6.571 -7.132 -24.166 1.00 26.78 C ATOM 125 CD PRO A1096 -6.829 -6.116 -23.089 1.00 27.16 C ATOM 126 N THR A1097 -5.396 -8.288 -20.309 1.00 20.36 N ATOM 127 CA THR A1097 -4.716 -8.882 -19.160 1.00 19.29 C ATOM 128 C THR A1097 -5.688 -9.120 -18.012 1.00 21.52 C ATOM 129 O THR A1097 -5.566 -10.113 -17.283 1.00 23.47 O ATOM 130 CB THR A1097 -3.531 -8.017 -18.711 1.00 20.79 C ATOM 131 OG1 THR A1097 -3.980 -6.768 -18.155 1.00 20.53 O ATOM 132 CG2 THR A1097 -2.598 -7.723 -19.879 1.00 25.52 C ATOM 133 HG1 THR A1097 -4.494 -6.270 -18.839 1.00 0.00 H ATOM 134 H THR A1097 -5.205 -7.302 -20.579 1.00 0.00 H ATOM 135 N LEU A1098 -6.664 -8.230 -17.833 1.00 17.14 N ATOM 136 CA LEU A1098 -7.671 -8.446 -16.805 1.00 20.09 C ATOM 137 C LEU A1098 -8.583 -9.603 -17.184 1.00 20.16 C ATOM 138 O LEU A1098 -8.958 -10.412 -16.326 1.00 19.83 O ATOM 139 CB LEU A1098 -8.479 -7.167 -16.591 1.00 22.31 C ATOM 140 CG LEU A1098 -9.332 -7.116 -15.324 1.00 23.42 C ATOM 141 CD1 LEU A1098 -8.466 -7.198 -14.086 1.00 27.77 C ATOM 142 CD2 LEU A1098 -10.165 -5.832 -15.333 1.00 30.08 C ATOM 143 H LEU A1098 -6.706 -7.379 -18.430 1.00 0.00 H ATOM 144 N GLU A1099 -8.946 -9.687 -18.465 1.00 20.90 N ATOM 145 CA GLU A1099 -9.803 -10.770 -18.933 1.00 22.56 C ATOM 146 C GLU A1099 -9.134 -12.122 -18.736 1.00 22.77 C ATOM 147 O GLU A1099 -9.808 -13.113 -18.424 1.00 23.32 O ATOM 148 CB GLU A1099 -10.162 -10.548 -20.402 1.00 27.14 C ATOM 149 CG GLU A1099 -11.346 -9.610 -20.613 1.00 42.91 C ATOM 150 CD GLU A1099 -12.628 -10.129 -19.974 1.00 60.31 C ATOM 151 OE1 GLU A1099 -13.421 -9.303 -19.472 1.00 65.72 O ATOM 152 OE2 GLU A1099 -12.844 -11.361 -19.976 1.00 65.89 O ATOM 153 H GLU A1099 -8.613 -8.969 -19.140 1.00 0.00 H ATOM 154 N ALA A1100 -7.806 -12.179 -18.893 1.00 21.53 N ATOM 155 CA ALA A1100 -7.085 -13.418 -18.616 1.00 20.78 C ATOM 156 C ALA A1100 -7.278 -13.871 -17.171 1.00 21.97 C ATOM 157 O ALA A1100 -7.297 -15.077 -16.896 1.00 23.47 O ATOM 158 CB ALA A1100 -5.599 -13.243 -18.931 1.00 20.55 C ATOM 159 H ALA A1100 -7.286 -11.337 -19.214 1.00 0.00 H ATOM 160 N LEU A1101 -7.416 -12.934 -16.234 1.00 20.09 N ATOM 161 CA LEU A1101 -7.661 -13.338 -14.854 1.00 18.50 C ATOM 162 C LEU A1101 -9.091 -13.817 -14.658 1.00 19.73 C ATOM 163 O LEU A1101 -9.317 -14.860 -14.034 1.00 20.92 O ATOM 164 CB LEU A1101 -7.353 -12.184 -13.906 1.00 17.73 C ATOM 165 CG LEU A1101 -5.957 -11.581 -14.057 1.00 18.89 C ATOM 166 CD1 LEU A1101 -5.762 -10.515 -13.008 1.00 19.71 C ATOM 167 CD2 LEU A1101 -4.883 -12.656 -13.922 1.00 24.39 C ATOM 168 H LEU A1101 -7.350 -11.927 -16.484 1.00 0.00 H ATOM 169 N TYR A1102 -10.059 -13.087 -15.217 1.00 20.81 N ATOM 170 CA TYR A1102 -11.459 -13.496 -15.138 1.00 23.62 C ATOM 171 C TYR A1102 -11.682 -14.879 -15.726 1.00 24.73 C ATOM 172 O TYR A1102 -12.545 -15.621 -15.242 1.00 29.73 O ATOM 173 CB TYR A1102 -12.337 -12.495 -15.879 1.00 25.05 C ATOM 174 CG TYR A1102 -12.833 -11.348 -15.054 1.00 19.90 C ATOM 175 CD1 TYR A1102 -13.997 -11.456 -14.313 1.00 21.50 C ATOM 176 CD2 TYR A1102 -12.163 -10.128 -15.054 1.00 25.66 C ATOM 177 CE1 TYR A1102 -14.474 -10.387 -13.570 1.00 24.89 C ATOM 178 CE2 TYR A1102 -12.619 -9.064 -14.313 1.00 26.27 C ATOM 179 CZ TYR A1102 -13.775 -9.193 -13.569 1.00 24.87 C ATOM 180 OH TYR A1102 -14.247 -8.122 -12.844 1.00 28.15 O ATOM 181 HH TYR A1102 -15.077 -8.384 -12.373 1.00 0.00 H ATOM 182 H TYR A1102 -9.811 -12.210 -15.718 1.00 0.00 H ATOM 183 N ARG A1103 -10.913 -15.246 -16.758 1.00 23.62 N ATOM 184 CA ARG A1103 -11.097 -16.526 -17.441 1.00 24.51 C ATOM 185 C ARG A1103 -10.731 -17.713 -16.564 1.00 28.71 C ATOM 186 O ARG A1103 -11.161 -18.835 -16.850 1.00 26.97 O ATOM 187 CB ARG A1103 -10.254 -16.572 -18.715 1.00 25.37 C ATOM 188 CG ARG A1103 -10.877 -15.876 -19.910 1.00 38.69 C ATOM 189 CD ARG A1103 -10.275 -16.389 -21.204 1.00 43.82 C ATOM 190 NE ARG A1103 -8.815 -16.423 -21.147 1.00 42.07 N ATOM 191 CZ ARG A1103 -8.035 -15.420 -21.537 1.00 42.07 C ATOM 192 NH1 ARG A1103 -8.579 -14.309 -22.011 1.00 41.41 N ATOM 193 NH2 ARG A1103 -6.715 -15.526 -21.453 1.00 42.73 N ATOM 194 HE ARG A1103 -8.360 -17.283 -20.780 1.00 0.00 H ATOM 195 HH12 ARG A1103 -7.972 -13.522 -22.317 1.00 0.00 H ATOM 196 HH11 ARG A1103 -9.613 -14.224 -22.077 1.00 0.00 H ATOM 197 HH22 ARG A1103 -6.109 -14.738 -21.760 1.00 0.00 H ATOM 198 HH21 ARG A1103 -6.286 -16.397 -21.081 1.00 0.00 H ATOM 199 H ARG A1103 -10.163 -14.603 -17.083 1.00 0.00 H ATOM 200 N GLN A1104 -9.943 -17.503 -15.517 1.00 22.82 N ATOM 201 CA GLN A1104 -9.540 -18.612 -14.655 1.00 20.97 C ATOM 202 C GLN A1104 -10.724 -19.034 -13.797 1.00 21.71 C ATOM 203 O GLN A1104 -11.205 -18.269 -12.955 1.00 22.41 O ATOM 204 CB GLN A1104 -8.350 -18.209 -13.793 1.00 23.72 C ATOM 205 CG GLN A1104 -7.164 -17.659 -14.567 1.00 27.49 C ATOM 206 CD GLN A1104 -6.737 -18.543 -15.720 1.00 30.93 C ATOM 207 OE1 GLN A1104 -6.528 -19.745 -15.555 1.00 29.07 O ATOM 208 NE2 GLN A1104 -6.600 -17.949 -16.900 1.00 29.45 N ATOM 209 HE22 GLN A1104 -6.787 -16.930 -16.994 1.00 0.00 H ATOM 210 HE21 GLN A1104 -6.306 -18.503 -17.730 1.00 0.00 H ATOM 211 H GLN A1104 -9.609 -16.540 -15.308 1.00 0.00 H ATOM 212 N ASP A1105 -11.212 -20.253 -14.027 1.00 22.17 N ATOM 213 CA ASP A1105 -12.273 -20.845 -13.234 1.00 24.33 C ATOM 214 C ASP A1105 -11.764 -22.161 -12.667 1.00 23.74 C ATOM 215 O ASP A1105 -11.332 -23.033 -13.441 1.00 26.23 O ATOM 216 CB ASP A1105 -13.534 -21.097 -14.083 1.00 29.38 C ATOM 217 CG ASP A1105 -14.798 -21.170 -13.247 1.00 38.68 C ATOM 218 OD1 ASP A1105 -15.777 -20.465 -13.576 1.00 54.77 O ATOM 219 OD2 ASP A1105 -14.824 -21.937 -12.266 1.00 48.36 O ATOM 220 H ASP A1105 -10.813 -20.806 -14.812 1.00 0.00 H ATOM 221 N PRO A1106 -11.816 -22.363 -11.338 1.00 23.52 N ATOM 222 CA PRO A1106 -12.480 -21.553 -10.307 1.00 22.99 C ATOM 223 C PRO A1106 -11.636 -20.446 -9.671 1.00 17.56 C ATOM 224 O PRO A1106 -12.107 -19.781 -8.752 1.00 20.21 O ATOM 225 CB PRO A1106 -12.822 -22.598 -9.241 1.00 26.19 C ATOM 226 CG PRO A1106 -11.657 -23.540 -9.324 1.00 25.18 C ATOM 227 CD PRO A1106 -11.344 -23.649 -10.793 1.00 24.63 C ATOM 228 N GLU A1107 -10.396 -20.287 -10.139 1.00 18.76 N ATOM 229 CA GLU A1107 -9.423 -19.530 -9.361 1.00 15.75 C ATOM 230 C GLU A1107 -9.769 -18.051 -9.239 1.00 18.46 C ATOM 231 O GLU A1107 -9.325 -17.403 -8.288 1.00 17.82 O ATOM 232 CB GLU A1107 -8.030 -19.689 -9.969 1.00 17.71 C ATOM 233 CG GLU A1107 -7.412 -21.089 -9.777 1.00 21.77 C ATOM 234 CD GLU A1107 -7.652 -22.019 -10.957 1.00 25.71 C ATOM 235 OE1 GLU A1107 -7.046 -23.116 -10.977 1.00 30.15 O ATOM 236 OE2 GLU A1107 -8.435 -21.674 -11.867 1.00 25.84 O ATOM 237 H GLU A1107 -10.125 -20.701 -11.054 1.00 0.00 H ATOM 238 N SER A1108 -10.537 -17.495 -10.167 1.00 19.16 N ATOM 239 CA SER A1108 -10.893 -16.089 -10.059 1.00 15.99 C ATOM 240 C SER A1108 -12.125 -15.849 -9.190 1.00 17.54 C ATOM 241 O SER A1108 -12.390 -14.696 -8.832 1.00 16.77 O ATOM 242 CB SER A1108 -11.117 -15.476 -11.452 1.00 18.85 C ATOM 243 OG SER A1108 -12.366 -15.865 -11.997 1.00 20.54 O ATOM 244 HG SER A1108 -12.396 -16.851 -12.080 1.00 0.00 H ATOM 245 H SER A1108 -10.883 -18.062 -10.968 1.00 0.00 H ATOM 246 N LEU A1109 -12.850 -16.894 -8.797 1.00 17.68 N ATOM 247 CA LEU A1109 -14.109 -16.683 -8.078 1.00 16.74 C ATOM 248 C LEU A1109 -13.956 -15.933 -6.753 1.00 19.05 C ATOM 249 O LEU A1109 -14.823 -15.091 -6.450 1.00 20.46 O ATOM 250 CB LEU A1109 -14.819 -18.034 -7.877 1.00 20.44 C ATOM 251 CG LEU A1109 -15.196 -18.720 -9.193 1.00 23.85 C ATOM 252 CD1 LEU A1109 -15.773 -20.110 -8.970 1.00 29.60 C ATOM 253 CD2 LEU A1109 -16.177 -17.859 -9.974 1.00 24.89 C ATOM 254 H LEU A1109 -12.523 -17.860 -9.000 1.00 0.00 H ATOM 255 N PRO A1110 -12.900 -16.122 -5.953 1.00 17.01 N ATOM 256 CA PRO A1110 -12.785 -15.310 -4.731 1.00 15.98 C ATOM 257 C PRO A1110 -12.524 -13.837 -4.979 1.00 15.83 C ATOM 258 O PRO A1110 -12.586 -13.069 -4.013 1.00 17.46 O ATOM 259 CB PRO A1110 -11.591 -15.942 -3.991 1.00 17.45 C ATOM 260 CG PRO A1110 -11.471 -17.334 -4.560 1.00 17.15 C ATOM 261 CD PRO A1110 -11.855 -17.169 -6.001 1.00 16.90 C ATOM 262 N PHE A1111 -12.240 -13.432 -6.220 1.00 14.67 N ATOM 263 CA PHE A1111 -11.710 -12.110 -6.510 1.00 15.72 C ATOM 264 C PHE A1111 -12.607 -11.286 -7.412 1.00 19.24 C ATOM 265 O PHE A1111 -12.267 -10.139 -7.710 1.00 16.21 O ATOM 266 CB PHE A1111 -10.321 -12.252 -7.148 1.00 16.14 C ATOM 267 CG PHE A1111 -9.373 -13.067 -6.326 1.00 17.37 C ATOM 268 CD1 PHE A1111 -8.796 -12.535 -5.190 1.00 21.81 C ATOM 269 CD2 PHE A1111 -9.095 -14.376 -6.658 1.00 17.47 C ATOM 270 CE1 PHE A1111 -7.936 -13.302 -4.416 1.00 23.69 C ATOM 271 CE2 PHE A1111 -8.240 -15.141 -5.885 1.00 18.90 C ATOM 272 CZ PHE A1111 -7.662 -14.602 -4.770 1.00 23.81 C ATOM 273 H PHE A1111 -12.405 -14.088 -7.010 1.00 0.00 H ATOM 274 N ARG A1112 -13.745 -11.825 -7.848 1.00 17.25 N ATOM 275 CA ARG A1112 -14.562 -11.132 -8.841 1.00 17.81 C ATOM 276 C ARG A1112 -15.362 -9.972 -8.261 1.00 20.57 C ATOM 277 O ARG A1112 -15.689 -9.037 -9.003 1.00 24.84 O ATOM 278 CB ARG A1112 -15.510 -12.124 -9.513 1.00 18.34 C ATOM 279 CG ARG A1112 -14.826 -13.000 -10.538 1.00 22.07 C ATOM 280 CD ARG A1112 -15.785 -13.971 -11.205 1.00 22.07 C ATOM 281 NE ARG A1112 -15.085 -14.739 -12.223 1.00 23.25 N ATOM 282 CZ ARG A1112 -15.683 -15.572 -13.065 1.00 31.16 C ATOM 283 NH1 ARG A1112 -16.999 -15.734 -13.011 1.00 30.68 N ATOM 284 NH2 ARG A1112 -14.963 -16.238 -13.957 1.00 31.10 N ATOM 285 HE ARG A1112 -14.053 -14.628 -12.295 1.00 0.00 H ATOM 286 HH12 ARG A1112 -17.470 -16.386 -13.670 1.00 0.00 H ATOM 287 HH11 ARG A1112 -17.559 -15.209 -12.310 1.00 0.00 H ATOM 288 HH22 ARG A1112 -15.429 -16.892 -14.618 1.00 0.00 H ATOM 289 HH21 ARG A1112 -13.932 -16.107 -13.996 1.00 0.00 H ATOM 290 H ARG A1112 -14.054 -12.747 -7.478 1.00 0.00 H ATOM 291 N GLN A1113 -15.704 -10.016 -6.980 1.00 17.35 N ATOM 292 CA GLN A1113 -16.468 -8.992 -6.284 1.00 19.76 C ATOM 293 C GLN A1113 -15.732 -8.599 -5.011 1.00 18.97 C ATOM 294 O GLN A1113 -14.883 -9.352 -4.521 1.00 18.94 O ATOM 295 CB GLN A1113 -17.877 -9.503 -5.935 1.00 20.76 C ATOM 296 CG GLN A1113 -18.758 -9.782 -7.153 1.00 29.89 C ATOM 297 CD GLN A1113 -19.096 -8.527 -7.949 1.00 41.28 C ATOM 298 OE1 GLN A1113 -19.456 -7.493 -7.384 1.00 51.13 O ATOM 299 NE2 GLN A1113 -18.980 -8.618 -9.271 1.00 45.43 N ATOM 300 HE22 GLN A1113 -18.673 -9.511 -9.706 1.00 0.00 H ATOM 301 HE21 GLN A1113 -19.197 -7.796 -9.870 1.00 0.00 H ATOM 302 H GLN A1113 -15.403 -10.846 -6.431 1.00 0.00 H ATOM 303 N PRO A1114 -16.037 -7.434 -4.442 1.00 19.05 N ATOM 304 CA PRO A1114 -15.364 -7.041 -3.202 1.00 21.00 C ATOM 305 C PRO A1114 -15.702 -7.998 -2.074 1.00 21.58 C ATOM 306 O PRO A1114 -16.798 -8.562 -2.008 1.00 23.17 O ATOM 307 CB PRO A1114 -15.909 -5.634 -2.920 1.00 21.65 C ATOM 308 CG PRO A1114 -16.437 -5.159 -4.230 1.00 22.95 C ATOM 309 CD PRO A1114 -16.937 -6.378 -4.941 1.00 19.19 C ATOM 310 N VAL A1115 -14.727 -8.194 -1.192 1.00 20.88 N ATOM 311 CA VAL A1115 -14.927 -9.009 0.000 1.00 21.98 C ATOM 312 C VAL A1115 -15.931 -8.323 0.921 1.00 22.68 C ATOM 313 O VAL A1115 -15.729 -7.178 1.349 1.00 23.46 O ATOM 314 CB VAL A1115 -13.593 -9.261 0.721 1.00 23.84 C ATOM 315 CG1 VAL A1115 -13.824 -9.798 2.139 1.00 25.32 C ATOM 316 CG2 VAL A1115 -12.725 -10.222 -0.079 1.00 29.34 C ATOM 317 H VAL A1115 -13.799 -7.755 -1.356 1.00 0.00 H ATOM 318 N ASP A1116 -17.026 -9.025 1.227 1.00 24.14 N ATOM 319 CA ASP A1116 -17.966 -8.624 2.270 1.00 25.01 C ATOM 320 C ASP A1116 -17.794 -9.569 3.449 1.00 24.33 C ATOM 321 O ASP A1116 -18.270 -10.714 3.395 1.00 25.69 O ATOM 322 CB ASP A1116 -19.409 -8.667 1.754 1.00 31.42 C ATOM 323 CG ASP A1116 -20.411 -8.077 2.747 1.00 38.99 C ATOM 324 OD1 ASP A1116 -20.353 -8.415 3.947 1.00 33.45 O ATOM 325 OD2 ASP A1116 -21.267 -7.270 2.327 1.00 44.60 O ATOM 326 H ASP A1116 -17.218 -9.899 0.697 1.00 0.00 H ATOM 327 N PRO A1117 -17.118 -9.154 4.521 1.00 22.97 N ATOM 328 CA PRO A1117 -16.825 -10.094 5.616 1.00 21.11 C ATOM 329 C PRO A1117 -18.066 -10.689 6.259 1.00 26.02 C ATOM 330 O PRO A1117 -18.007 -11.818 6.763 1.00 27.39 O ATOM 331 CB PRO A1117 -16.032 -9.228 6.605 1.00 26.13 C ATOM 332 CG PRO A1117 -15.426 -8.151 5.750 1.00 25.92 C ATOM 333 CD PRO A1117 -16.458 -7.851 4.710 1.00 23.92 C ATOM 334 N GLN A1118 -19.192 -9.972 6.249 1.00 26.25 N ATOM 335 CA GLN A1118 -20.422 -10.507 6.834 1.00 27.53 C ATOM 336 C GLN A1118 -20.975 -11.661 6.002 1.00 29.18 C ATOM 337 O GLN A1118 -21.307 -12.724 6.541 1.00 31.41 O ATOM 338 CB GLN A1118 -21.454 -9.384 6.972 1.00 30.98 C ATOM 339 CG GLN A1118 -22.749 -9.778 7.663 1.00 42.49 C ATOM 340 CD GLN A1118 -23.728 -8.613 7.769 1.00 52.05 C ATOM 341 OE1 GLN A1118 -24.590 -8.588 8.651 1.00 54.59 O ATOM 342 NE2 GLN A1118 -23.603 -7.647 6.862 1.00 53.08 N ATOM 343 HE22 GLN A1118 -22.861 -7.709 6.135 1.00 0.00 H ATOM 344 HE21 GLN A1118 -24.247 -6.831 6.880 1.00 0.00 H ATOM 345 H GLN A1118 -19.195 -9.024 5.821 1.00 0.00 H ATOM 346 N LEU A1119 -21.065 -11.470 4.685 1.00 26.56 N ATOM 347 CA LEU A1119 -21.558 -12.514 3.787 1.00 29.69 C ATOM 348 C LEU A1119 -20.655 -13.738 3.788 1.00 33.09 C ATOM 349 O LEU A1119 -21.135 -14.873 3.668 1.00 34.15 O ATOM 350 CB LEU A1119 -21.669 -11.968 2.364 1.00 33.71 C ATOM 351 CG LEU A1119 -22.851 -11.059 2.071 1.00 36.24 C ATOM 352 CD1 LEU A1119 -22.992 -10.802 0.577 1.00 37.08 C ATOM 353 CD2 LEU A1119 -24.098 -11.695 2.615 1.00 33.49 C ATOM 354 H LEU A1119 -20.777 -10.554 4.286 1.00 0.00 H ATOM 355 N LEU A1120 -19.343 -13.529 3.874 1.00 28.59 N ATOM 356 CA LEU A1120 -18.389 -14.623 3.785 1.00 28.34 C ATOM 357 C LEU A1120 -18.152 -15.313 5.118 1.00 28.59 C ATOM 358 O LEU A1120 -17.617 -16.425 5.134 1.00 32.73 O ATOM 359 CB LEU A1120 -17.050 -14.115 3.229 1.00 29.13 C ATOM 360 CG LEU A1120 -17.099 -13.562 1.798 1.00 27.73 C ATOM 361 CD1 LEU A1120 -15.727 -13.077 1.328 1.00 26.16 C ATOM 362 CD2 LEU A1120 -17.643 -14.614 0.844 1.00 25.69 C ATOM 363 H LEU A1120 -18.992 -12.559 4.008 1.00 0.00 H ATOM 364 N GLY A1121 -18.537 -14.690 6.225 1.00 27.09 N ATOM 365 CA GLY A1121 -18.290 -15.269 7.532 1.00 29.04 C ATOM 366 C GLY A1121 -16.848 -15.176 7.971 1.00 33.68 C ATOM 367 O GLY A1121 -16.339 -16.110 8.607 1.00 32.54 O ATOM 368 H GLY A1121 -19.023 -13.773 6.154 1.00 0.00 H ATOM 369 N ILE A1122 -16.179 -14.070 7.645 1.00 29.23 N ATOM 370 CA ILE A1122 -14.801 -13.784 8.044 1.00 35.43 C ATOM 371 C ILE A1122 -14.750 -12.357 8.597 1.00 34.43 C ATOM 372 O ILE A1122 -14.073 -11.486 8.027 1.00 41.45 O ATOM 373 CB ILE A1122 -13.830 -13.991 6.866 1.00 30.63 C ATOM 374 CG1 ILE A1122 -14.215 -13.137 5.655 1.00 29.34 C ATOM 375 CG2 ILE A1122 -13.822 -15.440 6.414 1.00 31.89 C ATOM 376 CD1 ILE A1122 -13.108 -13.014 4.636 1.00 27.55 C ATOM 377 H ILE A1122 -16.672 -13.360 7.066 1.00 0.00 H ATOM 378 N PRO A1123 -15.430 -12.067 9.712 1.00 37.10 N ATOM 379 CA PRO A1123 -15.633 -10.663 10.122 1.00 39.38 C ATOM 380 C PRO A1123 -14.364 -9.913 10.521 1.00 40.05 C ATOM 381 O PRO A1123 -14.439 -8.713 10.807 1.00 40.47 O ATOM 382 CB PRO A1123 -16.594 -10.786 11.317 1.00 44.67 C ATOM 383 CG PRO A1123 -16.373 -12.177 11.849 1.00 44.80 C ATOM 384 CD PRO A1123 -16.029 -13.027 10.661 1.00 42.21 C ATOM 385 N ASP A1124 -13.214 -10.573 10.548 1.00 42.57 N ATOM 386 CA ASP A1124 -11.935 -10.027 10.983 1.00 39.16 C ATOM 387 C ASP A1124 -11.129 -9.408 9.843 1.00 29.50 C ATOM 388 O ASP A1124 -9.982 -8.986 10.046 1.00 32.77 O ATOM 389 CB ASP A1124 -11.142 -11.162 11.591 1.00 36.95 C ATOM 390 CG ASP A1124 -11.262 -12.406 10.757 1.00 41.30 C ATOM 391 OD1 ASP A1124 -12.099 -13.288 11.070 1.00 50.28 O ATOM 392 OD2 ASP A1124 -10.569 -12.458 9.732 1.00 35.36 O ATOM 393 H ASP A1124 -13.226 -11.564 10.232 1.00 0.00 H ATOM 394 N TYR A1125 -11.710 -9.346 8.655 1.00 31.72 N ATOM 395 CA TYR A1125 -10.945 -9.102 7.440 1.00 25.05 C ATOM 396 C TYR A1125 -10.336 -7.697 7.406 1.00 24.29 C ATOM 397 O TYR A1125 -9.152 -7.529 7.079 1.00 24.48 O ATOM 398 CB TYR A1125 -11.868 -9.357 6.256 1.00 23.02 C ATOM 399 CG TYR A1125 -11.229 -9.177 4.923 1.00 21.83 C ATOM 400 CD1 TYR A1125 -10.449 -10.183 4.362 1.00 19.48 C ATOM 401 CD2 TYR A1125 -11.430 -8.012 4.202 1.00 18.49 C ATOM 402 CE1 TYR A1125 -9.865 -10.020 3.130 1.00 17.14 C ATOM 403 CE2 TYR A1125 -10.846 -7.829 2.972 1.00 18.88 C ATOM 404 CZ TYR A1125 -10.064 -8.837 2.433 1.00 19.57 C ATOM 405 OH TYR A1125 -9.483 -8.662 1.201 1.00 19.88 O ATOM 406 HH TYR A1125 -8.962 -9.470 0.965 1.00 0.00 H ATOM 407 H TYR A1125 -12.740 -9.475 8.588 1.00 0.00 H ATOM 408 N PHE A1126 -11.125 -6.672 7.743 1.00 23.64 N ATOM 409 CA PHE A1126 -10.660 -5.293 7.610 1.00 22.84 C ATOM 410 C PHE A1126 -9.665 -4.889 8.692 1.00 25.99 C ATOM 411 O PHE A1126 -9.000 -3.856 8.542 1.00 32.91 O ATOM 412 CB PHE A1126 -11.862 -4.343 7.608 1.00 23.15 C ATOM 413 CG PHE A1126 -12.767 -4.509 6.417 1.00 19.71 C ATOM 414 CD1 PHE A1126 -12.247 -4.645 5.132 1.00 19.43 C ATOM 415 CD2 PHE A1126 -14.153 -4.509 6.574 1.00 19.38 C ATOM 416 CE1 PHE A1126 -13.096 -4.800 4.033 1.00 17.49 C ATOM 417 CE2 PHE A1126 -14.996 -4.642 5.483 1.00 19.28 C ATOM 418 CZ PHE A1126 -14.472 -4.790 4.212 1.00 18.39 C ATOM 419 H PHE A1126 -12.082 -6.858 8.105 1.00 0.00 H ATOM 420 N ASP A1127 -9.544 -5.668 9.766 1.00 26.05 N ATOM 421 CA ASP A1127 -8.456 -5.444 10.710 1.00 35.54 C ATOM 422 C ASP A1127 -7.108 -5.782 10.092 1.00 32.18 C ATOM 423 O ASP A1127 -6.086 -5.199 10.471 1.00 35.20 O ATOM 424 CB ASP A1127 -8.679 -6.273 11.974 1.00 43.12 C ATOM 425 CG ASP A1127 -9.980 -5.933 12.671 1.00 58.83 C ATOM 426 OD1 ASP A1127 -10.665 -6.865 13.148 1.00 61.48 O ATOM 427 OD2 ASP A1127 -10.317 -4.731 12.741 1.00 64.96 O ATOM 428 H ASP A1127 -10.226 -6.436 9.931 1.00 0.00 H ATOM 429 N ILE A1128 -7.084 -6.705 9.137 1.00 26.97 N ATOM 430 CA ILE A1128 -5.847 -7.137 8.507 1.00 26.49 C ATOM 431 C ILE A1128 -5.644 -6.476 7.150 1.00 23.03 C ATOM 432 O ILE A1128 -4.528 -6.076 6.816 1.00 25.03 O ATOM 433 CB ILE A1128 -5.833 -8.676 8.391 1.00 25.95 C ATOM 434 CG1 ILE A1128 -5.721 -9.300 9.780 1.00 30.22 C ATOM 435 CG2 ILE A1128 -4.685 -9.152 7.530 1.00 24.65 C ATOM 436 CD1 ILE A1128 -6.230 -10.719 9.840 1.00 34.42 C ATOM 437 H ILE A1128 -7.981 -7.133 8.830 1.00 0.00 H ATOM 438 N VAL A1129 -6.713 -6.339 6.365 1.00 21.14 N ATOM 439 CA VAL A1129 -6.650 -5.782 5.013 1.00 18.67 C ATOM 440 C VAL A1129 -7.225 -4.370 5.070 1.00 23.15 C ATOM 441 O VAL A1129 -8.448 -4.175 5.124 1.00 23.00 O ATOM 442 CB VAL A1129 -7.392 -6.665 4.004 1.00 16.31 C ATOM 443 CG1 VAL A1129 -7.415 -6.029 2.630 1.00 17.52 C ATOM 444 CG2 VAL A1129 -6.734 -8.054 3.938 1.00 19.90 C ATOM 445 H VAL A1129 -7.638 -6.643 6.732 1.00 0.00 H ATOM 446 N LYS A1130 -6.332 -3.378 5.057 1.00 24.51 N ATOM 447 CA LYS A1130 -6.718 -1.980 5.209 1.00 26.22 C ATOM 448 C LYS A1130 -6.954 -1.262 3.885 1.00 24.98 C ATOM 449 O LYS A1130 -7.573 -0.193 3.877 1.00 25.72 O ATOM 450 CB LYS A1130 -5.651 -1.237 6.014 1.00 33.17 C ATOM 451 CG LYS A1130 -5.519 -1.752 7.440 1.00 41.71 C ATOM 452 CD LYS A1130 -4.104 -1.605 7.970 1.00 46.60 C ATOM 453 CE LYS A1130 -4.002 -2.156 9.383 1.00 51.93 C ATOM 454 NZ LYS A1130 -5.290 -2.011 10.121 1.00 54.55 N ATOM 455 HZ1 LYS A1130 -5.544 -1.004 10.177 1.00 0.00 H ATOM 456 HZ2 LYS A1130 -6.037 -2.531 9.618 1.00 0.00 H ATOM 457 HZ3 LYS A1130 -5.184 -2.397 11.081 1.00 0.00 H ATOM 458 H LYS A1130 -5.326 -3.610 4.934 1.00 0.00 H ATOM 459 N ASN A1131 -6.505 -1.833 2.769 1.00 22.57 N ATOM 460 CA ASN A1131 -6.678 -1.249 1.440 1.00 19.47 C ATOM 461 C ASN A1131 -7.234 -2.333 0.520 1.00 17.90 C ATOM 462 O ASN A1131 -6.501 -2.891 -0.310 1.00 18.95 O ATOM 463 CB ASN A1131 -5.356 -0.704 0.894 1.00 22.51 C ATOM 464 CG ASN A1131 -4.847 0.496 1.672 1.00 34.25 C ATOM 465 OD1 ASN A1131 -3.756 0.458 2.245 1.00 37.67 O ATOM 466 ND2 ASN A1131 -5.628 1.570 1.690 1.00 37.09 N ATOM 467 HD22 ASN A1131 -6.541 1.557 1.192 1.00 0.00 H ATOM 468 HD21 ASN A1131 -5.327 2.424 2.202 1.00 0.00 H ATOM 469 H ASN A1131 -6.005 -2.742 2.847 1.00 0.00 H ATOM 470 N PRO A1132 -8.531 -2.639 0.618 1.00 18.56 N ATOM 471 CA PRO A1132 -9.103 -3.728 -0.188 1.00 15.26 C ATOM 472 C PRO A1132 -9.094 -3.429 -1.681 1.00 16.61 C ATOM 473 O PRO A1132 -9.141 -2.267 -2.104 1.00 20.04 O ATOM 474 CB PRO A1132 -10.541 -3.835 0.344 1.00 17.40 C ATOM 475 CG PRO A1132 -10.495 -3.210 1.705 1.00 21.39 C ATOM 476 CD PRO A1132 -9.519 -2.086 1.563 1.00 21.15 C ATOM 477 N MET A1133 -9.057 -4.494 -2.485 1.00 16.13 N ATOM 478 CA MET A1133 -9.103 -4.376 -3.936 1.00 17.71 C ATOM 479 C MET A1133 -9.640 -5.680 -4.517 1.00 14.02 C ATOM 480 O MET A1133 -9.392 -6.761 -3.971 1.00 18.38 O ATOM 481 CB MET A1133 -7.717 -4.063 -4.510 1.00 17.71 C ATOM 482 CG MET A1133 -7.706 -3.725 -6.001 1.00 18.01 C ATOM 483 SD MET A1133 -8.823 -2.392 -6.504 1.00 18.79 S ATOM 484 CE MET A1133 -8.262 -1.023 -5.490 1.00 18.51 C ATOM 485 H MET A1133 -8.993 -5.441 -2.060 1.00 0.00 H ATOM 486 N ASP A1134 -10.370 -5.579 -5.630 1.00 16.51 N ATOM 487 CA ASP A1134 -10.939 -6.760 -6.290 1.00 15.73 C ATOM 488 C ASP A1134 -11.052 -6.497 -7.790 1.00 16.41 C ATOM 489 O ASP A1134 -10.921 -5.360 -8.247 1.00 16.33 O ATOM 490 CB ASP A1134 -12.312 -7.112 -5.719 1.00 17.07 C ATOM 491 CG ASP A1134 -13.373 -6.132 -6.155 1.00 20.89 C ATOM 492 OD1 ASP A1134 -13.349 -4.985 -5.667 1.00 23.49 O ATOM 493 OD2 ASP A1134 -14.206 -6.496 -7.015 1.00 26.53 O ATOM 494 H ASP A1134 -10.540 -4.639 -6.040 1.00 0.00 H ATOM 495 N LEU A1135 -11.350 -7.559 -8.557 1.00 16.07 N ATOM 496 CA LEU A1135 -11.403 -7.447 -10.021 1.00 16.40 C ATOM 497 C LEU A1135 -12.499 -6.498 -10.510 1.00 14.60 C ATOM 498 O LEU A1135 -12.315 -5.815 -11.525 1.00 17.71 O ATOM 499 CB LEU A1135 -11.615 -8.819 -10.656 1.00 16.94 C ATOM 500 CG LEU A1135 -10.480 -9.834 -10.492 1.00 16.83 C ATOM 501 CD1 LEU A1135 -10.963 -11.226 -10.946 1.00 19.74 C ATOM 502 CD2 LEU A1135 -9.288 -9.401 -11.302 1.00 18.88 C ATOM 503 H LEU A1135 -11.546 -8.476 -8.107 1.00 0.00 H ATOM 504 N SER A1136 -13.660 -6.471 -9.839 1.00 16.54 N ATOM 505 CA SER A1136 -14.739 -5.609 -10.326 1.00 17.25 C ATOM 506 C SER A1136 -14.372 -4.139 -10.201 1.00 15.68 C ATOM 507 O SER A1136 -14.752 -3.325 -11.053 1.00 18.77 O ATOM 508 CB SER A1136 -16.045 -5.886 -9.573 1.00 21.48 C ATOM 509 OG SER A1136 -16.013 -5.380 -8.249 1.00 25.16 O ATOM 510 HG SER A1136 -15.272 -5.808 -7.751 1.00 0.00 H ATOM 511 H SER A1136 -13.792 -7.053 -8.987 1.00 0.00 H ATOM 512 N THR A1137 -13.674 -3.775 -9.125 1.00 17.77 N ATOM 513 CA THR A1137 -13.220 -2.397 -8.970 1.00 16.18 C ATOM 514 C THR A1137 -12.209 -2.029 -10.045 1.00 17.36 C ATOM 515 O THR A1137 -12.267 -0.933 -10.622 1.00 16.88 O ATOM 516 CB THR A1137 -12.612 -2.221 -7.579 1.00 17.96 C ATOM 517 OG1 THR A1137 -13.622 -2.485 -6.596 1.00 22.72 O ATOM 518 CG2 THR A1137 -12.099 -0.798 -7.400 1.00 18.85 C ATOM 519 HG1 THR A1137 -13.951 -3.412 -6.704 1.00 0.00 H ATOM 520 H THR A1137 -13.452 -4.478 -8.391 1.00 0.00 H ATOM 521 N ILE A1138 -11.254 -2.921 -10.308 1.00 16.46 N ATOM 522 CA ILE A1138 -10.256 -2.666 -11.342 1.00 14.96 C ATOM 523 C ILE A1138 -10.920 -2.542 -12.711 1.00 15.55 C ATOM 524 O ILE A1138 -10.571 -1.661 -13.509 1.00 18.44 O ATOM 525 CB ILE A1138 -9.181 -3.770 -11.328 1.00 16.66 C ATOM 526 CG1 ILE A1138 -8.431 -3.785 -9.993 1.00 17.94 C ATOM 527 CG2 ILE A1138 -8.204 -3.554 -12.455 1.00 16.22 C ATOM 528 CD1 ILE A1138 -7.563 -5.045 -9.762 1.00 17.65 C ATOM 529 H ILE A1138 -11.220 -3.810 -9.769 1.00 0.00 H ATOM 530 N LYS A1139 -11.880 -3.428 -13.007 1.00 16.66 N ATOM 531 CA LYS A1139 -12.577 -3.368 -14.290 1.00 17.98 C ATOM 532 C LYS A1139 -13.335 -2.057 -14.446 1.00 16.05 C ATOM 533 O LYS A1139 -13.302 -1.439 -15.512 1.00 18.65 O ATOM 534 CB LYS A1139 -13.524 -4.564 -14.433 1.00 18.06 C ATOM 535 CG LYS A1139 -14.239 -4.613 -15.789 1.00 21.90 C ATOM 536 CD LYS A1139 -15.159 -5.820 -15.899 1.00 27.68 C ATOM 537 CE LYS A1139 -14.396 -7.041 -16.367 1.00 44.23 C ATOM 538 NZ LYS A1139 -13.866 -6.882 -17.752 1.00 51.00 N ATOM 539 HZ1 LYS A1139 -14.657 -6.725 -18.409 1.00 0.00 H ATOM 540 HZ2 LYS A1139 -13.221 -6.067 -17.784 1.00 0.00 H ATOM 541 HZ3 LYS A1139 -13.352 -7.744 -18.026 1.00 0.00 H ATOM 542 H LYS A1139 -12.132 -4.165 -12.318 1.00 0.00 H ATOM 543 N ARG A1140 -14.063 -1.640 -13.405 1.00 17.67 N ATOM 544 CA ARG A1140 -14.791 -0.374 -13.492 1.00 16.78 C ATOM 545 C ARG A1140 -13.839 0.808 -13.660 1.00 21.50 C ATOM 546 O ARG A1140 -14.107 1.725 -14.448 1.00 19.36 O ATOM 547 CB ARG A1140 -15.682 -0.198 -12.263 1.00 19.14 C ATOM 548 CG ARG A1140 -16.509 1.088 -12.281 1.00 20.57 C ATOM 549 CD ARG A1140 -17.502 1.135 -11.128 1.00 26.64 C ATOM 550 NE ARG A1140 -16.870 0.881 -9.834 1.00 28.17 N ATOM 551 CZ ARG A1140 -16.098 1.751 -9.184 1.00 34.84 C ATOM 552 NH1 ARG A1140 -15.847 2.950 -9.700 1.00 36.67 N ATOM 553 NH2 ARG A1140 -15.569 1.416 -8.012 1.00 38.04 N ATOM 554 HE ARG A1140 -17.035 -0.045 -9.389 1.00 0.00 H ATOM 555 HH12 ARG A1140 -15.243 3.622 -9.185 1.00 0.00 H ATOM 556 HH11 ARG A1140 -16.254 3.216 -10.619 1.00 0.00 H ATOM 557 HH22 ARG A1140 -14.966 2.092 -7.501 1.00 0.00 H ATOM 558 HH21 ARG A1140 -15.758 0.478 -7.605 1.00 0.00 H ATOM 559 H ARG A1140 -14.112 -2.212 -12.538 1.00 0.00 H ATOM 560 N LYS A1141 -12.717 0.808 -12.937 1.00 18.65 N ATOM 561 CA LYS A1141 -11.753 1.894 -13.089 1.00 17.13 C ATOM 562 C LYS A1141 -11.210 1.966 -14.512 1.00 18.79 C ATOM 563 O LYS A1141 -11.118 3.050 -15.094 1.00 20.00 O ATOM 564 CB LYS A1141 -10.624 1.723 -12.072 1.00 19.43 C ATOM 565 CG LYS A1141 -11.043 2.134 -10.671 1.00 20.98 C ATOM 566 CD LYS A1141 -9.955 1.842 -9.646 1.00 21.85 C ATOM 567 CE LYS A1141 -8.923 2.960 -9.595 1.00 23.13 C ATOM 568 NZ LYS A1141 -7.949 2.741 -8.467 1.00 21.60 N ATOM 569 HZ1 LYS A1141 -8.465 2.720 -7.564 1.00 0.00 H ATOM 570 HZ2 LYS A1141 -7.456 1.836 -8.607 1.00 0.00 H ATOM 571 HZ3 LYS A1141 -7.256 3.516 -8.454 1.00 0.00 H ATOM 572 H LYS A1141 -12.530 0.036 -12.266 1.00 0.00 H ATOM 573 N LEU A1142 -10.878 0.813 -15.101 1.00 19.07 N ATOM 574 CA LEU A1142 -10.389 0.782 -16.472 1.00 23.12 C ATOM 575 C LEU A1142 -11.479 1.194 -17.459 1.00 22.83 C ATOM 576 O LEU A1142 -11.205 1.893 -18.445 1.00 26.85 O ATOM 577 CB LEU A1142 -9.868 -0.625 -16.782 1.00 24.46 C ATOM 578 CG LEU A1142 -8.842 -0.865 -17.885 1.00 27.47 C ATOM 579 CD1 LEU A1142 -7.671 0.080 -17.782 1.00 23.36 C ATOM 580 CD2 LEU A1142 -8.378 -2.315 -17.805 1.00 26.29 C ATOM 581 H LEU A1142 -10.971 -0.077 -14.571 1.00 0.00 H ATOM 582 N ASP A1143 -12.725 0.788 -17.198 1.00 22.03 N ATOM 583 CA ASP A1143 -13.826 1.122 -18.101 1.00 23.66 C ATOM 584 C ASP A1143 -14.150 2.609 -18.089 1.00 30.54 C ATOM 585 O ASP A1143 -14.562 3.156 -19.121 1.00 31.04 O ATOM 586 CB ASP A1143 -15.081 0.331 -17.727 1.00 25.43 C ATOM 587 CG ASP A1143 -15.134 -1.016 -18.389 1.00 35.22 C ATOM 588 OD1 ASP A1143 -14.268 -1.285 -19.243 1.00 38.46 O ATOM 589 OD2 ASP A1143 -16.039 -1.810 -18.053 1.00 40.05 O ATOM 590 H ASP A1143 -12.914 0.228 -16.342 1.00 0.00 H ATOM 591 N THR A1144 -13.990 3.274 -16.943 1.00 24.44 N ATOM 592 CA THR A1144 -14.452 4.646 -16.771 1.00 24.99 C ATOM 593 C THR A1144 -13.311 5.654 -16.698 1.00 28.72 C ATOM 594 O THR A1144 -13.533 6.802 -16.291 1.00 31.84 O ATOM 595 CB THR A1144 -15.339 4.748 -15.530 1.00 25.76 C ATOM 596 OG1 THR A1144 -14.593 4.367 -14.365 1.00 26.51 O ATOM 597 CG2 THR A1144 -16.548 3.829 -15.673 1.00 25.64 C ATOM 598 HG1 THR A1144 -14.278 3.434 -14.467 1.00 0.00 H ATOM 599 H THR A1144 -13.520 2.798 -16.147 1.00 0.00 H ATOM 600 N GLY A1145 -12.097 5.258 -17.076 1.00 25.66 N ATOM 601 CA GLY A1145 -11.000 6.199 -17.208 1.00 22.84 C ATOM 602 C GLY A1145 -10.367 6.680 -15.920 1.00 25.37 C ATOM 603 O GLY A1145 -9.787 7.771 -15.896 1.00 28.40 O ATOM 604 H GLY A1145 -11.931 4.252 -17.281 1.00 0.00 H ATOM 605 N GLN A1146 -10.419 5.886 -14.851 1.00 21.49 N ATOM 606 CA GLN A1146 -9.882 6.348 -13.576 1.00 24.56 C ATOM 607 C GLN A1146 -8.376 6.144 -13.444 1.00 21.67 C ATOM 608 O GLN A1146 -7.792 6.604 -12.457 1.00 23.74 O ATOM 609 CB GLN A1146 -10.592 5.648 -12.418 1.00 24.14 C ATOM 610 CG GLN A1146 -12.091 5.894 -12.369 1.00 28.73 C ATOM 611 CD GLN A1146 -12.432 7.352 -12.169 1.00 36.23 C ATOM 612 OE1 GLN A1146 -12.660 8.083 -13.135 1.00 37.83 O ATOM 613 NE2 GLN A1146 -12.468 7.787 -10.914 1.00 36.69 N ATOM 614 HE22 GLN A1146 -12.268 7.132 -10.131 1.00 0.00 H ATOM 615 HE21 GLN A1146 -12.696 8.782 -10.715 1.00 0.00 H ATOM 616 H GLN A1146 -10.842 4.939 -14.926 1.00 0.00 H ATOM 617 N TYR A1147 -7.730 5.473 -14.393 1.00 22.28 N ATOM 618 CA TYR A1147 -6.281 5.320 -14.383 1.00 21.23 C ATOM 619 C TYR A1147 -5.651 6.337 -15.319 1.00 24.15 C ATOM 620 O TYR A1147 -6.088 6.490 -16.466 1.00 27.36 O ATOM 621 CB TYR A1147 -5.867 3.910 -14.811 1.00 22.25 C ATOM 622 CG TYR A1147 -6.283 2.806 -13.869 1.00 19.60 C ATOM 623 CD1 TYR A1147 -5.833 2.779 -12.559 1.00 19.72 C ATOM 624 CD2 TYR A1147 -7.122 1.782 -14.294 1.00 20.23 C ATOM 625 CE1 TYR A1147 -6.194 1.766 -11.692 1.00 18.48 C ATOM 626 CE2 TYR A1147 -7.489 0.777 -13.445 1.00 19.37 C ATOM 627 CZ TYR A1147 -7.032 0.759 -12.140 1.00 18.33 C ATOM 628 OH TYR A1147 -7.405 -0.262 -11.290 1.00 19.04 O ATOM 629 HH TYR A1147 -6.991 -0.119 -10.402 1.00 0.00 H ATOM 630 H TYR A1147 -8.276 5.044 -15.167 1.00 0.00 H ATOM 631 N GLN A1148 -4.621 7.028 -14.832 1.00 24.72 N ATOM 632 CA GLN A1148 -3.900 7.980 -15.662 1.00 24.17 C ATOM 633 C GLN A1148 -2.724 7.351 -16.392 1.00 25.34 C ATOM 634 O GLN A1148 -2.322 7.850 -17.452 1.00 27.49 O ATOM 635 CB GLN A1148 -3.404 9.151 -14.807 1.00 29.75 C ATOM 636 CG GLN A1148 -4.506 10.108 -14.384 1.00 42.86 C ATOM 637 CD GLN A1148 -4.518 10.360 -12.889 1.00 51.65 C ATOM 638 OE1 GLN A1148 -3.687 9.829 -12.148 1.00 49.08 O ATOM 639 NE2 GLN A1148 -5.458 11.184 -12.438 1.00 54.53 N ATOM 640 HE22 GLN A1148 -6.138 11.609 -13.100 1.00 0.00 H ATOM 641 HE21 GLN A1148 -5.513 11.404 -11.423 1.00 0.00 H ATOM 642 H GLN A1148 -4.329 6.884 -13.844 1.00 0.00 H ATOM 643 N GLU A1149 -2.172 6.261 -15.863 1.00 21.99 N ATOM 644 CA GLU A1149 -0.996 5.643 -16.455 1.00 22.83 C ATOM 645 C GLU A1149 -0.983 4.170 -16.079 1.00 22.33 C ATOM 646 O GLU A1149 -1.580 3.788 -15.064 1.00 23.48 O ATOM 647 CB GLU A1149 0.294 6.345 -15.998 1.00 29.02 C ATOM 648 CG GLU A1149 0.435 6.489 -14.510 1.00 34.75 C ATOM 649 CD GLU A1149 1.364 5.446 -13.940 1.00 39.63 C ATOM 650 OE1 GLU A1149 1.649 5.495 -12.722 1.00 40.00 O ATOM 651 OE2 GLU A1149 1.813 4.579 -14.724 1.00 38.49 O ATOM 652 H GLU A1149 -2.591 5.842 -15.008 1.00 0.00 H ATOM 653 N PRO A1150 -0.338 3.316 -16.883 1.00 23.67 N ATOM 654 CA PRO A1150 -0.566 1.870 -16.733 1.00 23.51 C ATOM 655 C PRO A1150 -0.055 1.288 -15.430 1.00 21.31 C ATOM 656 O PRO A1150 -0.593 0.267 -14.988 1.00 20.93 O ATOM 657 CB PRO A1150 0.170 1.260 -17.937 1.00 27.37 C ATOM 658 CG PRO A1150 0.459 2.388 -18.857 1.00 31.78 C ATOM 659 CD PRO A1150 0.515 3.628 -18.043 1.00 22.84 C ATOM 660 N TRP A1151 0.962 1.890 -14.798 1.00 20.92 N ATOM 661 CA TRP A1151 1.455 1.306 -13.555 1.00 18.97 C ATOM 662 C TRP A1151 0.457 1.456 -12.412 1.00 19.74 C ATOM 663 O TRP A1151 0.537 0.710 -11.432 1.00 18.87 O ATOM 664 CB TRP A1151 2.807 1.915 -13.181 1.00 21.08 C ATOM 665 CG TRP A1151 3.912 1.488 -14.109 1.00 33.14 C ATOM 666 CD1 TRP A1151 4.443 2.213 -15.139 1.00 41.55 C ATOM 667 CD2 TRP A1151 4.613 0.233 -14.100 1.00 42.43 C ATOM 668 NE1 TRP A1151 5.433 1.492 -15.765 1.00 44.70 N ATOM 669 CE2 TRP A1151 5.557 0.275 -15.148 1.00 47.12 C ATOM 670 CE3 TRP A1151 4.535 -0.918 -13.308 1.00 44.37 C ATOM 671 CZ2 TRP A1151 6.416 -0.789 -15.424 1.00 53.00 C ATOM 672 CZ3 TRP A1151 5.391 -1.974 -13.583 1.00 49.38 C ATOM 673 CH2 TRP A1151 6.318 -1.901 -14.633 1.00 53.88 C ATOM 674 HE1 TRP A1151 5.997 1.818 -16.576 1.00 0.00 H ATOM 675 H TRP A1151 1.391 2.755 -15.185 1.00 0.00 H ATOM 676 N GLN A1152 -0.510 2.368 -12.527 1.00 17.54 N ATOM 677 CA GLN A1152 -1.563 2.443 -11.520 1.00 17.77 C ATOM 678 C GLN A1152 -2.454 1.207 -11.572 1.00 17.86 C ATOM 679 O GLN A1152 -2.913 0.720 -10.532 1.00 17.30 O ATOM 680 CB GLN A1152 -2.389 3.715 -11.723 1.00 22.01 C ATOM 681 CG GLN A1152 -1.624 4.998 -11.412 1.00 20.81 C ATOM 682 CD GLN A1152 -2.376 6.238 -11.815 1.00 24.09 C ATOM 683 OE1 GLN A1152 -3.197 6.211 -12.729 1.00 27.59 O ATOM 684 NE2 GLN A1152 -2.084 7.351 -11.147 1.00 28.61 N ATOM 685 HE22 GLN A1152 -1.382 7.328 -10.380 1.00 0.00 H ATOM 686 HE21 GLN A1152 -2.558 8.244 -11.392 1.00 0.00 H ATOM 687 H GLN A1152 -0.513 3.025 -13.333 1.00 0.00 H ATOM 688 N TYR A1153 -2.727 0.710 -12.781 1.00 18.94 N ATOM 689 CA TYR A1153 -3.489 -0.525 -12.947 1.00 17.58 C ATOM 690 C TYR A1153 -2.713 -1.723 -12.403 1.00 16.79 C ATOM 691 O TYR A1153 -3.266 -2.564 -11.684 1.00 17.64 O ATOM 692 CB TYR A1153 -3.832 -0.706 -14.436 1.00 17.46 C ATOM 693 CG TYR A1153 -4.227 -2.113 -14.830 1.00 17.65 C ATOM 694 CD1 TYR A1153 -5.534 -2.550 -14.665 1.00 17.92 C ATOM 695 CD2 TYR A1153 -3.288 -3.004 -15.363 1.00 17.49 C ATOM 696 CE1 TYR A1153 -5.903 -3.840 -15.009 1.00 17.93 C ATOM 697 CE2 TYR A1153 -3.654 -4.289 -15.719 1.00 16.19 C ATOM 698 CZ TYR A1153 -4.963 -4.698 -15.534 1.00 19.30 C ATOM 699 OH TYR A1153 -5.351 -5.981 -15.867 1.00 18.92 O ATOM 700 HH TYR A1153 -5.191 -6.133 -16.832 1.00 0.00 H ATOM 701 H TYR A1153 -2.389 1.215 -13.625 1.00 0.00 H ATOM 702 N VAL A1154 -1.425 -1.806 -12.739 1.00 18.25 N ATOM 703 CA VAL A1154 -0.586 -2.898 -12.257 1.00 19.21 C ATOM 704 C VAL A1154 -0.536 -2.897 -10.728 1.00 17.90 C ATOM 705 O VAL A1154 -0.626 -3.953 -10.086 1.00 17.90 O ATOM 706 CB VAL A1154 0.820 -2.771 -12.881 1.00 17.44 C ATOM 707 CG1 VAL A1154 1.796 -3.767 -12.258 1.00 20.69 C ATOM 708 CG2 VAL A1154 0.757 -2.959 -14.391 1.00 21.55 C ATOM 709 H VAL A1154 -1.011 -1.079 -13.356 1.00 0.00 H ATOM 710 N ASP A1155 -0.390 -1.707 -10.127 1.00 17.45 N ATOM 711 CA ASP A1155 -0.398 -1.556 -8.670 1.00 18.99 C ATOM 712 C ASP A1155 -1.675 -2.130 -8.049 1.00 17.00 C ATOM 713 O ASP A1155 -1.613 -2.844 -7.037 1.00 16.93 O ATOM 714 CB ASP A1155 -0.244 -0.054 -8.340 1.00 21.04 C ATOM 715 CG ASP A1155 0.234 0.259 -6.907 1.00 28.87 C ATOM 716 OD1 ASP A1155 0.868 -0.561 -6.229 1.00 23.75 O ATOM 717 OD2 ASP A1155 -0.013 1.410 -6.473 1.00 31.60 O ATOM 718 H ASP A1155 -0.266 -0.860 -10.717 1.00 0.00 H ATOM 719 N ASP A1156 -2.843 -1.850 -8.649 1.00 15.94 N ATOM 720 CA ASP A1156 -4.096 -2.348 -8.081 1.00 13.71 C ATOM 721 C ASP A1156 -4.178 -3.872 -8.166 1.00 14.86 C ATOM 722 O ASP A1156 -4.649 -4.522 -7.225 1.00 15.07 O ATOM 723 CB ASP A1156 -5.301 -1.735 -8.804 1.00 16.13 C ATOM 724 CG ASP A1156 -5.714 -0.373 -8.248 1.00 23.01 C ATOM 725 OD1 ASP A1156 -5.159 0.066 -7.214 1.00 22.14 O ATOM 726 OD2 ASP A1156 -6.610 0.268 -8.858 1.00 21.99 O ATOM 727 H ASP A1156 -2.857 -1.279 -9.518 1.00 0.00 H ATOM 728 N VAL A1157 -3.747 -4.455 -9.294 1.00 16.05 N ATOM 729 CA VAL A1157 -3.772 -5.912 -9.420 1.00 14.85 C ATOM 730 C VAL A1157 -2.892 -6.545 -8.349 1.00 15.03 C ATOM 731 O VAL A1157 -3.291 -7.508 -7.676 1.00 14.74 O ATOM 732 CB VAL A1157 -3.341 -6.343 -10.833 1.00 14.95 C ATOM 733 CG1 VAL A1157 -3.235 -7.862 -10.882 1.00 15.53 C ATOM 734 CG2 VAL A1157 -4.353 -5.859 -11.879 1.00 16.67 C ATOM 735 H VAL A1157 -3.395 -3.871 -10.079 1.00 0.00 H ATOM 736 N TRP A1158 -1.666 -6.012 -8.175 1.00 15.26 N ATOM 737 CA TRP A1158 -0.785 -6.606 -7.179 1.00 13.95 C ATOM 738 C TRP A1158 -1.307 -6.378 -5.768 1.00 15.99 C ATOM 739 O TRP A1158 -1.112 -7.243 -4.900 1.00 15.95 O ATOM 740 CB TRP A1158 0.645 -6.090 -7.320 1.00 17.30 C ATOM 741 CG TRP A1158 1.400 -6.797 -8.397 1.00 21.35 C ATOM 742 CD1 TRP A1158 1.664 -6.330 -9.651 1.00 28.08 C ATOM 743 CD2 TRP A1158 1.967 -8.114 -8.332 1.00 23.14 C ATOM 744 NE1 TRP A1158 2.364 -7.269 -10.372 1.00 24.16 N ATOM 745 CE2 TRP A1158 2.566 -8.371 -9.581 1.00 25.35 C ATOM 746 CE3 TRP A1158 2.032 -9.096 -7.336 1.00 26.97 C ATOM 747 CZ2 TRP A1158 3.222 -9.570 -9.861 1.00 31.97 C ATOM 748 CZ3 TRP A1158 2.683 -10.285 -7.619 1.00 34.12 C ATOM 749 CH2 TRP A1158 3.268 -10.510 -8.867 1.00 33.00 C ATOM 750 HE1 TRP A1158 2.687 -7.161 -11.355 1.00 0.00 H ATOM 751 H TRP A1158 -1.356 -5.195 -8.739 1.00 0.00 H ATOM 752 N LEU A1159 -1.975 -5.245 -5.524 1.00 15.94 N ATOM 753 CA LEU A1159 -2.588 -5.009 -4.217 1.00 16.12 C ATOM 754 C LEU A1159 -3.622 -6.088 -3.903 1.00 16.41 C ATOM 755 O LEU A1159 -3.649 -6.640 -2.792 1.00 16.96 O ATOM 756 CB LEU A1159 -3.215 -3.607 -4.188 1.00 16.48 C ATOM 757 CG LEU A1159 -4.005 -3.247 -2.934 1.00 16.68 C ATOM 758 CD1 LEU A1159 -3.111 -3.278 -1.696 1.00 20.70 C ATOM 759 CD2 LEU A1159 -4.653 -1.884 -3.100 1.00 18.21 C ATOM 760 H LEU A1159 -2.059 -4.526 -6.270 1.00 0.00 H ATOM 761 N MET A1160 -4.447 -6.435 -4.893 1.00 13.99 N ATOM 762 CA MET A1160 -5.412 -7.515 -4.724 1.00 13.66 C ATOM 763 C MET A1160 -4.721 -8.836 -4.370 1.00 14.60 C ATOM 764 O MET A1160 -5.143 -9.537 -3.445 1.00 15.59 O ATOM 765 CB MET A1160 -6.248 -7.629 -5.999 1.00 16.09 C ATOM 766 CG MET A1160 -7.256 -8.771 -5.985 1.00 16.48 C ATOM 767 SD MET A1160 -8.098 -8.932 -7.569 1.00 17.76 S ATOM 768 CE MET A1160 -6.752 -9.530 -8.565 1.00 25.54 C ATOM 769 H MET A1160 -4.401 -5.927 -5.799 1.00 0.00 H ATOM 770 N PHE A1161 -3.643 -9.179 -5.088 1.00 13.28 N ATOM 771 CA PHE A1161 -2.923 -10.416 -4.785 1.00 14.23 C ATOM 772 C PHE A1161 -2.317 -10.369 -3.387 1.00 14.82 C ATOM 773 O PHE A1161 -2.418 -11.333 -2.615 1.00 15.05 O ATOM 774 CB PHE A1161 -1.801 -10.655 -5.799 1.00 15.82 C ATOM 775 CG PHE A1161 -2.257 -10.887 -7.225 1.00 16.68 C ATOM 776 CD1 PHE A1161 -3.519 -11.381 -7.522 1.00 16.15 C ATOM 777 CD2 PHE A1161 -1.381 -10.609 -8.270 1.00 19.80 C ATOM 778 CE1 PHE A1161 -3.900 -11.590 -8.862 1.00 17.68 C ATOM 779 CE2 PHE A1161 -1.754 -10.815 -9.597 1.00 18.26 C ATOM 780 CZ PHE A1161 -3.003 -11.307 -9.887 1.00 17.30 C ATOM 781 H PHE A1161 -3.318 -8.565 -5.862 1.00 0.00 H ATOM 782 N ASN A1162 -1.642 -9.261 -3.061 1.00 14.55 N ATOM 783 CA ASN A1162 -0.950 -9.172 -1.777 1.00 15.12 C ATOM 784 C ASN A1162 -1.929 -9.251 -0.615 1.00 15.93 C ATOM 785 O ASN A1162 -1.621 -9.849 0.424 1.00 17.10 O ATOM 786 CB ASN A1162 -0.147 -7.872 -1.685 1.00 18.10 C ATOM 787 CG ASN A1162 1.072 -7.831 -2.613 1.00 20.83 C ATOM 788 OD1 ASN A1162 1.608 -6.744 -2.876 1.00 28.61 O ATOM 789 ND2 ASN A1162 1.518 -8.970 -3.095 1.00 16.86 N ATOM 790 HD22 ASN A1162 1.040 -9.861 -2.850 1.00 0.00 H ATOM 791 HD21 ASN A1162 2.349 -8.980 -3.721 1.00 0.00 H ATOM 792 H ASN A1162 -1.610 -8.460 -3.724 1.00 0.00 H ATOM 793 N ASN A1163 -3.100 -8.628 -0.753 1.00 14.95 N ATOM 794 CA ASN A1163 -4.124 -8.736 0.275 1.00 14.55 C ATOM 795 C ASN A1163 -4.510 -10.185 0.513 1.00 16.23 C ATOM 796 O ASN A1163 -4.644 -10.623 1.663 1.00 17.05 O ATOM 797 CB ASN A1163 -5.367 -7.943 -0.134 1.00 16.28 C ATOM 798 CG ASN A1163 -5.166 -6.445 -0.040 1.00 16.38 C ATOM 799 OD1 ASN A1163 -4.220 -5.952 0.575 1.00 18.37 O ATOM 800 ND2 ASN A1163 -6.076 -5.710 -0.652 1.00 18.54 N ATOM 801 HD22 ASN A1163 -6.859 -6.169 -1.160 1.00 0.00 H ATOM 802 HD21 ASN A1163 -6.010 -4.672 -0.626 1.00 0.00 H ATOM 803 H ASN A1163 -3.283 -8.059 -1.604 1.00 0.00 H ATOM 804 N ALA A1164 -4.700 -10.946 -0.564 1.00 15.17 N ATOM 805 CA ALA A1164 -5.139 -12.324 -0.399 1.00 15.51 C ATOM 806 C ALA A1164 -4.040 -13.186 0.202 1.00 14.90 C ATOM 807 O ALA A1164 -4.318 -14.076 1.009 1.00 16.92 O ATOM 808 CB ALA A1164 -5.614 -12.901 -1.740 1.00 15.36 C ATOM 809 H ALA A1164 -4.536 -10.559 -1.515 1.00 0.00 H ATOM 810 N TRP A1165 -2.788 -12.945 -0.189 1.00 15.75 N ATOM 811 CA TRP A1165 -1.694 -13.702 0.419 1.00 14.47 C ATOM 812 C TRP A1165 -1.492 -13.318 1.878 1.00 17.73 C ATOM 813 O TRP A1165 -1.042 -14.149 2.681 1.00 21.03 O ATOM 814 CB TRP A1165 -0.407 -13.459 -0.358 1.00 17.74 C ATOM 815 CG TRP A1165 -0.296 -14.158 -1.687 1.00 15.40 C ATOM 816 CD1 TRP A1165 -0.716 -15.423 -2.000 1.00 18.52 C ATOM 817 CD2 TRP A1165 0.326 -13.636 -2.872 1.00 15.96 C ATOM 818 NE1 TRP A1165 -0.400 -15.713 -3.308 1.00 16.63 N ATOM 819 CE2 TRP A1165 0.237 -14.637 -3.866 1.00 16.60 C ATOM 820 CE3 TRP A1165 0.952 -12.420 -3.186 1.00 16.37 C ATOM 821 CZ2 TRP A1165 0.754 -14.462 -5.151 1.00 19.78 C ATOM 822 CZ3 TRP A1165 1.457 -12.249 -4.459 1.00 17.58 C ATOM 823 CH2 TRP A1165 1.357 -13.261 -5.429 1.00 19.43 C ATOM 824 HE1 TRP A1165 -0.611 -16.607 -3.795 1.00 0.00 H ATOM 825 H TRP A1165 -2.592 -12.228 -0.917 1.00 0.00 H ATOM 826 N LEU A1166 -1.803 -12.073 2.239 1.00 17.92 N ATOM 827 CA LEU A1166 -1.669 -11.659 3.632 1.00 18.87 C ATOM 828 C LEU A1166 -2.760 -12.266 4.504 1.00 16.57 C ATOM 829 O LEU A1166 -2.484 -12.744 5.613 1.00 20.61 O ATOM 830 CB LEU A1166 -1.703 -10.134 3.726 1.00 18.87 C ATOM 831 CG LEU A1166 -1.662 -9.564 5.146 1.00 22.93 C ATOM 832 CD1 LEU A1166 -0.279 -9.767 5.740 1.00 28.57 C ATOM 833 CD2 LEU A1166 -2.031 -8.093 5.140 1.00 23.84 C ATOM 834 H LEU A1166 -2.142 -11.395 1.527 1.00 0.00 H ATOM 835 N TYR A1167 -4.001 -12.264 4.024 1.00 17.14 N ATOM 836 CA TYR A1167 -5.123 -12.654 4.866 1.00 16.14 C ATOM 837 C TYR A1167 -5.254 -14.163 4.969 1.00 18.68 C ATOM 838 O TYR A1167 -5.570 -14.692 6.044 1.00 20.22 O ATOM 839 CB TYR A1167 -6.431 -12.072 4.320 1.00 16.59 C ATOM 840 CG TYR A1167 -7.590 -12.484 5.189 1.00 19.18 C ATOM 841 CD1 TYR A1167 -7.770 -11.908 6.438 1.00 18.45 C ATOM 842 CD2 TYR A1167 -8.448 -13.509 4.804 1.00 18.68 C ATOM 843 CE1 TYR A1167 -8.798 -12.317 7.268 1.00 19.41 C ATOM 844 CE2 TYR A1167 -9.493 -13.916 5.626 1.00 19.30 C ATOM 845 CZ TYR A1167 -9.649 -13.320 6.857 1.00 21.12 C ATOM 846 OH TYR A1167 -10.666 -13.736 7.686 1.00 27.36 O ATOM 847 HH TYR A1167 -10.641 -13.212 8.526 1.00 0.00 H ATOM 848 H TYR A1167 -4.171 -11.981 3.038 1.00 0.00 H ATOM 849 N ASN A1168 -5.078 -14.865 3.855 1.00 16.57 N ATOM 850 CA ASN A1168 -5.333 -16.296 3.798 1.00 16.21 C ATOM 851 C ASN A1168 -4.080 -17.101 4.137 1.00 16.10 C ATOM 852 O ASN A1168 -2.954 -16.685 3.859 1.00 19.90 O ATOM 853 CB ASN A1168 -5.860 -16.642 2.405 1.00 15.53 C ATOM 854 CG ASN A1168 -7.156 -15.907 2.087 1.00 16.67 C ATOM 855 OD1 ASN A1168 -8.216 -16.301 2.557 1.00 17.29 O ATOM 856 ND2 ASN A1168 -7.066 -14.796 1.344 1.00 17.28 N ATOM 857 HD22 ASN A1168 -6.145 -14.498 0.964 1.00 0.00 H ATOM 858 HD21 ASN A1168 -7.917 -14.232 1.147 1.00 0.00 H ATOM 859 H ASN A1168 -4.748 -14.377 2.998 1.00 0.00 H ATOM 860 N ARG A1169 -4.295 -18.272 4.742 1.00 18.68 N ATOM 861 CA ARG A1169 -3.190 -19.152 5.100 1.00 19.58 C ATOM 862 C ARG A1169 -2.560 -19.763 3.850 1.00 18.15 C ATOM 863 O ARG A1169 -3.228 -19.982 2.832 1.00 17.27 O ATOM 864 CB ARG A1169 -3.675 -20.261 6.036 1.00 23.90 C ATOM 865 CG ARG A1169 -4.280 -19.763 7.347 1.00 26.26 C ATOM 866 CD ARG A1169 -3.217 -19.200 8.278 1.00 34.22 C ATOM 867 NE ARG A1169 -3.816 -18.533 9.435 1.00 37.92 N ATOM 868 CZ ARG A1169 -3.122 -17.942 10.403 1.00 39.64 C ATOM 869 NH1 ARG A1169 -1.798 -17.925 10.359 1.00 30.59 N ATOM 870 NH2 ARG A1169 -3.755 -17.358 11.413 1.00 43.72 N ATOM 871 HE ARG A1169 -4.854 -18.520 9.505 1.00 0.00 H ATOM 872 HH12 ARG A1169 -1.258 -17.462 11.118 1.00 0.00 H ATOM 873 HH11 ARG A1169 -1.298 -18.375 9.566 1.00 0.00 H ATOM 874 HH22 ARG A1169 -3.212 -16.896 12.170 1.00 0.00 H ATOM 875 HH21 ARG A1169 -4.794 -17.362 11.448 1.00 0.00 H ATOM 876 H ARG A1169 -5.269 -18.561 4.962 1.00 0.00 H ATOM 877 N LYS A1170 -1.254 -20.025 3.931 1.00 19.88 N ATOM 878 CA LYS A1170 -0.517 -20.556 2.788 1.00 20.37 C ATOM 879 C LYS A1170 -1.089 -21.879 2.292 1.00 18.54 C ATOM 880 O LYS A1170 -0.955 -22.193 1.105 1.00 21.83 O ATOM 881 CB LYS A1170 0.957 -20.748 3.149 1.00 25.15 C ATOM 882 CG LYS A1170 1.716 -19.472 3.428 1.00 27.86 C ATOM 883 CD LYS A1170 3.198 -19.765 3.569 1.00 33.30 C ATOM 884 CE LYS A1170 3.485 -20.604 4.808 1.00 44.01 C ATOM 885 NZ LYS A1170 2.709 -20.236 6.030 1.00 51.41 N ATOM 886 HZ1 LYS A1170 2.918 -19.251 6.288 1.00 0.00 H ATOM 887 HZ2 LYS A1170 1.692 -20.337 5.837 1.00 0.00 H ATOM 888 HZ3 LYS A1170 2.978 -20.865 6.813 1.00 0.00 H ATOM 889 H LYS A1170 -0.752 -19.848 4.824 1.00 0.00 H ATOM 890 N THR A1171 -1.707 -22.679 3.173 1.00 20.14 N ATOM 891 CA THR A1171 -2.297 -23.960 2.778 1.00 19.91 C ATOM 892 C THR A1171 -3.752 -23.840 2.337 1.00 19.78 C ATOM 893 O THR A1171 -4.382 -24.865 2.032 1.00 21.03 O ATOM 894 CB THR A1171 -2.220 -24.978 3.927 1.00 20.74 C ATOM 895 OG1 THR A1171 -2.846 -24.427 5.094 1.00 27.24 O ATOM 896 CG2 THR A1171 -0.770 -25.333 4.236 1.00 21.84 C ATOM 897 HG1 THR A1171 -3.794 -24.224 4.894 1.00 0.00 H ATOM 898 H THR A1171 -1.769 -22.381 4.167 1.00 0.00 H ATOM 899 N SER A1172 -4.303 -22.632 2.289 1.00 17.75 N ATOM 900 CA SER A1172 -5.727 -22.467 2.033 1.00 17.25 C ATOM 901 C SER A1172 -6.028 -22.408 0.542 1.00 17.62 C ATOM 902 O SER A1172 -5.185 -22.035 -0.283 1.00 18.41 O ATOM 903 CB SER A1172 -6.260 -21.196 2.691 1.00 18.42 C ATOM 904 OG SER A1172 -5.823 -20.022 2.015 1.00 19.31 O ATOM 905 HG SER A1172 -4.834 -19.985 2.026 1.00 0.00 H ATOM 906 H SER A1172 -3.708 -21.792 2.436 1.00 0.00 H ATOM 907 N ARG A1173 -7.275 -22.764 0.221 1.00 17.92 N ATOM 908 CA ARG A1173 -7.757 -22.749 -1.157 1.00 17.22 C ATOM 909 C ARG A1173 -7.600 -21.370 -1.793 1.00 15.94 C ATOM 910 O ARG A1173 -7.069 -21.248 -2.903 1.00 17.63 O ATOM 911 CB ARG A1173 -9.219 -23.197 -1.162 1.00 20.76 C ATOM 912 CG ARG A1173 -9.985 -22.985 -2.442 1.00 25.29 C ATOM 913 CD ARG A1173 -11.468 -23.319 -2.242 1.00 21.26 C ATOM 914 NE ARG A1173 -12.247 -22.223 -1.670 1.00 19.65 N ATOM 915 CZ ARG A1173 -12.709 -22.192 -0.420 1.00 21.43 C ATOM 916 NH1 ARG A1173 -13.401 -21.144 0.004 1.00 30.84 N ATOM 917 NH2 ARG A1173 -12.477 -23.199 0.409 1.00 26.82 N ATOM 918 HE ARG A1173 -12.456 -21.409 -2.282 1.00 0.00 H ATOM 919 HH12 ARG A1173 -13.762 -21.119 0.979 1.00 0.00 H ATOM 920 HH11 ARG A1173 -13.583 -20.347 -0.638 1.00 0.00 H ATOM 921 HH22 ARG A1173 -12.842 -23.166 1.382 1.00 0.00 H ATOM 922 HH21 ARG A1173 -11.930 -24.023 0.086 1.00 0.00 H ATOM 923 H ARG A1173 -7.924 -23.062 0.978 1.00 0.00 H ATOM 924 N VAL A1174 -8.013 -20.315 -1.084 1.00 15.43 N ATOM 925 CA VAL A1174 -7.978 -18.976 -1.676 1.00 17.14 C ATOM 926 C VAL A1174 -6.531 -18.523 -1.913 1.00 17.50 C ATOM 927 O VAL A1174 -6.226 -17.897 -2.936 1.00 17.26 O ATOM 928 CB VAL A1174 -8.765 -17.979 -0.800 1.00 15.34 C ATOM 929 CG1 VAL A1174 -8.592 -16.533 -1.294 1.00 16.49 C ATOM 930 CG2 VAL A1174 -10.244 -18.342 -0.804 1.00 17.81 C ATOM 931 H VAL A1174 -8.359 -20.445 -0.112 1.00 0.00 H ATOM 932 N TYR A1175 -5.607 -18.857 -0.998 1.00 15.69 N ATOM 933 CA TYR A1175 -4.202 -18.519 -1.227 1.00 14.93 C ATOM 934 C TYR A1175 -3.677 -19.176 -2.501 1.00 17.58 C ATOM 935 O TYR A1175 -2.993 -18.534 -3.309 1.00 18.30 O ATOM 936 CB TYR A1175 -3.369 -18.939 -0.008 1.00 17.66 C ATOM 937 CG TYR A1175 -1.931 -18.471 0.063 1.00 15.79 C ATOM 938 CD1 TYR A1175 -0.950 -19.043 -0.731 1.00 16.36 C ATOM 939 CD2 TYR A1175 -1.548 -17.491 0.965 1.00 16.75 C ATOM 940 CE1 TYR A1175 0.380 -18.647 -0.655 1.00 18.55 C ATOM 941 CE2 TYR A1175 -0.224 -17.080 1.043 1.00 16.76 C ATOM 942 CZ TYR A1175 0.732 -17.660 0.232 1.00 20.24 C ATOM 943 OH TYR A1175 2.052 -17.252 0.318 1.00 24.71 O ATOM 944 HH TYR A1175 2.112 -16.287 0.107 1.00 0.00 H ATOM 945 H TYR A1175 -5.889 -19.354 -0.129 1.00 0.00 H ATOM 946 N LYS A1176 -3.974 -20.469 -2.686 1.00 17.88 N ATOM 947 CA LYS A1176 -3.516 -21.180 -3.875 1.00 17.42 C ATOM 948 C LYS A1176 -4.160 -20.625 -5.144 1.00 15.14 C ATOM 949 O LYS A1176 -3.481 -20.483 -6.168 1.00 18.35 O ATOM 950 CB LYS A1176 -3.787 -22.676 -3.718 1.00 20.62 C ATOM 951 CG LYS A1176 -2.947 -23.277 -2.608 1.00 26.26 C ATOM 952 CD LYS A1176 -3.096 -24.782 -2.546 1.00 35.70 C ATOM 953 CE LYS A1176 -3.747 -25.195 -1.248 1.00 44.66 C ATOM 954 NZ LYS A1176 -4.340 -26.558 -1.341 1.00 42.82 N ATOM 955 HZ1 LYS A1176 -5.062 -26.570 -2.089 1.00 0.00 H ATOM 956 HZ2 LYS A1176 -3.593 -27.245 -1.567 1.00 0.00 H ATOM 957 HZ3 LYS A1176 -4.778 -26.807 -0.431 1.00 0.00 H ATOM 958 H LYS A1176 -4.539 -20.973 -1.973 1.00 0.00 H ATOM 959 N PHE A1177 -5.448 -20.284 -5.080 1.00 17.22 N ATOM 960 CA PHE A1177 -6.111 -19.628 -6.209 1.00 16.34 C ATOM 961 C PHE A1177 -5.408 -18.315 -6.576 1.00 16.86 C ATOM 962 O PHE A1177 -5.185 -18.020 -7.760 1.00 17.98 O ATOM 963 CB PHE A1177 -7.585 -19.358 -5.869 1.00 14.54 C ATOM 964 CG PHE A1177 -8.492 -20.570 -5.943 1.00 17.83 C ATOM 965 CD1 PHE A1177 -7.993 -21.856 -6.115 1.00 21.85 C ATOM 966 CD2 PHE A1177 -9.863 -20.402 -5.807 1.00 18.89 C ATOM 967 CE1 PHE A1177 -8.864 -22.952 -6.180 1.00 22.84 C ATOM 968 CE2 PHE A1177 -10.738 -21.484 -5.879 1.00 19.45 C ATOM 969 CZ PHE A1177 -10.235 -22.758 -6.055 1.00 18.91 C ATOM 970 H PHE A1177 -5.989 -20.487 -4.216 1.00 0.00 H ATOM 971 N CYS A1178 -5.079 -17.496 -5.569 1.00 15.39 N ATOM 972 CA CYS A1178 -4.353 -16.252 -5.806 1.00 16.19 C ATOM 973 C CYS A1178 -3.027 -16.509 -6.508 1.00 15.46 C ATOM 974 O CYS A1178 -2.646 -15.795 -7.437 1.00 17.79 O ATOM 975 CB CYS A1178 -4.113 -15.564 -4.473 1.00 16.87 C ATOM 976 SG CYS A1178 -3.291 -13.980 -4.627 1.00 17.66 S ATOM 977 H CYS A1178 -5.346 -17.752 -4.597 1.00 0.00 H ATOM 978 N SER A1179 -2.279 -17.510 -6.045 1.00 15.88 N ATOM 979 CA SER A1179 -0.991 -17.765 -6.677 1.00 17.14 C ATOM 980 C SER A1179 -1.161 -18.129 -8.151 1.00 18.45 C ATOM 981 O SER A1179 -0.338 -17.742 -8.987 1.00 19.80 O ATOM 982 CB SER A1179 -0.258 -18.878 -5.939 1.00 19.94 C ATOM 983 OG SER A1179 0.083 -18.469 -4.628 1.00 21.52 O ATOM 984 HG SER A1179 0.558 -19.205 -4.167 1.00 0.00 H ATOM 985 H SER A1179 -2.607 -18.096 -5.251 1.00 0.00 H ATOM 986 N LYS A1180 -2.211 -18.887 -8.485 1.00 19.25 N ATOM 987 CA LYS A1180 -2.470 -19.194 -9.890 1.00 22.30 C ATOM 988 C LYS A1180 -2.743 -17.924 -10.696 1.00 20.26 C ATOM 989 O LYS A1180 -2.187 -17.744 -11.785 1.00 20.83 O ATOM 990 CB LYS A1180 -3.627 -20.187 -10.010 1.00 21.32 C ATOM 991 CG LYS A1180 -4.118 -20.386 -11.445 1.00 28.20 C ATOM 992 CD LYS A1180 -3.039 -21.008 -12.325 1.00 29.61 C ATOM 993 CE LYS A1180 -3.563 -21.251 -13.736 1.00 36.92 C ATOM 994 NZ LYS A1180 -2.526 -21.890 -14.594 1.00 42.01 N ATOM 995 HZ1 LYS A1180 -1.694 -21.269 -14.651 1.00 0.00 H ATOM 996 HZ2 LYS A1180 -2.250 -22.803 -14.180 1.00 0.00 H ATOM 997 HZ3 LYS A1180 -2.912 -22.042 -15.547 1.00 0.00 H ATOM 998 H LYS A1180 -2.842 -19.257 -7.746 1.00 0.00 H ATOM 999 N LEU A1181 -3.584 -17.023 -10.171 1.00 19.24 N ATOM 1000 CA LEU A1181 -3.852 -15.770 -10.882 1.00 16.84 C ATOM 1001 C LEU A1181 -2.578 -14.959 -11.080 1.00 20.69 C ATOM 1002 O LEU A1181 -2.365 -14.361 -12.146 1.00 19.24 O ATOM 1003 CB LEU A1181 -4.883 -14.931 -10.134 1.00 20.16 C ATOM 1004 CG LEU A1181 -6.310 -15.447 -9.979 1.00 23.69 C ATOM 1005 CD1 LEU A1181 -7.252 -14.279 -9.723 1.00 23.24 C ATOM 1006 CD2 LEU A1181 -6.763 -16.224 -11.193 1.00 25.16 C ATOM 1007 H LEU A1181 -4.047 -17.213 -9.259 1.00 0.00 H ATOM 1008 N ALA A1182 -1.729 -14.899 -10.053 1.00 18.10 N ATOM 1009 CA ALA A1182 -0.506 -14.112 -10.160 1.00 18.22 C ATOM 1010 C ALA A1182 0.431 -14.679 -11.222 1.00 21.96 C ATOM 1011 O ALA A1182 1.112 -13.918 -11.923 1.00 21.57 O ATOM 1012 CB ALA A1182 0.185 -14.038 -8.798 1.00 18.36 C ATOM 1013 H ALA A1182 -1.940 -15.414 -9.175 1.00 0.00 H ATOM 1014 N GLU A1183 0.477 -16.010 -11.356 1.00 21.41 N ATOM 1015 CA GLU A1183 1.278 -16.633 -12.411 1.00 23.20 C ATOM 1016 C GLU A1183 0.771 -16.221 -13.789 1.00 26.54 C ATOM 1017 O GLU A1183 1.557 -15.865 -14.677 1.00 24.43 O ATOM 1018 CB GLU A1183 1.234 -18.157 -12.271 1.00 24.85 C ATOM 1019 CG GLU A1183 2.080 -18.721 -11.140 1.00 33.11 C ATOM 1020 CD GLU A1183 1.766 -20.180 -10.841 1.00 50.48 C ATOM 1021 OE1 GLU A1183 1.066 -20.822 -11.653 1.00 54.06 O ATOM 1022 OE2 GLU A1183 2.221 -20.687 -9.790 1.00 53.80 O ATOM 1023 H GLU A1183 -0.064 -16.610 -10.701 1.00 0.00 H ATOM 1024 N VAL A1184 -0.550 -16.258 -13.973 1.00 21.29 N ATOM 1025 CA VAL A1184 -1.164 -15.840 -15.233 1.00 20.66 C ATOM 1026 C VAL A1184 -0.864 -14.374 -15.512 1.00 23.57 C ATOM 1027 O VAL A1184 -0.484 -14.003 -16.630 1.00 23.60 O ATOM 1028 CB VAL A1184 -2.679 -16.100 -15.194 1.00 21.55 C ATOM 1029 CG1 VAL A1184 -3.382 -15.428 -16.386 1.00 25.11 C ATOM 1030 CG2 VAL A1184 -2.956 -17.597 -15.180 1.00 22.11 C ATOM 1031 H VAL A1184 -1.159 -16.593 -13.200 1.00 0.00 H ATOM 1032 N PHE A1185 -1.039 -13.516 -14.501 1.00 19.27 N ATOM 1033 CA PHE A1185 -0.828 -12.085 -14.708 1.00 20.29 C ATOM 1034 C PHE A1185 0.611 -11.792 -15.109 1.00 23.58 C ATOM 1035 O PHE A1185 0.857 -10.985 -16.013 1.00 23.52 O ATOM 1036 CB PHE A1185 -1.188 -11.294 -13.448 1.00 20.60 C ATOM 1037 CG PHE A1185 -1.201 -9.811 -13.653 1.00 19.69 C ATOM 1038 CD1 PHE A1185 -2.133 -9.218 -14.487 1.00 20.62 C ATOM 1039 CD2 PHE A1185 -0.281 -9.004 -13.010 1.00 21.20 C ATOM 1040 CE1 PHE A1185 -2.143 -7.837 -14.665 1.00 20.78 C ATOM 1041 CE2 PHE A1185 -0.285 -7.625 -13.185 1.00 21.12 C ATOM 1042 CZ PHE A1185 -1.212 -7.044 -14.019 1.00 22.53 C ATOM 1043 H PHE A1185 -1.326 -13.868 -13.565 1.00 0.00 H ATOM 1044 N GLU A1186 1.579 -12.446 -14.462 1.00 21.99 N ATOM 1045 CA GLU A1186 2.975 -12.187 -14.802 1.00 26.62 C ATOM 1046 C GLU A1186 3.263 -12.526 -16.262 1.00 30.51 C ATOM 1047 O GLU A1186 4.000 -11.801 -16.939 1.00 32.63 O ATOM 1048 CB GLU A1186 3.894 -12.965 -13.860 1.00 27.34 C ATOM 1049 CG GLU A1186 4.015 -12.325 -12.489 1.00 33.10 C ATOM 1050 H GLU A1186 1.340 -13.135 -13.721 1.00 0.00 H ATOM 1051 N GLN A1187 2.665 -13.606 -16.775 1.00 24.49 N ATOM 1052 CA GLN A1187 2.861 -13.964 -18.177 1.00 30.77 C ATOM 1053 C GLN A1187 2.244 -12.931 -19.116 1.00 29.26 C ATOM 1054 O GLN A1187 2.817 -12.623 -20.167 1.00 35.20 O ATOM 1055 CB GLN A1187 2.280 -15.349 -18.451 1.00 40.03 C ATOM 1056 CG GLN A1187 2.871 -16.439 -17.581 1.00 52.81 C ATOM 1057 CD GLN A1187 2.341 -17.813 -17.928 1.00 66.28 C ATOM 1058 OE1 GLN A1187 1.393 -17.948 -18.704 1.00 69.48 O ATOM 1059 NE2 GLN A1187 2.948 -18.845 -17.351 1.00 72.90 N ATOM 1060 HE22 GLN A1187 3.745 -18.683 -16.702 1.00 0.00 H ATOM 1061 HE21 GLN A1187 2.626 -19.814 -17.548 1.00 0.00 H ATOM 1062 H GLN A1187 2.056 -14.195 -16.172 1.00 0.00 H ATOM 1063 N GLU A1188 1.092 -12.371 -18.749 1.00 26.91 N ATOM 1064 CA GLU A1188 0.345 -11.516 -19.664 1.00 26.31 C ATOM 1065 C GLU A1188 0.789 -10.060 -19.624 1.00 29.70 C ATOM 1066 O GLU A1188 0.799 -9.390 -20.667 1.00 28.90 O ATOM 1067 CB GLU A1188 -1.152 -11.597 -19.354 1.00 28.82 C ATOM 1068 CG GLU A1188 -1.715 -13.005 -19.388 1.00 37.24 C ATOM 1069 CD GLU A1188 -2.327 -13.361 -20.728 1.00 53.60 C ATOM 1070 OE1 GLU A1188 -2.680 -12.430 -21.486 1.00 61.61 O ATOM 1071 OE2 GLU A1188 -2.455 -14.570 -21.024 1.00 54.72 O ATOM 1072 H GLU A1188 0.719 -12.547 -17.794 1.00 0.00 H ATOM 1073 N ILE A1189 1.160 -9.552 -18.446 1.00 27.99 N ATOM 1074 CA ILE A1189 1.390 -8.112 -18.313 1.00 25.00 C ATOM 1075 C ILE A1189 2.702 -7.685 -18.960 1.00 29.87 C ATOM 1076 O ILE A1189 2.818 -6.545 -19.426 1.00 26.81 O ATOM 1077 CB ILE A1189 1.327 -7.681 -16.833 1.00 24.07 C ATOM 1078 CG1 ILE A1189 1.155 -6.162 -16.716 1.00 25.93 C ATOM 1079 CG2 ILE A1189 2.581 -8.103 -16.077 1.00 26.08 C ATOM 1080 CD1 ILE A1189 -0.097 -5.634 -17.380 1.00 24.85 C ATOM 1081 H ILE A1189 1.285 -10.178 -17.625 1.00 0.00 H ATOM 1082 N ASP A1190 3.695 -8.576 -19.025 1.00 29.91 N ATOM 1083 CA ASP A1190 5.033 -8.164 -19.449 1.00 34.00 C ATOM 1084 C ASP A1190 5.070 -7.593 -20.864 1.00 32.62 C ATOM 1085 O ASP A1190 5.552 -6.459 -21.030 1.00 36.84 O ATOM 1086 CB ASP A1190 6.004 -9.340 -19.282 1.00 40.92 C ATOM 1087 H ASP A1190 3.516 -9.569 -18.773 1.00 0.00 H ATOM 1088 N PRO A1191 4.590 -8.281 -21.908 1.00 31.28 N ATOM 1089 CA PRO A1191 4.656 -7.676 -23.247 1.00 36.26 C ATOM 1090 C PRO A1191 3.701 -6.508 -23.431 1.00 36.54 C ATOM 1091 O PRO A1191 3.972 -5.625 -24.255 1.00 33.83 O ATOM 1092 CB PRO A1191 4.304 -8.844 -24.176 1.00 39.27 C ATOM 1093 CG PRO A1191 3.435 -9.711 -23.352 1.00 41.92 C ATOM 1094 CD PRO A1191 3.988 -9.628 -21.957 1.00 37.68 C ATOM 1095 N VAL A1192 2.592 -6.469 -22.690 1.00 35.06 N ATOM 1096 CA VAL A1192 1.674 -5.341 -22.812 1.00 29.05 C ATOM 1097 C VAL A1192 2.336 -4.060 -22.316 1.00 30.55 C ATOM 1098 O VAL A1192 2.250 -3.007 -22.959 1.00 29.77 O ATOM 1099 CB VAL A1192 0.359 -5.630 -22.066 1.00 25.52 C ATOM 1100 CG1 VAL A1192 -0.483 -4.365 -21.988 1.00 28.16 C ATOM 1101 CG2 VAL A1192 -0.409 -6.721 -22.786 1.00 26.59 C ATOM 1102 H VAL A1192 2.382 -7.242 -22.026 1.00 0.00 H ATOM 1103 N MET A1193 3.018 -4.124 -21.171 1.00 27.44 N ATOM 1104 CA MET A1193 3.704 -2.927 -20.697 1.00 30.05 C ATOM 1105 C MET A1193 4.846 -2.520 -21.624 1.00 33.74 C ATOM 1106 O MET A1193 5.141 -1.325 -21.750 1.00 33.96 O ATOM 1107 CB MET A1193 4.204 -3.126 -19.266 1.00 27.28 C ATOM 1108 CG MET A1193 3.094 -3.381 -18.261 1.00 29.07 C ATOM 1109 SD MET A1193 2.006 -1.953 -17.971 1.00 32.06 S ATOM 1110 CE MET A1193 3.172 -0.580 -18.038 1.00 45.97 C ATOM 1111 H MET A1193 3.060 -5.010 -20.627 1.00 0.00 H ATOM 1112 N GLN A1194 5.484 -3.485 -22.291 1.00 30.54 N ATOM 1113 CA GLN A1194 6.539 -3.141 -23.240 1.00 37.99 C ATOM 1114 C GLN A1194 5.980 -2.351 -24.417 1.00 41.99 C ATOM 1115 O GLN A1194 6.595 -1.378 -24.867 1.00 48.27 O ATOM 1116 CB GLN A1194 7.248 -4.406 -23.728 1.00 42.78 C ATOM 1117 CG GLN A1194 8.082 -5.097 -22.658 1.00 53.40 C ATOM 1118 CD GLN A1194 9.233 -4.236 -22.169 1.00 62.87 C ATOM 1119 OE1 GLN A1194 9.407 -4.033 -20.966 1.00 63.73 O ATOM 1120 NE2 GLN A1194 10.027 -3.725 -23.104 1.00 67.87 N ATOM 1121 HE22 GLN A1194 9.842 -3.923 -24.108 1.00 0.00 H ATOM 1122 HE21 GLN A1194 10.833 -3.127 -22.832 1.00 0.00 H ATOM 1123 H GLN A1194 5.230 -4.481 -22.135 1.00 0.00 H ATOM 1124 N SER A1195 4.809 -2.747 -24.919 1.00 39.39 N ATOM 1125 CA SER A1195 4.179 -2.023 -26.017 1.00 40.66 C ATOM 1126 C SER A1195 3.694 -0.636 -25.603 1.00 43.46 C ATOM 1127 O SER A1195 3.503 0.224 -26.472 1.00 43.57 O ATOM 1128 CB SER A1195 3.015 -2.843 -26.575 1.00 44.87 C ATOM 1129 OG SER A1195 1.841 -2.652 -25.801 1.00 48.90 O ATOM 1130 HG SER A1195 2.012 -2.937 -24.868 1.00 0.00 H ATOM 1131 H SER A1195 4.338 -3.585 -24.521 1.00 0.00 H ATOM 1132 N LEU A1196 3.485 -0.400 -24.310 1.00 41.66 N ATOM 1133 CA LEU A1196 3.046 0.905 -23.822 1.00 40.84 C ATOM 1134 C LEU A1196 4.236 1.797 -23.460 1.00 47.78 C ATOM 1135 O LEU A1196 4.105 3.021 -23.370 1.00 48.30 O ATOM 1136 CB LEU A1196 2.129 0.746 -22.605 1.00 34.60 C ATOM 1137 CG LEU A1196 0.741 0.138 -22.817 1.00 37.99 C ATOM 1138 CD1 LEU A1196 0.076 -0.134 -21.475 1.00 38.97 C ATOM 1139 CD2 LEU A1196 -0.135 1.041 -23.672 1.00 37.43 C ATOM 1140 H LEU A1196 3.639 -1.168 -23.626 1.00 0.00 H ATOM 1141 N GLY A1197 5.392 1.179 -23.242 1.00 48.82 N ATOM 1142 CA GLY A1197 6.593 1.913 -22.880 1.00 48.63 C ATOM 1143 H GLY A1197 5.438 0.144 -23.333 1.00 0.00 H TER 1144 GLY A1197 HETATM 1145 O HOH 1 -16.287 -8.619 -11.644 1.00 32.96 O HETATM 1146 O HOH 2 4.383 -19.190 -15.361 1.00 48.30 O HETATM 1147 O HOH 3 -13.913 -7.024 8.999 1.00 29.75 O HETATM 1148 O HOH 4 -7.266 -12.194 -22.549 1.00 36.58 O HETATM 1149 O HOH 5 -3.403 -27.055 1.170 1.00 36.48 O HETATM 1150 O HOH 6 -7.943 -10.520 0.278 1.00 16.85 O HETATM 1151 O HOH 7 -23.294 -16.062 2.880 1.00 35.87 O HETATM 1152 O HOH 8 -7.520 -21.885 -14.487 1.00 33.71 O HETATM 1153 O HOH 9 -17.330 -14.952 -7.195 1.00 32.94 O HETATM 1154 O HOH 10 -15.915 -4.081 -19.361 1.00 39.50 O HETATM 1155 O HOH 11 -8.370 -4.856 -26.366 1.00 39.11 O HETATM 1156 O HOH 12 -19.640 -6.263 -10.266 1.00 39.10 O HETATM 1157 O HOH 13 -8.638 0.328 -1.721 1.00 30.56 O HETATM 1158 O HOH 14 -8.707 -1.355 9.442 1.00 38.17 O HETATM 1159 O HOH 15 -1.815 10.285 -18.468 1.00 38.73 O HETATM 1160 O HOH 16 -9.131 -18.648 3.497 1.00 21.09 O HETATM 1161 O HOH 17 4.149 -9.546 -3.151 1.00 31.42 O HETATM 1162 O HOH 18 -3.455 -4.406 4.991 1.00 29.83 O HETATM 1163 O HOH 19 0.963 -22.232 -0.799 1.00 31.07 O HETATM 1164 O HOH 20 -3.060 -5.931 -25.087 1.00 36.23 O HETATM 1165 O HOH 21 -12.353 -4.514 -3.193 1.00 24.55 O HETATM 1166 O HOH 22 3.659 -19.638 -7.740 1.00 41.86 O HETATM 1167 O HOH 23 -17.903 -10.917 -0.525 1.00 32.90 O HETATM 1168 O HOH 24 -6.949 2.405 4.439 1.00 35.18 O HETATM 1169 O HOH 25 -13.483 -5.766 0.626 1.00 30.37 O HETATM 1170 O HOH 26 -4.915 -21.429 -17.017 1.00 46.25 O HETATM 1171 O HOH 27 -2.312 -5.987 8.456 1.00 33.34 O HETATM 1172 O HOH 28 -12.501 -10.317 -3.517 1.00 18.46 O HETATM 1173 O HOH 29 -4.265 -3.841 2.353 1.00 22.88 O HETATM 1174 O HOH 30 -9.927 -9.471 -3.895 1.00 22.34 O HETATM 1175 O HOH 31 2.245 -15.193 2.154 1.00 34.64 O HETATM 1176 O HOH 32 -19.452 -7.869 -2.367 1.00 35.46 O HETATM 1177 O HOH 33 -3.491 2.505 -8.498 1.00 29.93 O HETATM 1178 O HOH 34 -0.444 3.568 -8.153 1.00 31.22 O HETATM 1179 O HOH 35 -6.210 2.230 -5.836 1.00 29.37 O HETATM 1180 O HOH 36 -8.931 3.366 -19.036 1.00 28.48 O HETATM 1181 O HOH 37 -16.942 -1.881 -9.465 1.00 34.79 O HETATM 1182 O HOH 38 -17.006 4.043 -20.141 1.00 35.19 O HETATM 1183 O HOH 39 -8.952 -7.213 -1.129 1.00 22.26 O HETATM 1184 O HOH 40 -0.756 -10.258 -22.821 1.00 38.74 O HETATM 1185 O HOH 41 0.411 -21.015 -3.513 1.00 27.79 O HETATM 1186 O HOH 42 -17.820 -3.444 -7.319 1.00 34.95 O HETATM 1187 O HOH 43 -8.168 4.739 -17.192 1.00 32.71 O HETATM 1188 O HOH 44 -1.400 -5.690 0.657 1.00 27.35 O HETATM 1189 O HOH 45 -7.754 -9.630 -2.341 1.00 19.57 O HETATM 1190 O HOH 46 -16.267 4.607 -11.982 1.00 37.80 O HETATM 1191 O HOH 47 -3.963 -15.779 8.152 1.00 38.09 O HETATM 1192 O HOH 48 -5.113 -13.586 8.655 1.00 36.21 O HETATM 1193 O HOH 49 -5.666 4.382 -9.054 1.00 29.00 O HETATM 1194 O HOH 50 -5.710 -24.198 5.217 1.00 38.89 O HETATM 1195 O HOH 51 -1.504 -22.274 -7.262 1.00 30.17 O HETATM 1196 O HOH 52 -17.535 -19.106 -5.221 1.00 30.00 O HETATM 1197 O HOH 53 -17.575 -19.026 6.385 1.00 35.11 O HETATM 1198 O HOH 54 -5.937 7.981 -18.962 1.00 34.27 O HETATM 1199 O HOH 55 -6.897 -26.061 2.872 1.00 31.61 O HETATM 1200 O HOH 56 -10.255 -16.623 7.584 1.00 30.63 O HETATM 1201 O HOH 57 -10.999 -25.715 0.401 1.00 31.69 O HETATM 1202 O HOH 58 -7.270 -16.812 7.113 1.00 30.08 O HETATM 1203 O HOH 59 -17.398 -4.784 1.182 1.00 32.88 O HETATM 1204 O HOH 60 -16.707 -18.057 -15.449 1.00 47.51 O HETATM 1205 O HOH 61 -16.654 -18.085 0.391 1.00 36.79 O HETATM 1206 O HOH 62 -13.173 -23.937 3.167 1.00 33.88 O HETATM 1207 O HOH 63 -24.020 -13.854 6.358 1.00 37.14 O HETATM 1208 O HOH 64 4.454 -16.468 -14.519 1.00 38.23 O HETATM 1209 O HOH 65 -7.088 -19.056 5.433 1.00 22.17 O HETATM 1210 O HOH 66 -18.617 -17.920 -1.326 1.00 43.22 O HETATM 1211 O HOH 67 -9.060 -24.182 2.196 1.00 29.15 O HETATM 1212 O HOH 68 -8.368 1.593 0.415 1.00 37.22 O HETATM 1213 O HOH 69 2.454 -17.075 -7.998 1.00 31.30 O HETATM 1214 O HOH 70 -12.078 -6.728 -1.572 1.00 26.65 O HETATM 1215 O HOH 71 4.181 -6.623 -12.739 1.00 36.82 O HETATM 1216 O HOH 72 0.529 -4.602 -0.978 1.00 27.82 O HETATM 1217 O HOH 73 -9.763 -22.053 -16.044 1.00 34.08 O HETATM 1218 O HOH 74 -9.576 -20.626 1.571 1.00 20.77 O HETATM 1219 O HOH 75 -13.095 3.173 -7.357 1.00 37.40 O HETATM 1220 O HOH 76 -14.632 -21.893 2.762 1.00 43.46 O HETATM 1221 O HOH 77 -13.114 -5.206 11.291 1.00 39.81 O HETATM 1222 O HOH 78 -14.244 -18.879 -17.883 1.00 44.81 O HETATM 1223 O HOH 79 -11.935 5.065 -9.108 1.00 31.42 O HETATM 1224 O HOH 80 -20.121 -12.285 -0.841 1.00 36.25 O HETATM 1225 O HOH 81 -18.939 -16.880 -6.565 1.00 36.79 O HETATM 1226 O HOH 82 -17.436 -6.941 -13.057 1.00 43.01 O HETATM 1227 O HOH 83 -1.781 -2.363 1.843 1.00 32.29 O HETATM 1228 O HOH 84 -16.929 -20.296 -0.500 1.00 38.34 O HETATM 1229 O HOH 85 -18.740 -4.564 3.177 1.00 40.36 O HETATM 1230 O HOH 86 -16.362 -5.551 9.112 1.00 39.80 O HETATM 1231 O HOH 87 -11.212 -17.772 4.993 1.00 26.40 O HETATM 1232 O HOH 88 5.405 -9.277 -13.360 1.00 41.10 O HETATM 1233 O HOH 89 -7.156 -21.619 6.318 1.00 35.67 O HETATM 1234 O HOH 90 -2.525 -23.942 -9.266 1.00 45.11 O HETATM 1235 O HOH 91 -26.079 -3.917 4.603 1.00 40.50 O HETATM 1236 CAA E A 3 -14.548 -17.381 3.416 1.00 -0.04 C HETATM 1237 CAQ E A 3 -13.647 -17.929 2.312 1.00 0.07 C HETATM 1238 OAT E A 3 -13.934 -17.230 1.100 1.00 -0.31 O HETATM 1239 CBD E A 3 -13.024 -16.222 0.843 1.00 0.11 C HETATM 1240 CAL E A 3 -12.009 -15.844 1.732 1.00 -0.02 C HETATM 1241 CAK E A 3 -11.119 -14.819 1.406 1.00 -0.05 C HETATM 1242 CAZ E A 3 -11.232 -14.173 0.173 1.00 0.02 C HETATM 1243 CAP E A 3 -12.248 -14.577 -0.709 1.00 -0.04 C HETATM 1244 CBF E A 3 -13.161 -15.602 -0.395 1.00 0.01 C HETATM 1245 CBA E A 3 -14.146 -15.981 -1.350 1.00 -0.04 C HETATM 1246 CAM E A 3 -14.156 -17.257 -1.963 1.00 -0.05 C HETATM 1247 CAY E A 3 -15.109 -17.605 -2.933 1.00 0.05 C HETATM 1248 CAN E A 3 -16.072 -16.637 -3.294 1.00 -0.05 C HETATM 1249 CBB E A 3 -16.104 -15.358 -2.719 1.00 -0.06 C HETATM 1250 CAO E A 3 -15.124 -15.071 -1.756 1.00 -0.08 C HETATM 1251 H20 E A 3 -15.127 -14.087 -1.302 1.00 0.04 H HETATM 1252 CBG E A 3 -17.053 -14.433 -3.097 1.00 0.07 C HETATM 1253 CBC E A 3 -16.873 -13.095 -3.270 1.00 0.15 C HETATM 1254 CAD E A 3 -15.611 -12.237 -3.085 1.00 0.02 C HETATM 1255 H10 E A 3 -15.844 -11.187 -3.317 1.00 0.05 H HETATM 1256 H11 E A 3 -14.821 -12.596 -3.762 1.00 0.05 H HETATM 1257 H12 E A 3 -15.265 -12.314 -2.044 1.00 0.05 H HETATM 1258 OAV E A 3 -18.041 -12.502 -3.657 1.00 -0.15 O HETATM 1259 NBI E A 3 -18.973 -13.539 -3.736 1.00 -0.12 N HETATM 1260 CAR E A 3 -20.364 -13.287 -4.128 1.00 0.07 C HETATM 1261 CAB E A 3 -20.461 -11.868 -4.681 1.00 -0.04 C HETATM 1262 H4 E A 3 -21.499 -11.661 -4.981 1.00 0.03 H HETATM 1263 H5 E A 3 -19.801 -11.769 -5.555 1.00 0.03 H HETATM 1264 H6 E A 3 -20.153 -11.151 -3.906 1.00 0.03 H HETATM 1265 H24 E A 3 -20.668 -14.008 -4.901 1.00 0.06 H HETATM 1266 H25 E A 3 -21.021 -13.390 -3.252 1.00 0.06 H HETATM 1267 CBH E A 3 -18.353 -14.671 -3.397 1.00 0.20 C HETATM 1268 OAG E A 3 -18.936 -15.761 -3.370 1.00 -0.42 O HETATM 1269 H19 E A 3 -16.813 -16.892 -4.043 1.00 0.04 H HETATM 1270 NAS E A 3 -15.178 -18.826 -3.580 1.00 -0.24 N HETATM 1271 CAX E A 3 -14.324 -19.881 -3.417 1.00 0.26 C HETATM 1272 CBE E A 3 -14.554 -20.982 -4.165 1.00 0.19 C HETATM 1273 CAJ E A 3 -15.375 -21.127 -5.205 1.00 -0.04 C HETATM 1274 CAH E A 3 -15.288 -22.395 -5.654 1.00 -0.06 C HETATM 1275 CAI E A 3 -14.402 -23.054 -4.906 1.00 0.09 C HETATM 1276 OAU E A 3 -13.920 -22.126 -3.961 1.00 -0.25 O HETATM 1277 H14 E A 3 -14.110 -24.098 -5.005 1.00 0.10 H HETATM 1278 H13 E A 3 -15.848 -22.812 -6.489 1.00 0.04 H HETATM 1279 H15 E A 3 -16.012 -20.349 -5.623 1.00 0.04 H HETATM 1280 OAF E A 3 -13.377 -19.902 -2.644 1.00 -0.38 O HETATM 1281 H26 E A 3 -15.927 -18.949 -4.231 1.00 0.22 H HETATM 1282 H18 E A 3 -13.407 -17.986 -1.675 1.00 0.04 H HETATM 1283 H21 E A 3 -12.332 -14.080 -1.669 1.00 0.07 H HETATM 1284 CAW E A 3 -10.289 -13.172 -0.149 1.00 0.12 C HETATM 1285 CAC E A 3 -10.442 -12.460 -1.498 1.00 0.01 C HETATM 1286 H7 E A 3 -9.643 -11.712 -1.611 1.00 0.04 H HETATM 1287 H8 E A 3 -11.421 -11.960 -1.540 1.00 0.04 H HETATM 1288 H9 E A 3 -10.371 -13.197 -2.312 1.00 0.04 H HETATM 1289 OAE E A 3 -9.313 -12.916 0.567 1.00 -0.38 O HETATM 1290 H16 E A 3 -10.345 -14.526 2.106 1.00 0.06 H HETATM 1291 H17 E A 3 -11.914 -16.354 2.684 1.00 0.06 H HETATM 1292 H22 E A 3 -13.841 -19.003 2.175 1.00 0.06 H HETATM 1293 H23 E A 3 -12.592 -17.778 2.586 1.00 0.06 H HETATM 1294 H1 E A 3 -14.338 -17.910 4.357 1.00 0.03 H HETATM 1295 H2 E A 3 -15.602 -17.531 3.138 1.00 0.03 H HETATM 1296 H3 E A 3 -14.353 -16.306 3.549 1.00 0.03 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1236 1237 1294 1295 1296 CONECT 1237 1236 1238 1292 1293 CONECT 1238 1237 1239 CONECT 1239 1238 1240 1244 CONECT 1240 1239 1241 1291 CONECT 1241 1240 1242 1290 CONECT 1242 1241 1243 1284 CONECT 1243 1242 1244 1283 CONECT 1244 1239 1243 1245 CONECT 1245 1244 1246 1250 CONECT 1246 1245 1247 1282 CONECT 1247 1246 1248 1270 CONECT 1248 1247 1249 1269 CONECT 1249 1248 1250 1252 CONECT 1250 1245 1249 1251 CONECT 1251 1250 CONECT 1252 1249 1253 1267 CONECT 1253 1252 1254 1258 CONECT 1254 1253 1255 1256 1257 CONECT 1255 1254 CONECT 1256 1254 CONECT 1257 1254 CONECT 1258 1253 1259 CONECT 1259 1258 1260 1267 CONECT 1260 1259 1261 1265 1266 CONECT 1261 1260 1262 1263 1264 CONECT 1262 1261 CONECT 1263 1261 CONECT 1264 1261 CONECT 1265 1260 CONECT 1266 1260 CONECT 1267 1252 1259 1268 CONECT 1268 1267 CONECT 1269 1248 CONECT 1270 1247 1271 1281 CONECT 1271 1270 1272 1280 CONECT 1272 1271 1273 1276 CONECT 1273 1272 1274 1279 CONECT 1274 1273 1275 1278 CONECT 1275 1274 1276 1277 CONECT 1276 1272 1275 CONECT 1277 1275 CONECT 1278 1274 CONECT 1279 1273 CONECT 1280 1271 CONECT 1281 1270 CONECT 1282 1246 CONECT 1283 1243 CONECT 1284 1242 1285 1289 CONECT 1285 1284 1286 1287 1288 CONECT 1286 1285 CONECT 1287 1285 CONECT 1288 1285 CONECT 1289 1284 CONECT 1290 1241 CONECT 1291 1240 CONECT 1292 1237 CONECT 1293 1237 CONECT 1294 1236 CONECT 1295 1236 CONECT 1296 1236 MASTER 0 0 0 0 0 0 0 0 1295 1 65 9 END
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Structure:
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Related entries of code: 6fr0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2l84
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PDBbind
121aa, >2L84_1|Chain... at 96%
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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%
5ktx
RCSB PDB
PDBbind
114aa, >5KTX_1|Chain... at 97%
5lpj
RCSB PDB
PDBbind
119aa, >5LPJ_1|Chain... at 98%
5lpk
RCSB PDB
PDBbind
122aa, >5LPK_1|Chains... at 92%
5lpl
RCSB PDB
PDBbind
119aa, >5LPL_1|Chain... at 98%
5lpm
RCSB PDB
PDBbind
116aa, >5LPM_1|Chains... at 94%
5mme
RCSB PDB
PDBbind
119aa, >5MME_1|Chains... at 98%
5mmg
RCSB PDB
PDBbind
119aa, >5MMG_1|Chain... at 98%
5mpk
RCSB PDB
PDBbind
119aa, >5MPK_1|Chains... at 98%
5mpn
RCSB PDB
PDBbind
119aa, >5MPN_1|Chain... at 98%
5mpz
RCSB PDB
PDBbind
119aa, >5MPZ_1|Chain... at 98%
5mqe
RCSB PDB
PDBbind
119aa, >5MQE_1|Chains... at 98%
5nlk
RCSB PDB
PDBbind
119aa, >5NLK_1|Chain... at 98%
5nu3
RCSB PDB
PDBbind
119aa, >5NU3_1|Chain... at 98%
5nu5
RCSB PDB
PDBbind
116aa, >5NU5_1|Chains... at 94%
5tb6
RCSB PDB
PDBbind
119aa, >5TB6_1|Chain... at 98%
5w0e
RCSB PDB
PDBbind
148aa, >5W0E_1|Chain... at 100%
5w0f
RCSB PDB
PDBbind
148aa, >5W0F_1|Chain... at 100%
5w0i
RCSB PDB
PDBbind
148aa, >5W0I_1|Chain... at 100%
5w0l
RCSB PDB
PDBbind
148aa, >5W0L_1|Chains... at 100%
5w0q
RCSB PDB
PDBbind
148aa, >5W0Q_1|Chain... at 100%
6axq
RCSB PDB
PDBbind
114aa, >6AXQ_1|Chains... at 98%
6ay3
RCSB PDB
PDBbind
115aa, >6AY3_1|Chains... at 100%
6ay5
RCSB PDB
PDBbind
115aa, >6AY5_1|Chain... at 100%
6fqo
RCSB PDB
PDBbind
119aa, >6FQO_1|Chains... at 98%
6fqu
RCSB PDB
PDBbind
119aa, >6FQU_1|Chain... at 98%
6frf
RCSB PDB
PDBbind
119aa, >6FRF_1|Chains... at 98%
6alc
RCSB PDB
PDBbind
114aa, >6ALC_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6fr0
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
CREB-binding protein
Ligand Name
E3H
EC.Number
E.C.2.3.1.48
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
IC50=0.146uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) ACS Med Chem Lett Vol. 9: pp. 929-934
Ligand Properties
Formula
C
2
7
H
2
6
N
2
O
6
Molecular Weight
474.505
Exact Mass
474.179
No. of atoms
61
No. of bonds
64
Polar Surface Area
103.68
LOGP Value
4.16 (
Computed with XLOGP3
)
5.62 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
Canonical SMILES
CCOc1ccc(cc1c1cc(NC(=O)c2ccco2)cc(c1)c1c(C)on(c1=O)CC)C(=O)C
InChI String
InChI=1S/C27H26N2O6/c1-5-29-27(32)25(17(4)35-29)20-12-19(13-21(14-20)28-26(31)24-8-7-11-34-24)22-15-18(16(3)30)9-10-23(22)33-6-2/h7-15H,5-6H2,1-4H3,(H,28,31)
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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