Browse entries in the PDBbind-CN Database
HEADER 6HDO_COMPLEX COMPND 6HDO_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 130 SER MET GLN GLU GLU ASP THR PHE ARG GLU LEU ARG ILE SEQRES 2 A 130 PHE LEU ARG ASN VAL THR HIS ARG LEU ALA ILE ASP LYS SEQRES 3 A 130 ARG PHE ARG VAL PHE THR LYS PRO VAL ASP PRO ASP GLU SEQRES 4 A 130 VAL PRO ASP TYR VAL THR VAL ILE LYS GLN PRO MET ASP SEQRES 5 A 130 LEU SER SER VAL ILE SER LYS ILE ASP LEU HIS LYS TYR SEQRES 6 A 130 LEU THR VAL LYS ASP TYR LEU ARG ASP ILE ASP LEU ILE SEQRES 7 A 130 CYS SER ASN ALA LEU GLU TYR ASN PRO ASP ARG ASP PRO SEQRES 8 A 130 GLY ASP ARG LEU ILE ARG HIS ARG ALA CYS ALA LEU ARG SEQRES 9 A 130 ASP THR ALA TYR ALA ILE ILE LYS GLU GLU LEU ASP GLU SEQRES 10 A 130 ASP PHE GLU GLN LEU CYS GLU GLU ILE GLN GLU SER ARG HET FZH A 311 77 ATOM 1 N SER A 979 12.857 45.588 -3.580 1.00121.51 N ATOM 2 CA SER A 979 13.375 45.790 -4.975 1.00124.51 C ATOM 3 C SER A 979 12.296 46.445 -5.863 1.00129.97 C ATOM 4 O SER A 979 11.327 47.002 -5.345 1.00110.49 O ATOM 5 CB SER A 979 13.849 44.442 -5.541 1.00102.66 C ATOM 6 OG SER A 979 12.919 43.424 -5.220 1.00 79.49 O ATOM 7 HG SER A 979 13.235 42.562 -5.589 1.00 0.00 H ATOM 8 HN3 SER A 979 12.021 44.970 -3.608 1.00 0.00 H ATOM 9 HN2 SER A 979 12.596 46.508 -3.172 1.00 0.00 H ATOM 10 HN1 SER A 979 13.597 45.146 -2.997 1.00 0.00 H ATOM 11 N MET A 980 12.490 46.422 -7.183 1.00142.51 N ATOM 12 CA MET A 980 11.418 46.745 -8.142 1.00131.11 C ATOM 13 C MET A 980 10.537 45.514 -8.373 1.00114.20 C ATOM 14 O MET A 980 9.320 45.623 -8.477 1.00106.11 O ATOM 15 CB MET A 980 11.996 47.232 -9.478 1.00130.37 C ATOM 16 H MET A 980 13.430 46.167 -7.548 1.00 0.00 H ATOM 17 N GLN A 981 11.159 44.339 -8.454 1.00126.24 N ATOM 18 CA GLN A 981 10.425 43.062 -8.545 1.00124.56 C ATOM 19 C GLN A 981 9.414 42.858 -7.399 1.00103.70 C ATOM 20 O GLN A 981 8.435 42.131 -7.560 1.00100.01 O ATOM 21 CB GLN A 981 11.406 41.877 -8.584 1.00114.20 C ATOM 22 H GLN A 981 12.199 44.321 -8.453 1.00 0.00 H ATOM 23 N GLU A 982 9.660 43.502 -6.256 1.00 90.96 N ATOM 24 CA GLU A 982 8.827 43.357 -5.054 1.00 79.71 C ATOM 25 C GLU A 982 7.714 44.400 -4.908 1.00 69.14 C ATOM 26 O GLU A 982 6.598 44.077 -4.471 1.00 51.88 O ATOM 27 CB GLU A 982 9.711 43.386 -3.815 1.00 80.34 C ATOM 28 CG GLU A 982 10.460 42.079 -3.595 1.00101.79 C ATOM 29 CD GLU A 982 11.223 42.045 -2.276 1.00 97.81 C ATOM 30 OE1 GLU A 982 11.192 43.050 -1.533 1.00101.80 O ATOM 31 OE2 GLU A 982 11.850 41.010 -1.973 1.00 71.54 O ATOM 32 H GLU A 982 10.482 44.138 -6.214 1.00 0.00 H ATOM 33 N GLU A 983 8.010 45.651 -5.240 1.00 60.55 N ATOM 34 CA GLU A 983 6.942 46.649 -5.380 1.00 76.17 C ATOM 35 C GLU A 983 5.838 46.135 -6.344 1.00 61.05 C ATOM 36 O GLU A 983 4.654 46.248 -6.055 1.00 45.86 O ATOM 37 CB GLU A 983 7.504 47.997 -5.864 1.00 88.17 C ATOM 38 CG GLU A 983 8.005 48.902 -4.737 1.00103.01 C ATOM 39 CD GLU A 983 9.288 49.680 -5.070 1.00111.09 C ATOM 40 OE1 GLU A 983 9.668 49.820 -6.263 1.00 80.20 O ATOM 41 OE2 GLU A 983 9.932 50.162 -4.109 1.00117.06 O ATOM 42 H GLU A 983 9.000 45.925 -5.401 1.00 0.00 H ATOM 43 N ASP A 984 6.244 45.557 -7.473 1.00 49.17 N ATOM 44 CA ASP A 984 5.304 44.998 -8.432 1.00 57.93 C ATOM 45 C ASP A 984 4.422 43.893 -7.819 1.00 49.07 C ATOM 46 O ASP A 984 3.221 43.888 -8.027 1.00 39.25 O ATOM 47 CB ASP A 984 6.056 44.491 -9.683 1.00 66.90 C ATOM 48 CG ASP A 984 6.643 45.642 -10.526 1.00 66.40 C ATOM 49 OD1 ASP A 984 6.232 46.816 -10.310 1.00 44.21 O ATOM 50 OD2 ASP A 984 7.523 45.377 -11.386 1.00 68.36 O ATOM 51 H ASP A 984 7.263 45.504 -7.675 1.00 0.00 H ATOM 52 N THR A 985 5.038 42.987 -7.055 1.00 42.01 N ATOM 53 CA THR A 985 4.335 41.908 -6.415 1.00 42.42 C ATOM 54 C THR A 985 3.196 42.401 -5.535 1.00 41.11 C ATOM 55 O THR A 985 2.091 41.868 -5.614 1.00 36.67 O ATOM 56 CB THR A 985 5.308 41.032 -5.618 1.00 44.65 C ATOM 57 OG1 THR A 985 6.190 40.379 -6.548 1.00 53.53 O ATOM 58 CG2 THR A 985 4.577 39.965 -4.799 1.00 34.37 C ATOM 59 HG1 THR A 985 5.658 39.820 -7.168 1.00 0.00 H ATOM 60 H THR A 985 6.066 43.065 -6.918 1.00 0.00 H ATOM 61 N PHE A 986 3.448 43.431 -4.727 1.00 38.53 N ATOM 62 CA PHE A 986 2.387 43.983 -3.901 1.00 39.47 C ATOM 63 C PHE A 986 1.375 44.838 -4.660 1.00 39.85 C ATOM 64 O PHE A 986 0.250 44.978 -4.235 1.00 48.88 O ATOM 65 CB PHE A 986 2.958 44.739 -2.724 1.00 42.31 C ATOM 66 CG PHE A 986 3.739 43.886 -1.766 1.00 44.86 C ATOM 67 CD1 PHE A 986 3.242 42.648 -1.330 1.00 46.39 C ATOM 68 CD2 PHE A 986 4.943 44.355 -1.221 1.00 45.04 C ATOM 69 CE1 PHE A 986 3.942 41.879 -0.395 1.00 49.58 C ATOM 70 CE2 PHE A 986 5.648 43.570 -0.285 1.00 51.49 C ATOM 71 CZ PHE A 986 5.159 42.330 0.108 1.00 47.76 C ATOM 72 H PHE A 986 4.404 43.839 -4.688 1.00 0.00 H ATOM 73 N ARG A 987 1.747 45.433 -5.769 1.00 44.59 N ATOM 74 CA ARG A 987 0.781 46.216 -6.549 1.00 41.58 C ATOM 75 C ARG A 987 -0.192 45.213 -7.194 1.00 39.86 C ATOM 76 O ARG A 987 -1.399 45.426 -7.238 1.00 34.21 O ATOM 77 CB ARG A 987 1.514 47.073 -7.574 1.00 46.17 C ATOM 78 CG ARG A 987 0.758 48.290 -8.117 1.00 55.89 C ATOM 79 CD ARG A 987 1.685 49.301 -8.809 1.00 78.33 C ATOM 80 NE ARG A 987 2.581 49.975 -7.851 1.00 95.46 N ATOM 81 CZ ARG A 987 3.904 49.822 -7.779 1.00 94.53 C ATOM 82 NH1 ARG A 987 4.561 49.030 -8.635 1.00 77.81 N ATOM 83 NH2 ARG A 987 4.578 50.482 -6.839 1.00108.61 N ATOM 84 HE ARG A 987 2.142 50.628 -7.171 1.00 0.00 H ATOM 85 HH12 ARG A 987 5.593 48.926 -8.560 1.00 0.00 H ATOM 86 HH11 ARG A 987 4.039 48.519 -9.375 1.00 0.00 H ATOM 87 HH22 ARG A 987 5.610 50.375 -6.767 1.00 0.00 H ATOM 88 HH21 ARG A 987 4.072 51.104 -6.177 1.00 0.00 H ATOM 89 H ARG A 987 2.730 45.349 -6.097 1.00 0.00 H ATOM 90 N GLU A 988 0.334 44.070 -7.627 1.00 39.39 N ATOM 91 CA GLU A 988 -0.495 43.030 -8.188 1.00 36.61 C ATOM 92 C GLU A 988 -1.487 42.450 -7.145 1.00 39.03 C ATOM 93 O GLU A 988 -2.646 42.178 -7.447 1.00 33.99 O ATOM 94 CB GLU A 988 0.348 41.902 -8.760 1.00 38.53 C ATOM 95 CG GLU A 988 -0.541 40.845 -9.444 1.00 39.25 C ATOM 96 CD GLU A 988 0.214 39.847 -10.286 1.00 41.08 C ATOM 97 OE1 GLU A 988 1.427 40.081 -10.541 1.00 50.54 O ATOM 98 OE2 GLU A 988 -0.395 38.813 -10.678 1.00 37.64 O ATOM 99 H GLU A 988 1.361 43.923 -7.560 1.00 0.00 H ATOM 100 N LEU A 989 -0.998 42.257 -5.932 1.00 33.04 N ATOM 101 CA LEU A 989 -1.838 41.877 -4.844 1.00 33.68 C ATOM 102 C LEU A 989 -2.968 42.875 -4.640 1.00 30.02 C ATOM 103 O LEU A 989 -4.107 42.522 -4.562 1.00 37.23 O ATOM 104 CB LEU A 989 -1.015 41.774 -3.556 1.00 32.70 C ATOM 105 CG LEU A 989 -1.884 41.417 -2.330 1.00 33.42 C ATOM 106 CD1 LEU A 989 -2.479 40.007 -2.454 1.00 34.38 C ATOM 107 CD2 LEU A 989 -1.039 41.565 -1.071 1.00 33.10 C ATOM 108 H LEU A 989 0.021 42.385 -5.768 1.00 0.00 H ATOM 109 N ARG A 990 -2.633 44.131 -4.507 1.00 29.35 N ATOM 110 CA ARG A 990 -3.618 45.151 -4.319 1.00 35.60 C ATOM 111 C ARG A 990 -4.672 45.160 -5.430 1.00 32.68 C ATOM 112 O ARG A 990 -5.881 45.261 -5.162 1.00 26.31 O ATOM 113 CB ARG A 990 -2.910 46.511 -4.184 1.00 37.86 C ATOM 114 CG ARG A 990 -2.101 46.608 -2.897 1.00 35.64 C ATOM 115 CD ARG A 990 -1.790 48.059 -2.541 1.00 36.82 C ATOM 116 NE ARG A 990 -0.937 48.683 -3.548 1.00 36.04 N ATOM 117 CZ ARG A 990 0.383 48.553 -3.609 1.00 39.14 C ATOM 118 NH1 ARG A 990 1.066 47.814 -2.722 1.00 35.64 N ATOM 119 NH2 ARG A 990 1.025 49.166 -4.589 1.00 48.39 N ATOM 120 HE ARG A 990 -1.397 49.273 -4.271 1.00 0.00 H ATOM 121 HH12 ARG A 990 2.100 47.733 -2.799 1.00 0.00 H ATOM 122 HH11 ARG A 990 0.562 47.322 -1.957 1.00 0.00 H ATOM 123 HH22 ARG A 990 2.059 49.084 -4.665 1.00 0.00 H ATOM 124 HH21 ARG A 990 0.496 49.730 -5.284 1.00 0.00 H ATOM 125 H ARG A 990 -1.628 44.395 -4.539 1.00 0.00 H ATOM 126 N ILE A 991 -4.210 44.976 -6.669 1.00 37.44 N ATOM 127 CA ILE A 991 -5.135 44.853 -7.821 1.00 32.16 C ATOM 128 C ILE A 991 -6.075 43.640 -7.676 1.00 33.40 C ATOM 129 O ILE A 991 -7.317 43.795 -7.796 1.00 32.83 O ATOM 130 CB ILE A 991 -4.365 44.793 -9.111 1.00 30.15 C ATOM 131 CG1 ILE A 991 -3.698 46.164 -9.385 1.00 37.83 C ATOM 132 CG2 ILE A 991 -5.306 44.447 -10.261 1.00 40.10 C ATOM 133 CD1 ILE A 991 -2.442 46.124 -10.237 1.00 41.26 C ATOM 134 H ILE A 991 -3.184 44.918 -6.829 1.00 0.00 H ATOM 135 N PHE A 992 -5.489 42.461 -7.387 1.00 27.62 N ATOM 136 CA PHE A 992 -6.256 41.267 -7.091 1.00 32.17 C ATOM 137 C PHE A 992 -7.349 41.460 -5.993 1.00 31.63 C ATOM 138 O PHE A 992 -8.518 41.170 -6.179 1.00 33.66 O ATOM 139 CB PHE A 992 -5.349 40.133 -6.684 1.00 33.25 C ATOM 140 CG PHE A 992 -6.098 38.831 -6.415 1.00 39.49 C ATOM 141 CD1 PHE A 992 -6.856 38.218 -7.413 1.00 34.54 C ATOM 142 CD2 PHE A 992 -6.021 38.198 -5.159 1.00 41.11 C ATOM 143 CE1 PHE A 992 -7.508 37.021 -7.179 1.00 35.09 C ATOM 144 CE2 PHE A 992 -6.671 36.991 -4.938 1.00 33.62 C ATOM 145 CZ PHE A 992 -7.435 36.417 -5.941 1.00 32.22 C ATOM 146 H PHE A 992 -4.451 42.406 -7.376 1.00 0.00 H ATOM 147 N LEU A 993 -6.956 42.027 -4.885 1.00 28.55 N ATOM 148 CA LEU A 993 -7.829 42.189 -3.760 1.00 28.20 C ATOM 149 C LEU A 993 -8.931 43.205 -4.020 1.00 31.67 C ATOM 150 O LEU A 993 -10.060 43.030 -3.593 1.00 30.20 O ATOM 151 CB LEU A 993 -7.003 42.612 -2.544 1.00 31.14 C ATOM 152 CG LEU A 993 -5.966 41.582 -2.092 1.00 30.57 C ATOM 153 CD1 LEU A 993 -5.236 42.083 -0.865 1.00 33.24 C ATOM 154 CD2 LEU A 993 -6.593 40.215 -1.798 1.00 32.85 C ATOM 155 H LEU A 993 -5.977 42.372 -4.816 1.00 0.00 H ATOM 156 N ARG A 994 -8.612 44.266 -4.739 1.00 33.59 N ATOM 157 CA ARG A 994 -9.593 45.284 -5.071 1.00 31.05 C ATOM 158 C ARG A 994 -10.657 44.705 -6.003 1.00 36.21 C ATOM 159 O ARG A 994 -11.835 44.985 -5.869 1.00 45.81 O ATOM 160 CB ARG A 994 -8.865 46.442 -5.721 1.00 37.35 C ATOM 161 CG ARG A 994 -9.327 47.811 -5.291 1.00 49.00 C ATOM 162 CD ARG A 994 -8.201 48.808 -5.014 1.00 43.00 C ATOM 163 NE ARG A 994 -7.139 48.673 -5.955 1.00 37.01 N ATOM 164 CZ ARG A 994 -5.891 49.068 -5.777 1.00 39.27 C ATOM 165 NH1 ARG A 994 -5.002 48.790 -6.717 1.00 42.74 N ATOM 166 NH2 ARG A 994 -5.502 49.683 -4.672 1.00 47.64 N ATOM 167 HE ARG A 994 -7.367 48.223 -6.864 1.00 0.00 H ATOM 168 HH12 ARG A 994 -4.013 49.089 -6.602 1.00 0.00 H ATOM 169 HH11 ARG A 994 -5.293 48.272 -7.571 1.00 0.00 H ATOM 170 HH22 ARG A 994 -4.511 49.981 -4.564 1.00 0.00 H ATOM 171 HH21 ARG A 994 -6.187 49.868 -3.912 1.00 0.00 H ATOM 172 H ARG A 994 -7.634 44.375 -5.076 1.00 0.00 H ATOM 173 N ASN A 995 -10.250 43.861 -6.934 1.00 35.75 N ATOM 174 CA ASN A 995 -11.185 43.198 -7.842 1.00 37.35 C ATOM 175 C ASN A 995 -12.151 42.258 -7.117 1.00 35.04 C ATOM 176 O ASN A 995 -13.365 42.348 -7.324 1.00 34.41 O ATOM 177 CB ASN A 995 -10.382 42.409 -8.852 1.00 36.48 C ATOM 178 CG ASN A 995 -11.233 41.631 -9.793 1.00 37.86 C ATOM 179 OD1 ASN A 995 -11.362 40.430 -9.630 1.00 40.23 O ATOM 180 ND2 ASN A 995 -11.784 42.297 -10.835 1.00 43.85 N ATOM 181 HD22 ASN A 995 -11.644 43.323 -10.929 1.00 0.00 H ATOM 182 HD21 ASN A 995 -12.347 41.782 -11.542 1.00 0.00 H ATOM 183 H ASN A 995 -9.233 43.662 -7.024 1.00 0.00 H ATOM 184 N VAL A 996 -11.608 41.381 -6.273 1.00 27.82 N ATOM 185 CA VAL A 996 -12.408 40.412 -5.528 1.00 28.84 C ATOM 186 C VAL A 996 -13.422 41.190 -4.678 1.00 34.03 C ATOM 187 O VAL A 996 -14.610 40.898 -4.720 1.00 35.95 O ATOM 188 CB VAL A 996 -11.508 39.579 -4.585 1.00 31.84 C ATOM 189 CG1 VAL A 996 -12.319 38.669 -3.677 1.00 36.51 C ATOM 190 CG2 VAL A 996 -10.517 38.755 -5.369 1.00 31.73 C ATOM 191 H VAL A 996 -10.577 41.387 -6.140 1.00 0.00 H ATOM 192 N THR A 997 -12.915 42.158 -3.893 1.00 32.49 N ATOM 193 CA THR A 997 -13.698 42.988 -2.992 1.00 31.44 C ATOM 194 C THR A 997 -14.794 43.722 -3.762 1.00 31.31 C ATOM 195 O THR A 997 -15.902 43.881 -3.288 1.00 32.25 O ATOM 196 CB THR A 997 -12.771 43.973 -2.230 1.00 38.02 C ATOM 197 OG1 THR A 997 -11.649 43.228 -1.637 1.00 31.68 O ATOM 198 CG2 THR A 997 -13.574 44.756 -1.137 1.00 34.62 C ATOM 199 HG1 THR A 997 -11.058 43.856 -1.151 1.00 0.00 H ATOM 200 H THR A 997 -11.889 42.324 -3.934 1.00 0.00 H ATOM 201 N HIS A 998 -14.493 44.161 -4.967 1.00 32.13 N ATOM 202 CA HIS A 998 -15.479 44.883 -5.743 1.00 32.88 C ATOM 203 C HIS A 998 -16.583 43.908 -6.127 1.00 33.77 C ATOM 204 O HIS A 998 -17.779 44.250 -6.146 1.00 30.20 O ATOM 205 CB HIS A 998 -14.839 45.562 -6.957 1.00 32.41 C ATOM 206 CG HIS A 998 -15.824 46.211 -7.883 1.00 47.25 C ATOM 207 ND1 HIS A 998 -16.483 47.378 -7.568 1.00 61.81 N ATOM 208 CD2 HIS A 998 -16.271 45.850 -9.115 1.00 56.23 C ATOM 209 CE1 HIS A 998 -17.287 47.713 -8.564 1.00 68.02 C ATOM 210 NE2 HIS A 998 -17.178 46.800 -9.513 1.00 61.74 N ATOM 211 H HIS A 998 -13.546 43.989 -5.361 1.00 0.00 H ATOM 212 N ARG A 999 -16.181 42.697 -6.480 1.00 35.44 N ATOM 213 CA ARG A 999 -17.144 41.692 -6.921 1.00 36.20 C ATOM 214 C ARG A 999 -18.087 41.241 -5.839 1.00 33.74 C ATOM 215 O ARG A 999 -19.170 40.817 -6.170 1.00 36.77 O ATOM 216 CB ARG A 999 -16.436 40.489 -7.496 1.00 34.12 C ATOM 217 CG ARG A 999 -16.058 40.778 -8.931 1.00 35.94 C ATOM 218 CD ARG A 999 -14.838 39.998 -9.301 1.00 37.44 C ATOM 219 NE ARG A 999 -15.148 38.589 -9.459 1.00 39.44 N ATOM 220 CZ ARG A 999 -14.206 37.662 -9.558 1.00 40.01 C ATOM 221 NH1 ARG A 999 -12.908 38.006 -9.472 1.00 31.49 N ATOM 222 NH2 ARG A 999 -14.561 36.406 -9.700 1.00 34.35 N ATOM 223 HE ARG A 999 -16.145 38.296 -9.496 1.00 0.00 H ATOM 224 HH12 ARG A 999 -12.171 37.277 -9.550 1.00 0.00 H ATOM 225 HH11 ARG A 999 -12.642 39.001 -9.328 1.00 0.00 H ATOM 226 HH22 ARG A 999 -13.835 35.666 -9.779 1.00 0.00 H ATOM 227 HH21 ARG A 999 -15.569 36.151 -9.733 1.00 0.00 H ATOM 228 H ARG A 999 -15.169 42.459 -6.443 1.00 0.00 H ATOM 229 N LEU A1000 -17.652 41.327 -4.583 1.00 30.71 N ATOM 230 CA LEU A1000 -18.472 41.031 -3.436 1.00 31.22 C ATOM 231 C LEU A1000 -19.378 42.205 -3.175 1.00 33.42 C ATOM 232 O LEU A1000 -20.560 42.037 -2.915 1.00 39.70 O ATOM 233 CB LEU A1000 -17.591 40.794 -2.199 1.00 37.71 C ATOM 234 CG LEU A1000 -16.566 39.671 -2.193 1.00 35.72 C ATOM 235 CD1 LEU A1000 -15.748 39.718 -0.876 1.00 32.01 C ATOM 236 CD2 LEU A1000 -17.309 38.359 -2.372 1.00 32.98 C ATOM 237 H LEU A1000 -16.668 41.624 -4.422 1.00 0.00 H ATOM 238 N ALA A1001 -18.813 43.398 -3.228 1.00 33.61 N ATOM 239 CA ALA A1001 -19.527 44.620 -2.917 1.00 35.81 C ATOM 240 C ALA A1001 -20.683 44.904 -3.862 1.00 35.21 C ATOM 241 O ALA A1001 -21.637 45.528 -3.459 1.00 47.60 O ATOM 242 CB ALA A1001 -18.538 45.810 -2.918 1.00 36.33 C ATOM 243 H ALA A1001 -17.813 43.463 -3.505 1.00 0.00 H ATOM 244 N ILE A1002 -20.585 44.492 -5.119 1.00 35.70 N ATOM 245 CA ILE A1002 -21.701 44.684 -6.072 1.00 42.81 C ATOM 246 C ILE A1002 -22.767 43.602 -5.986 1.00 36.25 C ATOM 247 O ILE A1002 -23.758 43.701 -6.650 1.00 45.07 O ATOM 248 CB ILE A1002 -21.261 44.809 -7.567 1.00 44.42 C ATOM 249 CG1 ILE A1002 -20.641 43.487 -8.047 1.00 42.44 C ATOM 250 CG2 ILE A1002 -20.371 46.062 -7.722 1.00 48.17 C ATOM 251 CD1 ILE A1002 -20.085 43.529 -9.458 1.00 58.60 C ATOM 252 H ILE A1002 -19.711 44.027 -5.439 1.00 0.00 H ATOM 253 N ASP A1003 -22.537 42.549 -5.225 1.00 39.84 N ATOM 254 CA ASP A1003 -23.539 41.517 -5.005 1.00 38.47 C ATOM 255 C ASP A1003 -24.563 42.035 -3.996 1.00 42.62 C ATOM 256 O ASP A1003 -24.178 42.383 -2.873 1.00 39.35 O ATOM 257 CB ASP A1003 -22.852 40.274 -4.486 1.00 38.42 C ATOM 258 CG ASP A1003 -23.763 39.063 -4.473 1.00 47.27 C ATOM 259 OD1 ASP A1003 -24.919 39.235 -4.013 1.00 60.14 O ATOM 260 OD2 ASP A1003 -23.335 37.936 -4.875 1.00 39.46 O ATOM 261 H ASP A1003 -21.608 42.453 -4.767 1.00 0.00 H ATOM 262 N LYS A1004 -25.839 42.120 -4.427 1.00 48.74 N ATOM 263 CA LYS A1004 -26.994 42.577 -3.607 1.00 45.19 C ATOM 264 C LYS A1004 -27.154 41.924 -2.228 1.00 36.85 C ATOM 265 O LYS A1004 -27.572 42.567 -1.304 1.00 40.47 O ATOM 266 CB LYS A1004 -28.303 42.333 -4.364 1.00 59.85 C ATOM 267 CG LYS A1004 -28.723 43.455 -5.295 1.00 73.74 C ATOM 268 CD LYS A1004 -29.821 42.987 -6.252 1.00 90.83 C ATOM 269 CE LYS A1004 -30.003 43.938 -7.429 1.00 95.10 C ATOM 270 NZ LYS A1004 -31.108 43.528 -8.348 1.00 89.80 N ATOM 271 HZ1 LYS A1004 -30.904 42.584 -8.733 1.00 0.00 H ATOM 272 HZ2 LYS A1004 -32.004 43.503 -7.821 1.00 0.00 H ATOM 273 HZ3 LYS A1004 -31.182 44.213 -9.127 1.00 0.00 H ATOM 274 H LYS A1004 -26.031 41.844 -5.411 1.00 0.00 H ATOM 275 N ARG A1005 -26.852 40.643 -2.107 1.00 37.98 N ATOM 276 CA ARG A1005 -26.871 39.939 -0.801 1.00 36.50 C ATOM 277 C ARG A1005 -25.959 40.537 0.261 1.00 40.35 C ATOM 278 O ARG A1005 -26.241 40.367 1.448 1.00 38.83 O ATOM 279 CB ARG A1005 -26.434 38.484 -0.931 1.00 35.49 C ATOM 280 CG ARG A1005 -27.153 37.688 -1.983 1.00 38.08 C ATOM 281 CD ARG A1005 -26.518 36.314 -2.116 1.00 44.38 C ATOM 282 NE ARG A1005 -25.315 36.249 -2.934 1.00 33.56 N ATOM 283 CZ ARG A1005 -24.525 35.171 -3.001 1.00 45.97 C ATOM 284 NH1 ARG A1005 -23.406 35.157 -3.755 1.00 52.22 N ATOM 285 NH2 ARG A1005 -24.835 34.095 -2.296 1.00 45.24 N ATOM 286 HE ARG A1005 -25.056 37.085 -3.496 1.00 0.00 H ATOM 287 HH12 ARG A1005 -22.811 34.304 -3.787 1.00 0.00 H ATOM 288 HH11 ARG A1005 -23.138 35.999 -4.304 1.00 0.00 H ATOM 289 HH22 ARG A1005 -24.228 33.252 -2.340 1.00 0.00 H ATOM 290 HH21 ARG A1005 -25.685 34.093 -1.697 1.00 0.00 H ATOM 291 H ARG A1005 -26.591 40.108 -2.960 1.00 0.00 H ATOM 292 N PHE A1006 -24.860 41.193 -0.169 1.00 35.88 N ATOM 293 CA PHE A1006 -23.838 41.681 0.749 1.00 35.88 C ATOM 294 C PHE A1006 -23.876 43.182 0.979 1.00 37.59 C ATOM 295 O PHE A1006 -22.946 43.756 1.566 1.00 36.37 O ATOM 296 CB PHE A1006 -22.473 41.307 0.219 1.00 33.11 C ATOM 297 CG PHE A1006 -22.345 39.861 -0.153 1.00 33.17 C ATOM 298 CD1 PHE A1006 -22.910 38.856 0.624 1.00 32.39 C ATOM 299 CD2 PHE A1006 -21.553 39.500 -1.223 1.00 30.36 C ATOM 300 CE1 PHE A1006 -22.751 37.524 0.260 1.00 30.86 C ATOM 301 CE2 PHE A1006 -21.372 38.202 -1.569 1.00 26.45 C ATOM 302 CZ PHE A1006 -21.976 37.212 -0.834 1.00 30.97 C ATOM 303 H PHE A1006 -24.739 41.356 -1.189 1.00 0.00 H ATOM 304 N ARG A1007 -24.944 43.809 0.499 1.00 37.87 N ATOM 305 CA ARG A1007 -25.197 45.238 0.723 1.00 44.70 C ATOM 306 C ARG A1007 -24.953 45.668 2.180 1.00 42.05 C ATOM 307 O ARG A1007 -24.356 46.725 2.433 1.00 39.41 O ATOM 308 CB ARG A1007 -26.633 45.557 0.315 1.00 46.78 C ATOM 309 CG ARG A1007 -27.069 46.992 0.565 1.00 56.17 C ATOM 310 CD ARG A1007 -26.182 47.989 -0.160 1.00 75.85 C ATOM 311 NE ARG A1007 -26.743 49.338 -0.105 1.00 97.19 N ATOM 312 CZ ARG A1007 -27.779 49.762 -0.832 1.00106.75 C ATOM 313 NH1 ARG A1007 -28.392 48.955 -1.702 1.00 95.44 N ATOM 314 NH2 ARG A1007 -28.208 51.008 -0.690 1.00114.60 N ATOM 315 HE ARG A1007 -26.303 50.017 0.548 1.00 0.00 H ATOM 316 HH12 ARG A1007 -29.198 49.306 -2.258 1.00 0.00 H ATOM 317 HH11 ARG A1007 -28.064 47.976 -1.823 1.00 0.00 H ATOM 318 HH22 ARG A1007 -29.014 51.348 -1.252 1.00 0.00 H ATOM 319 HH21 ARG A1007 -27.738 51.646 -0.017 1.00 0.00 H ATOM 320 H ARG A1007 -25.631 43.264 -0.060 1.00 0.00 H ATOM 321 N VAL A1008 -25.411 44.826 3.113 1.00 34.80 N ATOM 322 CA VAL A1008 -25.328 45.081 4.536 1.00 36.77 C ATOM 323 C VAL A1008 -23.873 45.127 5.035 1.00 40.90 C ATOM 324 O VAL A1008 -23.568 45.808 6.023 1.00 43.89 O ATOM 325 CB VAL A1008 -26.192 44.079 5.340 1.00 36.42 C ATOM 326 CG1 VAL A1008 -25.596 42.694 5.330 1.00 47.13 C ATOM 327 CG2 VAL A1008 -26.363 44.544 6.783 1.00 39.37 C ATOM 328 H VAL A1008 -25.852 43.938 2.799 1.00 0.00 H ATOM 329 N PHE A1009 -22.972 44.488 4.297 1.00 35.66 N ATOM 330 CA PHE A1009 -21.535 44.492 4.608 1.00 33.67 C ATOM 331 C PHE A1009 -20.675 45.528 3.864 1.00 34.52 C ATOM 332 O PHE A1009 -19.466 45.575 4.069 1.00 35.07 O ATOM 333 CB PHE A1009 -20.967 43.098 4.348 1.00 32.32 C ATOM 334 CG PHE A1009 -21.774 41.996 4.956 1.00 31.75 C ATOM 335 CD1 PHE A1009 -21.982 41.945 6.315 1.00 32.98 C ATOM 336 CD2 PHE A1009 -22.329 41.000 4.164 1.00 35.72 C ATOM 337 CE1 PHE A1009 -22.762 40.938 6.891 1.00 36.14 C ATOM 338 CE2 PHE A1009 -23.081 39.961 4.734 1.00 40.56 C ATOM 339 CZ PHE A1009 -23.301 39.937 6.102 1.00 40.07 C ATOM 340 H PHE A1009 -23.298 43.961 3.462 1.00 0.00 H ATOM 341 N THR A1010 -21.274 46.344 3.000 1.00 35.54 N ATOM 342 CA THR A1010 -20.499 47.229 2.106 1.00 40.90 C ATOM 343 C THR A1010 -19.914 48.486 2.774 1.00 47.89 C ATOM 344 O THR A1010 -18.894 49.024 2.312 1.00 49.55 O ATOM 345 CB THR A1010 -21.362 47.769 0.920 1.00 44.10 C ATOM 346 OG1 THR A1010 -22.636 48.250 1.411 1.00 37.46 O ATOM 347 CG2 THR A1010 -21.564 46.692 -0.146 1.00 44.43 C ATOM 348 HG1 THR A1010 -23.119 47.508 1.854 1.00 0.00 H ATOM 349 H THR A1010 -22.313 46.359 2.953 1.00 0.00 H ATOM 350 N LYS A1011 -20.603 48.985 3.794 1.00 42.56 N ATOM 351 CA LYS A1011 -20.230 50.223 4.470 1.00 44.79 C ATOM 352 C LYS A1011 -20.156 49.996 5.968 1.00 40.86 C ATOM 353 O LYS A1011 -20.672 48.997 6.485 1.00 39.05 O ATOM 354 CB LYS A1011 -21.266 51.342 4.172 1.00 42.75 C ATOM 355 CG LYS A1011 -21.152 51.866 2.726 1.00 46.52 C ATOM 356 CD LYS A1011 -22.320 52.848 2.465 1.00 50.00 C ATOM 357 CE LYS A1011 -22.320 53.263 0.941 1.00 50.00 C ATOM 358 NZ LYS A1011 -23.457 54.283 0.716 1.00 50.00 N ATOM 359 HZ1 LYS A1011 -24.367 53.847 0.967 1.00 0.00 H ATOM 360 HZ2 LYS A1011 -23.295 55.119 1.314 1.00 0.00 H ATOM 361 HZ3 LYS A1011 -23.472 54.568 -0.284 1.00 0.00 H ATOM 362 H LYS A1011 -21.444 48.471 4.125 1.00 0.00 H ATOM 363 N PRO A1012 -19.559 50.941 6.693 1.00 41.11 N ATOM 364 CA PRO A1012 -19.730 50.870 8.151 1.00 51.71 C ATOM 365 C PRO A1012 -21.203 51.045 8.613 1.00 46.45 C ATOM 366 O PRO A1012 -22.008 51.795 8.009 1.00 42.10 O ATOM 367 CB PRO A1012 -18.876 52.031 8.670 1.00 47.50 C ATOM 368 CG PRO A1012 -17.955 52.404 7.531 1.00 41.27 C ATOM 369 CD PRO A1012 -18.751 52.105 6.296 1.00 44.93 C ATOM 370 N VAL A1013 -21.542 50.279 9.626 1.00 40.54 N ATOM 371 CA VAL A1013 -22.806 50.378 10.332 1.00 51.54 C ATOM 372 C VAL A1013 -23.278 51.838 10.548 1.00 49.24 C ATOM 373 O VAL A1013 -22.487 52.746 10.805 1.00 44.68 O ATOM 374 CB VAL A1013 -22.672 49.612 11.675 1.00 53.62 C ATOM 375 CG1 VAL A1013 -23.227 50.400 12.841 1.00 63.06 C ATOM 376 CG2 VAL A1013 -23.315 48.243 11.573 1.00 63.10 C ATOM 377 H VAL A1013 -20.862 49.557 9.941 1.00 0.00 H ATOM 378 N ASP A1014 -24.576 52.054 10.389 1.00 53.53 N ATOM 379 CA ASP A1014 -25.195 53.335 10.747 1.00 68.02 C ATOM 380 C ASP A1014 -25.514 53.264 12.257 1.00 56.72 C ATOM 381 O ASP A1014 -26.390 52.484 12.665 1.00 48.55 O ATOM 382 CB ASP A1014 -26.452 53.575 9.893 1.00 76.10 C ATOM 383 CG ASP A1014 -27.266 54.815 10.321 1.00 78.17 C ATOM 384 OD1 ASP A1014 -26.857 55.559 11.244 1.00 70.64 O ATOM 385 OD2 ASP A1014 -28.343 55.040 9.715 1.00 81.89 O ATOM 386 H ASP A1014 -25.172 51.295 10.000 1.00 0.00 H ATOM 387 N PRO A1015 -24.810 54.067 13.089 1.00 51.00 N ATOM 388 CA PRO A1015 -25.052 53.971 14.534 1.00 62.78 C ATOM 389 C PRO A1015 -26.496 54.296 15.001 1.00 67.28 C ATOM 390 O PRO A1015 -26.887 53.855 16.076 1.00 72.67 O ATOM 391 CB PRO A1015 -24.059 54.983 15.141 1.00 69.30 C ATOM 392 CG PRO A1015 -23.176 55.427 14.024 1.00 66.84 C ATOM 393 CD PRO A1015 -23.954 55.221 12.762 1.00 55.74 C ATOM 394 N ASP A1016 -27.273 55.039 14.206 1.00 71.80 N ATOM 395 CA ASP A1016 -28.718 55.217 14.460 1.00 64.76 C ATOM 396 C ASP A1016 -29.523 53.949 14.301 1.00 69.74 C ATOM 397 O ASP A1016 -30.577 53.818 14.909 1.00 72.75 O ATOM 398 CB ASP A1016 -29.320 56.241 13.507 1.00 72.31 C ATOM 399 CG ASP A1016 -28.755 57.641 13.706 1.00 77.67 C ATOM 400 OD1 ASP A1016 -28.003 57.881 14.683 1.00 68.37 O ATOM 401 OD2 ASP A1016 -29.066 58.506 12.861 1.00 65.75 O ATOM 402 H ASP A1016 -26.846 55.507 13.381 1.00 0.00 H ATOM 403 N GLU A1017 -29.060 53.049 13.435 1.00 66.22 N ATOM 404 CA GLU A1017 -29.766 51.797 13.153 1.00 62.13 C ATOM 405 C GLU A1017 -29.422 50.680 14.150 1.00 60.71 C ATOM 406 O GLU A1017 -30.217 49.776 14.394 1.00 54.33 O ATOM 407 CB GLU A1017 -29.411 51.341 11.735 1.00 68.79 C ATOM 408 CG GLU A1017 -30.005 52.205 10.650 1.00 71.26 C ATOM 409 CD GLU A1017 -31.417 51.784 10.331 1.00 80.25 C ATOM 410 OE1 GLU A1017 -32.313 52.058 11.162 1.00 79.09 O ATOM 411 OE2 GLU A1017 -31.622 51.163 9.259 1.00 85.43 O ATOM 412 H GLU A1017 -28.165 53.242 12.941 1.00 0.00 H ATOM 413 N VAL A1018 -28.200 50.731 14.675 1.00 72.77 N ATOM 414 CA VAL A1018 -27.706 49.759 15.647 1.00 64.69 C ATOM 415 C VAL A1018 -26.842 50.503 16.683 1.00 63.10 C ATOM 416 O VAL A1018 -25.610 50.424 16.664 1.00 59.34 O ATOM 417 CB VAL A1018 -26.927 48.624 14.948 1.00 69.42 C ATOM 418 CG1 VAL A1018 -27.869 47.559 14.414 1.00 76.17 C ATOM 419 CG2 VAL A1018 -26.066 49.167 13.815 1.00 65.14 C ATOM 420 H VAL A1018 -27.566 51.500 14.379 1.00 0.00 H ATOM 421 N PRO A1019 -27.495 51.241 17.604 1.00 82.80 N ATOM 422 CA PRO A1019 -26.762 52.112 18.539 1.00 63.70 C ATOM 423 C PRO A1019 -25.768 51.394 19.458 1.00 56.76 C ATOM 424 O PRO A1019 -24.742 51.986 19.799 1.00 58.63 O ATOM 425 CB PRO A1019 -27.876 52.793 19.347 1.00 60.02 C ATOM 426 CG PRO A1019 -29.130 52.568 18.570 1.00 75.47 C ATOM 427 CD PRO A1019 -28.947 51.253 17.880 1.00 87.57 C ATOM 428 N ASP A1020 -26.036 50.138 19.822 1.00 48.97 N ATOM 429 CA ASP A1020 -25.049 49.316 20.604 1.00 53.24 C ATOM 430 C ASP A1020 -23.932 48.533 19.805 1.00 51.29 C ATOM 431 O ASP A1020 -23.149 47.779 20.380 1.00 43.54 O ATOM 432 CB ASP A1020 -25.799 48.345 21.545 1.00 49.09 C ATOM 433 CG ASP A1020 -26.550 47.250 20.810 1.00 59.16 C ATOM 434 OD1 ASP A1020 -27.038 47.489 19.691 1.00 59.11 O ATOM 435 OD2 ASP A1020 -26.683 46.149 21.394 1.00 77.21 O ATOM 436 H ASP A1020 -26.950 49.718 19.558 1.00 0.00 H ATOM 437 N TYR A1021 -23.841 48.712 18.493 1.00 50.55 N ATOM 438 CA TYR A1021 -22.906 47.899 17.708 1.00 58.21 C ATOM 439 C TYR A1021 -21.481 48.067 18.233 1.00 57.15 C ATOM 440 O TYR A1021 -20.805 47.077 18.545 1.00 64.15 O ATOM 441 CB TYR A1021 -23.009 48.217 16.196 1.00 61.09 C ATOM 442 CG TYR A1021 -22.358 47.196 15.286 1.00 60.25 C ATOM 443 CD1 TYR A1021 -23.011 46.005 14.958 1.00 64.03 C ATOM 444 CD2 TYR A1021 -21.076 47.408 14.762 1.00 58.75 C ATOM 445 CE1 TYR A1021 -22.415 45.061 14.137 1.00 57.72 C ATOM 446 CE2 TYR A1021 -20.473 46.472 13.932 1.00 54.44 C ATOM 447 CZ TYR A1021 -21.150 45.302 13.620 1.00 57.48 C ATOM 448 OH TYR A1021 -20.579 44.358 12.790 1.00 52.49 O ATOM 449 HH TYR A1021 -21.202 43.596 12.681 1.00 0.00 H ATOM 450 H TYR A1021 -24.431 49.427 18.023 1.00 0.00 H ATOM 451 N VAL A1022 -21.054 49.317 18.386 1.00 63.23 N ATOM 452 CA VAL A1022 -19.686 49.639 18.859 1.00 74.64 C ATOM 453 C VAL A1022 -19.304 48.959 20.184 1.00 69.16 C ATOM 454 O VAL A1022 -18.141 48.593 20.409 1.00 73.53 O ATOM 455 CB VAL A1022 -19.482 51.168 18.959 1.00 85.47 C ATOM 456 CG1 VAL A1022 -18.272 51.520 19.812 1.00 96.16 C ATOM 457 CG2 VAL A1022 -19.315 51.762 17.571 1.00 92.73 C ATOM 458 H VAL A1022 -21.704 50.098 18.166 1.00 0.00 H ATOM 459 N THR A1023 -20.287 48.778 21.047 1.00 61.82 N ATOM 460 CA THR A1023 -20.076 48.118 22.327 1.00 65.42 C ATOM 461 C THR A1023 -19.973 46.618 22.192 1.00 65.62 C ATOM 462 O THR A1023 -19.194 45.977 22.896 1.00 69.56 O ATOM 463 CB THR A1023 -21.234 48.435 23.282 1.00 67.03 C ATOM 464 OG1 THR A1023 -21.555 49.830 23.155 1.00 56.01 O ATOM 465 CG2 THR A1023 -20.845 48.103 24.717 1.00 86.64 C ATOM 466 HG1 THR A1023 -22.302 50.052 23.766 1.00 0.00 H ATOM 467 H THR A1023 -21.240 49.117 20.805 1.00 0.00 H ATOM 468 N VAL A1024 -20.792 46.050 21.315 1.00 61.90 N ATOM 469 CA VAL A1024 -20.838 44.592 21.179 1.00 60.70 C ATOM 470 C VAL A1024 -19.668 44.092 20.320 1.00 50.11 C ATOM 471 O VAL A1024 -19.065 43.053 20.614 1.00 43.08 O ATOM 472 CB VAL A1024 -22.193 44.124 20.618 1.00 51.88 C ATOM 473 CG1 VAL A1024 -22.290 42.609 20.602 1.00 48.47 C ATOM 474 CG2 VAL A1024 -23.303 44.687 21.468 1.00 51.30 C ATOM 475 H VAL A1024 -21.405 46.644 20.721 1.00 0.00 H ATOM 476 N ILE A1025 -19.328 44.861 19.288 1.00 49.26 N ATOM 477 CA ILE A1025 -18.287 44.446 18.344 1.00 54.56 C ATOM 478 C ILE A1025 -17.003 45.226 18.595 1.00 47.41 C ATOM 479 O ILE A1025 -16.985 46.419 18.393 1.00 56.20 O ATOM 480 CB ILE A1025 -18.804 44.535 16.848 1.00 49.49 C ATOM 481 CG1 ILE A1025 -19.990 43.583 16.614 1.00 45.09 C ATOM 482 CG2 ILE A1025 -17.731 44.166 15.835 1.00 53.23 C ATOM 483 CD1 ILE A1025 -19.765 42.118 16.988 1.00 44.15 C ATOM 484 H ILE A1025 -19.810 45.772 19.149 1.00 0.00 H ATOM 485 N LYS A1026 -15.946 44.527 19.029 1.00 57.05 N ATOM 486 CA LYS A1026 -14.562 45.088 19.158 1.00 66.34 C ATOM 487 C LYS A1026 -14.083 45.863 17.912 1.00 62.20 C ATOM 488 O LYS A1026 -13.900 47.085 17.997 1.00 49.30 O ATOM 489 CB LYS A1026 -13.515 43.990 19.447 1.00 71.02 C ATOM 490 CG LYS A1026 -13.670 43.196 20.731 1.00 75.30 C ATOM 491 CD LYS A1026 -12.369 42.473 21.076 1.00 72.05 C ATOM 492 CE LYS A1026 -11.366 43.406 21.763 1.00 68.76 C ATOM 493 NZ LYS A1026 -10.122 42.689 22.185 1.00 61.15 N ATOM 494 HZ1 LYS A1026 -10.370 41.932 22.854 1.00 0.00 H ATOM 495 HZ2 LYS A1026 -9.660 42.277 21.349 1.00 0.00 H ATOM 496 HZ3 LYS A1026 -9.475 43.361 22.644 1.00 0.00 H ATOM 497 H LYS A1026 -16.095 43.532 19.293 1.00 0.00 H ATOM 498 N GLN A1027 -13.839 45.173 16.781 1.00 49.51 N ATOM 499 CA GLN A1027 -13.568 45.917 15.536 1.00 53.84 C ATOM 500 C GLN A1027 -14.597 45.672 14.466 1.00 50.17 C ATOM 501 O GLN A1027 -14.625 44.618 13.838 1.00 43.63 O ATOM 502 CB GLN A1027 -12.162 45.729 14.940 1.00 48.28 C ATOM 503 CG GLN A1027 -11.675 44.308 14.989 1.00 51.69 C ATOM 504 CD GLN A1027 -10.231 44.127 14.535 1.00 51.00 C ATOM 505 OE1 GLN A1027 -9.620 43.100 14.914 1.00 42.43 O ATOM 506 NE2 GLN A1027 -9.657 45.113 13.766 1.00 38.55 N ATOM 507 HE22 GLN A1027 -10.216 45.943 13.482 1.00 0.00 H ATOM 508 HE21 GLN A1027 -8.664 45.028 13.468 1.00 0.00 H ATOM 509 H GLN A1027 -13.842 44.133 16.785 1.00 0.00 H ATOM 510 N PRO A1028 -15.431 46.677 14.242 1.00 57.83 N ATOM 511 CA PRO A1028 -16.196 46.675 13.029 1.00 68.91 C ATOM 512 C PRO A1028 -15.303 46.428 11.826 1.00 49.71 C ATOM 513 O PRO A1028 -14.156 46.869 11.805 1.00 52.02 O ATOM 514 CB PRO A1028 -16.779 48.106 12.995 1.00 72.72 C ATOM 515 CG PRO A1028 -16.888 48.491 14.426 1.00 61.52 C ATOM 516 CD PRO A1028 -15.681 47.885 15.053 1.00 56.76 C ATOM 517 N MET A1029 -15.832 45.717 10.841 1.00 46.04 N ATOM 518 CA MET A1029 -15.173 45.626 9.521 1.00 43.44 C ATOM 519 C MET A1029 -16.240 45.614 8.454 1.00 38.38 C ATOM 520 O MET A1029 -17.370 45.145 8.685 1.00 38.12 O ATOM 521 CB MET A1029 -14.262 44.397 9.409 1.00 40.23 C ATOM 522 CG MET A1029 -13.384 44.368 8.162 1.00 38.81 C ATOM 523 SD MET A1029 -12.434 45.875 7.835 1.00 35.77 S ATOM 524 CE MET A1029 -11.512 45.983 9.424 1.00 41.12 C ATOM 525 H MET A1029 -16.728 45.213 11.000 1.00 0.00 H ATOM 526 N ASP A1030 -15.888 46.141 7.290 1.00 35.50 N ATOM 527 CA ASP A1030 -16.804 46.174 6.174 1.00 39.79 C ATOM 528 C ASP A1030 -16.028 46.279 4.902 1.00 37.88 C ATOM 529 O ASP A1030 -14.852 46.635 4.940 1.00 41.14 O ATOM 530 CB ASP A1030 -17.737 47.357 6.301 1.00 38.24 C ATOM 531 CG ASP A1030 -17.003 48.653 6.213 1.00 44.01 C ATOM 532 OD1 ASP A1030 -16.396 49.098 7.241 1.00 47.93 O ATOM 533 OD2 ASP A1030 -17.019 49.209 5.099 1.00 39.53 O ATOM 534 H ASP A1030 -14.934 46.539 7.178 1.00 0.00 H ATOM 535 N LEU A1031 -16.694 46.030 3.773 1.00 33.92 N ATOM 536 CA LEU A1031 -15.990 46.002 2.487 1.00 33.93 C ATOM 537 C LEU A1031 -15.434 47.358 2.030 1.00 33.81 C ATOM 538 O LEU A1031 -14.469 47.422 1.260 1.00 42.08 O ATOM 539 CB LEU A1031 -16.887 45.403 1.400 1.00 35.85 C ATOM 540 CG LEU A1031 -17.413 43.975 1.584 1.00 30.74 C ATOM 541 CD1 LEU A1031 -18.433 43.613 0.523 1.00 31.41 C ATOM 542 CD2 LEU A1031 -16.266 43.005 1.547 1.00 31.39 C ATOM 543 H LEU A1031 -17.719 45.855 3.805 1.00 0.00 H ATOM 544 N SER A1032 -16.044 48.444 2.454 1.00 35.15 N ATOM 545 CA SER A1032 -15.485 49.783 2.150 1.00 38.86 C ATOM 546 C SER A1032 -14.156 49.971 2.895 1.00 36.44 C ATOM 547 O SER A1032 -13.146 50.386 2.346 1.00 29.14 O ATOM 548 CB SER A1032 -16.473 50.875 2.542 1.00 35.78 C ATOM 549 OG SER A1032 -16.407 51.915 1.599 1.00 55.56 O ATOM 550 HG SER A1032 -15.489 52.286 1.582 1.00 0.00 H ATOM 551 H SER A1032 -16.922 48.363 3.005 1.00 0.00 H ATOM 552 N SER A1033 -14.170 49.601 4.162 1.00 34.51 N ATOM 553 CA SER A1033 -12.969 49.675 4.947 1.00 39.19 C ATOM 554 C SER A1033 -11.877 48.756 4.385 1.00 40.00 C ATOM 555 O SER A1033 -10.696 49.141 4.402 1.00 41.41 O ATOM 556 CB SER A1033 -13.269 49.367 6.419 1.00 36.96 C ATOM 557 OG SER A1033 -14.056 50.412 6.935 1.00 38.23 O ATOM 558 HG SER A1033 -14.260 50.231 7.887 1.00 0.00 H ATOM 559 H SER A1033 -15.051 49.256 4.592 1.00 0.00 H ATOM 560 N VAL A1034 -12.262 47.557 3.918 1.00 33.46 N ATOM 561 CA VAL A1034 -11.296 46.639 3.327 1.00 36.05 C ATOM 562 C VAL A1034 -10.611 47.272 2.076 1.00 38.03 C ATOM 563 O VAL A1034 -9.411 47.089 1.832 1.00 35.11 O ATOM 564 CB VAL A1034 -11.928 45.279 2.988 1.00 37.47 C ATOM 565 CG1 VAL A1034 -11.044 44.462 2.037 1.00 34.05 C ATOM 566 CG2 VAL A1034 -12.185 44.482 4.274 1.00 32.19 C ATOM 567 H VAL A1034 -13.263 47.280 3.979 1.00 0.00 H ATOM 568 N ILE A1035 -11.351 48.069 1.328 1.00 36.93 N ATOM 569 CA ILE A1035 -10.765 48.755 0.171 1.00 36.77 C ATOM 570 C ILE A1035 -9.778 49.802 0.616 1.00 37.88 C ATOM 571 O ILE A1035 -8.708 49.903 0.079 1.00 44.39 O ATOM 572 CB ILE A1035 -11.828 49.466 -0.656 1.00 36.51 C ATOM 573 CG1 ILE A1035 -12.751 48.443 -1.311 1.00 41.90 C ATOM 574 CG2 ILE A1035 -11.178 50.386 -1.661 1.00 36.11 C ATOM 575 CD1 ILE A1035 -12.158 47.747 -2.507 1.00 52.34 C ATOM 576 H ILE A1035 -12.355 48.211 1.560 1.00 0.00 H ATOM 577 N SER A1036 -10.163 50.592 1.601 1.00 42.23 N ATOM 578 CA SER A1036 -9.289 51.583 2.186 1.00 39.88 C ATOM 579 C SER A1036 -8.007 50.943 2.705 1.00 39.58 C ATOM 580 O SER A1036 -6.909 51.461 2.490 1.00 37.48 O ATOM 581 CB SER A1036 -10.010 52.323 3.310 1.00 39.27 C ATOM 582 OG SER A1036 -11.185 52.963 2.799 1.00 47.40 O ATOM 583 HG SER A1036 -11.646 53.440 3.534 1.00 0.00 H ATOM 584 H SER A1036 -11.131 50.498 1.970 1.00 0.00 H ATOM 585 N LYS A1037 -8.132 49.798 3.353 1.00 34.77 N ATOM 586 CA LYS A1037 -6.936 49.110 3.832 1.00 38.03 C ATOM 587 C LYS A1037 -6.049 48.558 2.733 1.00 43.53 C ATOM 588 O LYS A1037 -4.831 48.461 2.914 1.00 40.90 O ATOM 589 CB LYS A1037 -7.326 47.993 4.774 1.00 35.26 C ATOM 590 CG LYS A1037 -7.836 48.537 6.090 1.00 30.44 C ATOM 591 CD LYS A1037 -8.195 47.435 7.047 1.00 28.31 C ATOM 592 CE LYS A1037 -6.963 46.658 7.427 1.00 24.26 C ATOM 593 NZ LYS A1037 -7.305 45.872 8.652 1.00 24.00 N ATOM 594 HZ1 LYS A1037 -7.580 46.523 9.415 1.00 0.00 H ATOM 595 HZ2 LYS A1037 -8.095 45.230 8.441 1.00 0.00 H ATOM 596 HZ3 LYS A1037 -6.477 45.318 8.949 1.00 0.00 H ATOM 597 H LYS A1037 -9.074 49.390 3.520 1.00 0.00 H ATOM 598 N ILE A1038 -6.659 48.151 1.617 1.00 44.81 N ATOM 599 CA ILE A1038 -5.885 47.632 0.507 1.00 39.56 C ATOM 600 C ILE A1038 -5.038 48.781 -0.001 1.00 38.80 C ATOM 601 O ILE A1038 -3.842 48.616 -0.206 1.00 33.92 O ATOM 602 CB ILE A1038 -6.757 47.101 -0.643 1.00 42.33 C ATOM 603 CG1 ILE A1038 -7.480 45.815 -0.222 1.00 37.07 C ATOM 604 CG2 ILE A1038 -5.872 46.831 -1.896 1.00 44.29 C ATOM 605 CD1 ILE A1038 -8.681 45.502 -1.091 1.00 36.76 C ATOM 606 H ILE A1038 -7.695 48.207 1.544 1.00 0.00 H ATOM 607 N ASP A1039 -5.699 49.923 -0.218 1.00 38.96 N ATOM 608 CA ASP A1039 -5.081 51.164 -0.710 1.00 36.68 C ATOM 609 C ASP A1039 -3.978 51.739 0.213 1.00 35.72 C ATOM 610 O ASP A1039 -3.050 52.388 -0.235 1.00 36.79 O ATOM 611 CB ASP A1039 -6.156 52.224 -0.925 1.00 34.91 C ATOM 612 CG ASP A1039 -7.121 51.883 -2.094 1.00 46.48 C ATOM 613 OD1 ASP A1039 -6.912 50.845 -2.777 1.00 38.04 O ATOM 614 OD2 ASP A1039 -8.122 52.646 -2.295 1.00 44.14 O ATOM 615 H ASP A1039 -6.721 49.935 -0.026 1.00 0.00 H ATOM 616 N LEU A1040 -4.110 51.484 1.502 1.00 42.35 N ATOM 617 CA LEU A1040 -3.149 51.902 2.517 1.00 43.60 C ATOM 618 C LEU A1040 -2.025 50.888 2.672 1.00 40.86 C ATOM 619 O LEU A1040 -1.231 50.983 3.609 1.00 44.20 O ATOM 620 CB LEU A1040 -3.859 52.086 3.883 1.00 41.00 C ATOM 621 CG LEU A1040 -4.820 53.300 3.984 1.00 47.44 C ATOM 622 CD1 LEU A1040 -5.667 53.216 5.253 1.00 38.88 C ATOM 623 CD2 LEU A1040 -4.099 54.649 3.892 1.00 42.47 C ATOM 624 H LEU A1040 -4.949 50.954 1.812 1.00 0.00 H ATOM 625 N HIS A1041 -1.980 49.898 1.780 1.00 38.12 N ATOM 626 CA HIS A1041 -0.919 48.871 1.744 1.00 31.47 C ATOM 627 C HIS A1041 -0.931 48.099 3.036 1.00 34.83 C ATOM 628 O HIS A1041 0.122 47.733 3.531 1.00 31.86 O ATOM 629 CB HIS A1041 0.484 49.495 1.536 1.00 32.52 C ATOM 630 CG HIS A1041 0.644 50.241 0.241 1.00 36.53 C ATOM 631 ND1 HIS A1041 1.874 50.464 -0.330 1.00 38.77 N ATOM 632 CD2 HIS A1041 -0.263 50.804 -0.604 1.00 42.71 C ATOM 633 CE1 HIS A1041 1.722 51.127 -1.470 1.00 41.95 C ATOM 634 NE2 HIS A1041 0.435 51.357 -1.653 1.00 39.84 N ATOM 635 H HIS A1041 -2.736 49.846 1.068 1.00 0.00 H ATOM 636 N LYS A1042 -2.123 47.880 3.600 1.00 38.86 N ATOM 637 CA LYS A1042 -2.253 47.185 4.886 1.00 35.82 C ATOM 638 C LYS A1042 -2.252 45.687 4.754 1.00 35.42 C ATOM 639 O LYS A1042 -2.036 45.014 5.743 1.00 32.91 O ATOM 640 CB LYS A1042 -3.514 47.575 5.604 1.00 37.49 C ATOM 641 CG LYS A1042 -3.645 49.028 5.982 1.00 41.15 C ATOM 642 CD LYS A1042 -2.763 49.380 7.165 1.00 49.29 C ATOM 643 CE LYS A1042 -3.171 50.717 7.768 1.00 53.01 C ATOM 644 NZ LYS A1042 -2.264 51.053 8.900 1.00 59.01 N ATOM 645 HZ1 LYS A1042 -2.329 50.312 9.627 1.00 0.00 H ATOM 646 HZ2 LYS A1042 -1.286 51.115 8.552 1.00 0.00 H ATOM 647 HZ3 LYS A1042 -2.546 51.967 9.309 1.00 0.00 H ATOM 648 H LYS A1042 -2.981 48.211 3.115 1.00 0.00 H ATOM 649 N TYR A1043 -2.535 45.182 3.545 1.00 36.75 N ATOM 650 CA TYR A1043 -2.501 43.751 3.251 1.00 35.32 C ATOM 651 C TYR A1043 -1.285 43.470 2.363 1.00 40.85 C ATOM 652 O TYR A1043 -1.146 44.067 1.274 1.00 42.35 O ATOM 653 CB TYR A1043 -3.748 43.291 2.546 1.00 35.25 C ATOM 654 CG TYR A1043 -5.032 43.605 3.268 1.00 39.75 C ATOM 655 CD1 TYR A1043 -5.275 43.123 4.568 1.00 40.14 C ATOM 656 CD2 TYR A1043 -6.016 44.383 2.655 1.00 37.55 C ATOM 657 CE1 TYR A1043 -6.471 43.419 5.223 1.00 41.22 C ATOM 658 CE2 TYR A1043 -7.203 44.677 3.295 1.00 39.84 C ATOM 659 CZ TYR A1043 -7.437 44.206 4.571 1.00 37.84 C ATOM 660 OH TYR A1043 -8.626 44.548 5.176 1.00 30.82 O ATOM 661 HH TYR A1043 -8.662 44.146 6.080 1.00 0.00 H ATOM 662 H TYR A1043 -2.791 45.839 2.781 1.00 0.00 H ATOM 663 N LEU A1044 -0.395 42.621 2.876 1.00 35.97 N ATOM 664 CA LEU A1044 0.775 42.159 2.166 1.00 44.40 C ATOM 665 C LEU A1044 0.582 40.718 1.659 1.00 44.40 C ATOM 666 O LEU A1044 1.374 40.246 0.844 1.00 42.35 O ATOM 667 CB LEU A1044 2.034 42.260 3.060 1.00 43.73 C ATOM 668 CG LEU A1044 2.468 43.628 3.638 1.00 46.05 C ATOM 669 CD1 LEU A1044 3.869 43.489 4.165 1.00 43.57 C ATOM 670 CD2 LEU A1044 2.395 44.794 2.658 1.00 51.07 C ATOM 671 H LEU A1044 -0.552 42.271 3.843 1.00 0.00 H ATOM 672 N THR A1045 -0.447 40.042 2.166 1.00 36.51 N ATOM 673 CA THR A1045 -0.793 38.698 1.764 1.00 37.88 C ATOM 674 C THR A1045 -2.302 38.524 1.660 1.00 35.71 C ATOM 675 O THR A1045 -3.059 39.286 2.223 1.00 43.00 O ATOM 676 CB THR A1045 -0.288 37.660 2.765 1.00 42.20 C ATOM 677 OG1 THR A1045 -1.053 37.786 3.973 1.00 43.38 O ATOM 678 CG2 THR A1045 1.226 37.852 3.037 1.00 41.41 C ATOM 679 HG1 THR A1045 -0.737 37.119 4.633 1.00 0.00 H ATOM 680 H THR A1045 -1.033 40.506 2.890 1.00 0.00 H ATOM 681 N VAL A1046 -2.726 37.525 0.898 1.00 38.10 N ATOM 682 CA VAL A1046 -4.130 37.234 0.737 1.00 40.39 C ATOM 683 C VAL A1046 -4.648 36.739 2.054 1.00 42.96 C ATOM 684 O VAL A1046 -5.783 37.013 2.438 1.00 43.00 O ATOM 685 CB VAL A1046 -4.399 36.206 -0.352 1.00 40.45 C ATOM 686 CG1 VAL A1046 -5.822 35.677 -0.243 1.00 43.38 C ATOM 687 CG2 VAL A1046 -4.156 36.839 -1.706 1.00 44.28 C ATOM 688 H VAL A1046 -2.027 36.935 0.403 1.00 0.00 H ATOM 689 N LYS A1047 -3.803 36.009 2.744 1.00 44.37 N ATOM 690 CA LYS A1047 -4.141 35.495 4.047 1.00 46.42 C ATOM 691 C LYS A1047 -4.595 36.626 5.007 1.00 43.79 C ATOM 692 O LYS A1047 -5.552 36.463 5.740 1.00 40.47 O ATOM 693 CB LYS A1047 -2.931 34.732 4.615 1.00 50.10 C ATOM 694 CG LYS A1047 -3.297 33.880 5.806 1.00 67.10 C ATOM 695 CD LYS A1047 -2.152 33.034 6.347 1.00 81.25 C ATOM 696 CE LYS A1047 -2.538 32.521 7.739 1.00 95.81 C ATOM 697 NZ LYS A1047 -2.124 31.122 8.059 1.00 95.88 N ATOM 698 HZ1 LYS A1047 -2.561 30.468 7.378 1.00 0.00 H ATOM 699 HZ2 LYS A1047 -1.089 31.046 7.999 1.00 0.00 H ATOM 700 HZ3 LYS A1047 -2.436 30.881 9.022 1.00 0.00 H ATOM 701 H LYS A1047 -2.868 35.797 2.341 1.00 0.00 H ATOM 702 N ASP A1048 -3.890 37.749 5.003 1.00 40.99 N ATOM 703 CA ASP A1048 -4.182 38.861 5.885 1.00 39.27 C ATOM 704 C ASP A1048 -5.505 39.508 5.484 1.00 37.92 C ATOM 705 O ASP A1048 -6.303 39.852 6.315 1.00 41.77 O ATOM 706 CB ASP A1048 -3.001 39.861 5.841 1.00 48.05 C ATOM 707 CG ASP A1048 -1.727 39.304 6.529 1.00 58.99 C ATOM 708 OD1 ASP A1048 -1.861 38.583 7.537 1.00 51.07 O ATOM 709 OD2 ASP A1048 -0.595 39.575 6.072 1.00 65.00 O ATOM 710 H ASP A1048 -3.094 37.835 4.339 1.00 0.00 H ATOM 711 N TYR A1049 -5.726 39.636 4.184 1.00 39.29 N ATOM 712 CA TYR A1049 -6.987 40.054 3.623 1.00 38.47 C ATOM 713 C TYR A1049 -8.150 39.198 4.113 1.00 36.23 C ATOM 714 O TYR A1049 -9.193 39.750 4.524 1.00 33.08 O ATOM 715 CB TYR A1049 -6.899 39.980 2.075 1.00 39.38 C ATOM 716 CG TYR A1049 -8.228 40.187 1.311 1.00 33.12 C ATOM 717 CD1 TYR A1049 -8.717 41.447 1.035 1.00 30.53 C ATOM 718 CD2 TYR A1049 -8.928 39.117 0.808 1.00 34.27 C ATOM 719 CE1 TYR A1049 -9.898 41.641 0.327 1.00 28.70 C ATOM 720 CE2 TYR A1049 -10.107 39.306 0.066 1.00 33.97 C ATOM 721 CZ TYR A1049 -10.608 40.570 -0.150 1.00 29.20 C ATOM 722 OH TYR A1049 -11.829 40.774 -0.848 1.00 25.70 O ATOM 723 HH TYR A1049 -12.019 41.744 -0.901 1.00 0.00 H ATOM 724 H TYR A1049 -4.945 39.423 3.531 1.00 0.00 H ATOM 725 N LEU A1050 -7.989 37.870 4.021 1.00 29.64 N ATOM 726 CA LEU A1050 -9.041 36.944 4.418 1.00 34.86 C ATOM 727 C LEU A1050 -9.395 37.006 5.905 1.00 39.43 C ATOM 728 O LEU A1050 -10.539 36.752 6.278 1.00 40.89 O ATOM 729 CB LEU A1050 -8.731 35.516 3.993 1.00 32.28 C ATOM 730 CG LEU A1050 -8.925 35.323 2.492 1.00 40.29 C ATOM 731 CD1 LEU A1050 -8.402 33.982 2.034 1.00 45.19 C ATOM 732 CD2 LEU A1050 -10.376 35.517 2.067 1.00 42.57 C ATOM 733 H LEU A1050 -7.091 37.492 3.657 1.00 0.00 H ATOM 734 N ARG A1051 -8.432 37.357 6.741 1.00 38.36 N ATOM 735 CA ARG A1051 -8.712 37.664 8.133 1.00 39.20 C ATOM 736 C ARG A1051 -9.779 38.678 8.308 1.00 32.40 C ATOM 737 O ARG A1051 -10.559 38.560 9.231 1.00 35.04 O ATOM 738 CB ARG A1051 -7.460 38.208 8.824 1.00 58.43 C ATOM 739 CG ARG A1051 -6.445 37.139 9.176 1.00 63.71 C ATOM 740 CD ARG A1051 -5.564 37.601 10.328 1.00 83.59 C ATOM 741 NE ARG A1051 -4.659 36.510 10.645 1.00 99.35 N ATOM 742 CZ ARG A1051 -3.573 36.211 9.946 1.00 86.78 C ATOM 743 NH1 ARG A1051 -3.217 36.952 8.903 1.00 82.57 N ATOM 744 NH2 ARG A1051 -2.831 35.171 10.304 1.00 94.34 N ATOM 745 HE ARG A1051 -4.878 35.924 11.476 1.00 0.00 H ATOM 746 HH12 ARG A1051 -2.363 36.710 8.360 1.00 0.00 H ATOM 747 HH11 ARG A1051 -3.792 37.774 8.629 1.00 0.00 H ATOM 748 HH22 ARG A1051 -1.977 34.930 9.761 1.00 0.00 H ATOM 749 HH21 ARG A1051 -3.103 34.597 11.128 1.00 0.00 H ATOM 750 H ARG A1051 -7.453 37.414 6.394 1.00 0.00 H ATOM 751 N ASP A1052 -9.751 39.733 7.498 1.00 31.62 N ATOM 752 CA ASP A1052 -10.752 40.795 7.565 1.00 32.26 C ATOM 753 C ASP A1052 -12.126 40.427 6.961 1.00 39.51 C ATOM 754 O ASP A1052 -13.172 40.961 7.436 1.00 36.26 O ATOM 755 CB ASP A1052 -10.225 42.045 6.905 1.00 36.88 C ATOM 756 CG ASP A1052 -9.358 42.862 7.842 1.00 41.24 C ATOM 757 OD1 ASP A1052 -9.381 42.554 9.055 1.00 39.56 O ATOM 758 OD2 ASP A1052 -8.708 43.836 7.373 1.00 36.29 O ATOM 759 H ASP A1052 -8.990 39.804 6.793 1.00 0.00 H ATOM 760 N ILE A1053 -12.126 39.558 5.929 1.00 35.82 N ATOM 761 CA ILE A1053 -13.366 38.944 5.395 1.00 31.71 C ATOM 762 C ILE A1053 -13.934 38.060 6.508 1.00 31.29 C ATOM 763 O ILE A1053 -15.074 38.154 6.871 1.00 34.09 O ATOM 764 CB ILE A1053 -13.107 38.086 4.095 1.00 36.45 C ATOM 765 CG1 ILE A1053 -12.537 38.918 2.868 1.00 36.96 C ATOM 766 CG2 ILE A1053 -14.363 37.369 3.651 1.00 33.97 C ATOM 767 CD1 ILE A1053 -13.273 40.212 2.539 1.00 34.77 C ATOM 768 H ILE A1053 -11.217 39.308 5.489 1.00 0.00 H ATOM 769 N ASP A1054 -13.108 37.210 7.090 1.00 37.55 N ATOM 770 CA ASP A1054 -13.535 36.378 8.203 1.00 39.39 C ATOM 771 C ASP A1054 -14.080 37.246 9.382 1.00 37.16 C ATOM 772 O ASP A1054 -15.073 36.874 10.018 1.00 31.32 O ATOM 773 CB ASP A1054 -12.374 35.499 8.668 1.00 38.70 C ATOM 774 CG ASP A1054 -12.119 34.319 7.747 1.00 38.82 C ATOM 775 OD1 ASP A1054 -13.040 33.857 7.064 1.00 55.85 O ATOM 776 OD2 ASP A1054 -11.007 33.792 7.730 1.00 39.83 O ATOM 777 H ASP A1054 -12.130 37.134 6.744 1.00 0.00 H ATOM 778 N LEU A1055 -13.453 38.404 9.617 1.00 32.47 N ATOM 779 CA LEU A1055 -13.922 39.391 10.606 1.00 32.89 C ATOM 780 C LEU A1055 -15.314 39.965 10.302 1.00 38.12 C ATOM 781 O LEU A1055 -16.181 40.042 11.156 1.00 38.15 O ATOM 782 CB LEU A1055 -12.923 40.539 10.687 1.00 36.36 C ATOM 783 CG LEU A1055 -13.101 41.536 11.850 1.00 43.77 C ATOM 784 CD1 LEU A1055 -13.031 40.894 13.232 1.00 38.96 C ATOM 785 CD2 LEU A1055 -12.045 42.609 11.746 1.00 43.18 C ATOM 786 H LEU A1055 -12.592 38.619 9.075 1.00 0.00 H ATOM 787 N ILE A1056 -15.535 40.360 9.061 1.00 42.17 N ATOM 788 CA ILE A1056 -16.858 40.793 8.617 1.00 35.95 C ATOM 789 C ILE A1056 -17.911 39.729 8.919 1.00 35.52 C ATOM 790 O ILE A1056 -19.060 40.022 9.364 1.00 33.68 O ATOM 791 CB ILE A1056 -16.851 41.089 7.104 1.00 37.50 C ATOM 792 CG1 ILE A1056 -15.961 42.318 6.791 1.00 37.65 C ATOM 793 CG2 ILE A1056 -18.277 41.360 6.597 1.00 38.72 C ATOM 794 CD1 ILE A1056 -15.843 42.665 5.295 1.00 35.02 C ATOM 795 H ILE A1056 -14.747 40.363 8.382 1.00 0.00 H ATOM 796 N CYS A1057 -17.542 38.486 8.658 1.00 36.57 N ATOM 797 CA CYS A1057 -18.482 37.390 8.849 1.00 38.20 C ATOM 798 C CYS A1057 -18.685 37.098 10.354 1.00 40.18 C ATOM 799 O CYS A1057 -19.814 37.052 10.808 1.00 44.30 O ATOM 800 CB CYS A1057 -18.004 36.185 8.097 1.00 30.42 C ATOM 801 SG CYS A1057 -18.991 34.701 8.303 1.00 39.37 S ATOM 802 H CYS A1057 -16.579 38.291 8.316 1.00 0.00 H ATOM 803 N SER A1058 -17.599 36.960 11.118 1.00 39.30 N ATOM 804 CA SER A1058 -17.696 36.535 12.527 1.00 39.83 C ATOM 805 C SER A1058 -18.427 37.573 13.311 1.00 35.80 C ATOM 806 O SER A1058 -19.197 37.196 14.191 1.00 39.65 O ATOM 807 CB SER A1058 -16.314 36.198 13.190 1.00 40.92 C ATOM 808 OG SER A1058 -15.392 37.284 13.156 1.00 47.60 O ATOM 809 HG SER A1058 -15.776 38.056 13.642 1.00 0.00 H ATOM 810 H SER A1058 -16.663 37.157 10.710 1.00 0.00 H ATOM 811 N ASN A1059 -18.171 38.855 13.001 1.00 28.93 N ATOM 812 CA ASN A1059 -18.874 39.960 13.606 1.00 34.50 C ATOM 813 C ASN A1059 -20.390 39.793 13.462 1.00 43.11 C ATOM 814 O ASN A1059 -21.168 39.976 14.425 1.00 40.66 O ATOM 815 CB ASN A1059 -18.466 41.289 12.924 1.00 42.69 C ATOM 816 CG ASN A1059 -17.132 41.816 13.432 1.00 40.00 C ATOM 817 OD1 ASN A1059 -16.549 41.247 14.356 1.00 40.81 O ATOM 818 ND2 ASN A1059 -16.645 42.869 12.830 1.00 31.58 N ATOM 819 HD22 ASN A1059 -17.174 43.316 12.054 1.00 0.00 H ATOM 820 HD21 ASN A1059 -15.728 43.260 13.127 1.00 0.00 H ATOM 821 H ASN A1059 -17.435 39.059 12.295 1.00 0.00 H ATOM 822 N ALA A1060 -20.809 39.473 12.236 1.00 48.78 N ATOM 823 CA ALA A1060 -22.238 39.296 11.937 1.00 44.43 C ATOM 824 C ALA A1060 -22.808 38.135 12.738 1.00 39.53 C ATOM 825 O ALA A1060 -23.942 38.241 13.257 1.00 37.72 O ATOM 826 CB ALA A1060 -22.490 39.098 10.447 1.00 40.85 C ATOM 827 H ALA A1060 -20.110 39.346 11.476 1.00 0.00 H ATOM 828 N LEU A1061 -22.041 37.056 12.860 1.00 35.25 N ATOM 829 CA LEU A1061 -22.527 35.871 13.599 1.00 39.84 C ATOM 830 C LEU A1061 -22.620 36.201 15.074 1.00 50.71 C ATOM 831 O LEU A1061 -23.463 35.649 15.786 1.00 46.10 O ATOM 832 CB LEU A1061 -21.667 34.623 13.390 1.00 34.62 C ATOM 833 CG LEU A1061 -21.499 34.072 11.950 1.00 45.17 C ATOM 834 CD1 LEU A1061 -20.906 32.655 11.879 1.00 49.35 C ATOM 835 CD2 LEU A1061 -22.805 34.065 11.205 1.00 43.19 C ATOM 836 H LEU A1061 -21.093 37.045 12.433 1.00 0.00 H ATOM 837 N GLU A1062 -21.746 37.105 15.524 1.00 54.42 N ATOM 838 CA GLU A1062 -21.712 37.505 16.912 1.00 52.28 C ATOM 839 C GLU A1062 -22.883 38.427 17.193 1.00 56.63 C ATOM 840 O GLU A1062 -23.644 38.185 18.123 1.00 52.59 O ATOM 841 CB GLU A1062 -20.381 38.185 17.243 1.00 63.04 C ATOM 842 CG GLU A1062 -20.059 38.246 18.743 1.00 85.47 C ATOM 843 CD GLU A1062 -18.902 39.189 19.120 1.00 92.68 C ATOM 844 OE1 GLU A1062 -17.988 39.435 18.288 1.00 81.40 O ATOM 845 OE2 GLU A1062 -18.901 39.677 20.277 1.00 71.38 O ATOM 846 H GLU A1062 -21.072 37.533 14.857 1.00 0.00 H ATOM 847 N TYR A1063 -23.045 39.469 16.370 1.00 51.41 N ATOM 848 CA TYR A1063 -24.005 40.538 16.662 1.00 48.19 C ATOM 849 C TYR A1063 -25.469 40.212 16.344 1.00 52.72 C ATOM 850 O TYR A1063 -26.377 40.906 16.801 1.00 59.74 O ATOM 851 CB TYR A1063 -23.621 41.811 15.936 1.00 43.47 C ATOM 852 CG TYR A1063 -24.532 42.987 16.261 1.00 51.56 C ATOM 853 CD1 TYR A1063 -24.383 43.713 17.449 1.00 42.29 C ATOM 854 CD2 TYR A1063 -25.538 43.378 15.379 1.00 54.48 C ATOM 855 CE1 TYR A1063 -25.184 44.811 17.717 1.00 45.51 C ATOM 856 CE2 TYR A1063 -26.360 44.468 15.651 1.00 49.91 C ATOM 857 CZ TYR A1063 -26.190 45.177 16.818 1.00 53.29 C ATOM 858 OH TYR A1063 -27.026 46.260 17.077 1.00 57.81 O ATOM 859 HH TYR A1063 -26.781 46.664 17.947 1.00 0.00 H ATOM 860 H TYR A1063 -22.476 39.522 15.501 1.00 0.00 H ATOM 861 N ASN A1064 -25.691 39.174 15.547 1.00 57.31 N ATOM 862 CA ASN A1064 -27.039 38.749 15.171 1.00 48.13 C ATOM 863 C ASN A1064 -27.113 37.265 15.349 1.00 48.20 C ATOM 864 O ASN A1064 -27.158 36.554 14.370 1.00 46.42 O ATOM 865 CB ASN A1064 -27.364 39.077 13.699 1.00 42.59 C ATOM 866 CG ASN A1064 -26.830 40.421 13.256 1.00 45.18 C ATOM 867 OD1 ASN A1064 -27.556 41.433 13.252 1.00 33.96 O ATOM 868 ND2 ASN A1064 -25.539 40.441 12.831 1.00 49.94 N ATOM 869 HD22 ASN A1064 -24.971 39.570 12.853 1.00 0.00 H ATOM 870 HD21 ASN A1064 -25.119 41.327 12.484 1.00 0.00 H ATOM 871 H ASN A1064 -24.877 38.644 15.176 1.00 0.00 H ATOM 872 N PRO A1065 -27.152 36.786 16.605 1.00 58.15 N ATOM 873 CA PRO A1065 -27.142 35.334 16.850 1.00 58.23 C ATOM 874 C PRO A1065 -28.509 34.610 16.839 1.00 58.15 C ATOM 875 O PRO A1065 -28.539 33.362 16.872 1.00 58.78 O ATOM 876 CB PRO A1065 -26.518 35.248 18.248 1.00 56.37 C ATOM 877 CG PRO A1065 -26.989 36.483 18.926 1.00 53.37 C ATOM 878 CD PRO A1065 -27.031 37.551 17.858 1.00 51.43 C ATOM 879 N ASP A1066 -29.616 35.348 16.787 1.00 65.21 N ATOM 880 CA ASP A1066 -30.907 34.764 17.261 1.00 81.94 C ATOM 881 C ASP A1066 -31.532 33.845 16.262 1.00 75.11 C ATOM 882 O ASP A1066 -31.050 33.715 15.141 1.00103.23 O ATOM 883 CB ASP A1066 -31.911 35.846 17.707 1.00 83.45 C ATOM 884 CG ASP A1066 -31.621 36.373 19.111 1.00 90.95 C ATOM 885 OD1 ASP A1066 -31.369 35.546 20.041 1.00 71.74 O ATOM 886 OD2 ASP A1066 -31.640 37.623 19.262 1.00 90.65 O ATOM 887 H ASP A1066 -29.582 36.321 16.420 1.00 0.00 H ATOM 888 N ARG A1067 -32.597 33.178 16.684 1.00 80.29 N ATOM 889 CA ARG A1067 -33.385 32.348 15.777 1.00 74.86 C ATOM 890 C ARG A1067 -34.229 33.187 14.803 1.00 63.34 C ATOM 891 O ARG A1067 -34.633 32.668 13.756 1.00 59.07 O ATOM 892 CB ARG A1067 -34.281 31.382 16.575 1.00 77.57 C ATOM 893 CG ARG A1067 -35.585 31.991 17.111 1.00 75.13 C ATOM 894 CD ARG A1067 -36.842 31.346 16.531 1.00 66.00 C ATOM 895 NE ARG A1067 -37.532 32.045 15.421 1.00 71.59 N ATOM 896 CZ ARG A1067 -37.945 31.471 14.266 1.00 75.42 C ATOM 897 NH1 ARG A1067 -38.586 32.211 13.372 1.00 62.43 N ATOM 898 NH2 ARG A1067 -37.734 30.166 13.974 1.00 61.71 N ATOM 899 HE ARG A1067 -37.714 33.062 15.539 1.00 0.00 H ATOM 900 HH12 ARG A1067 -38.910 31.785 12.480 1.00 0.00 H ATOM 901 HH11 ARG A1067 -38.765 33.218 13.563 1.00 0.00 H ATOM 902 HH22 ARG A1067 -38.072 29.774 13.072 1.00 0.00 H ATOM 903 HH21 ARG A1067 -37.234 29.556 14.652 1.00 0.00 H ATOM 904 H ARG A1067 -32.878 33.247 17.683 1.00 0.00 H ATOM 905 N ASP A1068 -34.519 34.451 15.147 1.00 62.68 N ATOM 906 CA ASP A1068 -35.476 35.260 14.363 1.00 62.75 C ATOM 907 C ASP A1068 -35.003 35.364 12.896 1.00 63.58 C ATOM 908 O ASP A1068 -33.809 35.359 12.623 1.00 56.51 O ATOM 909 CB ASP A1068 -35.654 36.637 14.990 1.00 64.79 C ATOM 910 CG ASP A1068 -34.434 37.503 14.800 1.00 79.78 C ATOM 911 OD1 ASP A1068 -33.408 37.174 15.426 1.00 76.86 O ATOM 912 OD2 ASP A1068 -34.478 38.469 13.995 1.00 81.26 O ATOM 913 H ASP A1068 -34.061 34.870 15.982 1.00 0.00 H ATOM 914 N PRO A1069 -35.935 35.432 11.938 1.00 62.62 N ATOM 915 CA PRO A1069 -35.516 35.361 10.527 1.00 51.19 C ATOM 916 C PRO A1069 -34.583 36.495 10.036 1.00 41.64 C ATOM 917 O PRO A1069 -33.800 36.314 9.121 1.00 39.28 O ATOM 918 CB PRO A1069 -36.852 35.390 9.765 1.00 51.77 C ATOM 919 CG PRO A1069 -37.879 34.990 10.780 1.00 61.59 C ATOM 920 CD PRO A1069 -37.395 35.572 12.065 1.00 56.16 C ATOM 921 N GLY A1070 -34.689 37.676 10.597 1.00 40.46 N ATOM 922 CA GLY A1070 -33.765 38.732 10.264 1.00 35.37 C ATOM 923 C GLY A1070 -32.318 38.346 10.563 1.00 34.84 C ATOM 924 O GLY A1070 -31.457 38.653 9.805 1.00 37.21 O ATOM 925 H GLY A1070 -35.446 37.852 11.288 1.00 0.00 H ATOM 926 N ASP A1071 -32.070 37.701 11.693 1.00 38.98 N ATOM 927 CA ASP A1071 -30.740 37.277 12.085 1.00 42.00 C ATOM 928 C ASP A1071 -30.260 36.116 11.244 1.00 40.09 C ATOM 929 O ASP A1071 -29.088 36.066 10.838 1.00 47.68 O ATOM 930 CB ASP A1071 -30.696 36.871 13.568 1.00 50.73 C ATOM 931 CG ASP A1071 -30.723 38.067 14.524 1.00 47.00 C ATOM 932 OD1 ASP A1071 -30.874 39.225 14.083 1.00 52.14 O ATOM 933 OD2 ASP A1071 -30.576 37.834 15.736 1.00 52.84 O ATOM 934 H ASP A1071 -32.866 37.489 12.328 1.00 0.00 H ATOM 935 N ARG A1072 -31.148 35.186 10.969 1.00 39.50 N ATOM 936 CA ARG A1072 -30.804 34.017 10.165 1.00 43.74 C ATOM 937 C ARG A1072 -30.410 34.412 8.756 1.00 41.83 C ATOM 938 O ARG A1072 -29.513 33.807 8.156 1.00 42.37 O ATOM 939 CB ARG A1072 -31.987 33.075 10.056 1.00 50.93 C ATOM 940 CG ARG A1072 -32.592 32.646 11.371 1.00 50.30 C ATOM 941 CD ARG A1072 -32.255 31.237 11.764 1.00 59.66 C ATOM 942 NE ARG A1072 -33.319 30.690 12.603 1.00 76.89 N ATOM 943 CZ ARG A1072 -33.574 29.396 12.762 1.00 85.17 C ATOM 944 NH1 ARG A1072 -32.833 28.474 12.146 1.00104.25 N ATOM 945 NH2 ARG A1072 -34.580 29.022 13.540 1.00 79.29 N ATOM 946 HE ARG A1072 -33.923 31.365 13.115 1.00 0.00 H ATOM 947 HH12 ARG A1072 -33.043 27.464 12.279 1.00 0.00 H ATOM 948 HH11 ARG A1072 -32.045 28.765 11.533 1.00 0.00 H ATOM 949 HH22 ARG A1072 -34.788 28.012 13.671 1.00 0.00 H ATOM 950 HH21 ARG A1072 -35.161 29.739 14.019 1.00 0.00 H ATOM 951 H ARG A1072 -32.117 35.285 11.332 1.00 0.00 H ATOM 952 N LEU A1073 -31.091 35.426 8.246 1.00 39.20 N ATOM 953 CA LEU A1073 -30.878 35.928 6.899 1.00 42.38 C ATOM 954 C LEU A1073 -29.488 36.573 6.767 1.00 45.71 C ATOM 955 O LEU A1073 -28.768 36.319 5.792 1.00 46.12 O ATOM 956 CB LEU A1073 -31.969 36.955 6.500 1.00 29.82 C ATOM 957 CG LEU A1073 -31.759 37.613 5.128 1.00 29.21 C ATOM 958 CD1 LEU A1073 -31.681 36.587 4.001 1.00 32.17 C ATOM 959 CD2 LEU A1073 -32.864 38.591 4.831 1.00 31.26 C ATOM 960 H LEU A1073 -31.813 35.885 8.837 1.00 0.00 H ATOM 961 N ILE A1074 -29.153 37.441 7.713 1.00 38.28 N ATOM 962 CA ILE A1074 -27.837 38.101 7.705 1.00 44.95 C ATOM 963 C ILE A1074 -26.672 37.122 8.038 1.00 39.41 C ATOM 964 O ILE A1074 -25.587 37.262 7.513 1.00 38.05 O ATOM 965 CB ILE A1074 -27.829 39.331 8.628 1.00 43.44 C ATOM 966 CG1 ILE A1074 -26.526 40.098 8.476 1.00 49.04 C ATOM 967 CG2 ILE A1074 -28.024 38.928 10.089 1.00 48.09 C ATOM 968 CD1 ILE A1074 -26.587 41.516 9.048 1.00 44.20 C ATOM 969 H ILE A1074 -29.830 37.658 8.472 1.00 0.00 H ATOM 970 N ARG A1075 -26.911 36.136 8.894 1.00 38.09 N ATOM 971 CA ARG A1075 -25.880 35.118 9.201 1.00 39.92 C ATOM 972 C ARG A1075 -25.584 34.248 8.019 1.00 39.91 C ATOM 973 O ARG A1075 -24.447 33.813 7.853 1.00 38.13 O ATOM 974 CB ARG A1075 -26.278 34.198 10.387 1.00 42.32 C ATOM 975 CG ARG A1075 -26.267 34.893 11.745 1.00 44.40 C ATOM 976 CD ARG A1075 -26.168 33.942 12.939 1.00 47.33 C ATOM 977 NE ARG A1075 -26.827 32.673 12.770 1.00 53.12 N ATOM 978 CZ ARG A1075 -28.041 32.366 13.201 1.00 70.03 C ATOM 979 NH1 ARG A1075 -28.763 33.254 13.867 1.00 76.96 N ATOM 980 NH2 ARG A1075 -28.537 31.149 12.960 1.00 78.49 N ATOM 981 HE ARG A1075 -26.303 31.931 12.264 1.00 0.00 H ATOM 982 HH12 ARG A1075 -29.715 33.004 14.202 1.00 0.00 H ATOM 983 HH11 ARG A1075 -28.378 34.201 14.055 1.00 0.00 H ATOM 984 HH22 ARG A1075 -29.490 30.900 13.295 1.00 0.00 H ATOM 985 HH21 ARG A1075 -27.971 30.451 12.437 1.00 0.00 H ATOM 986 H ARG A1075 -27.840 36.077 9.358 1.00 0.00 H ATOM 987 N HIS A1076 -26.628 33.968 7.233 1.00 41.78 N ATOM 988 CA HIS A1076 -26.514 33.239 5.989 1.00 35.97 C ATOM 989 C HIS A1076 -25.684 34.017 4.979 1.00 35.39 C ATOM 990 O HIS A1076 -24.793 33.456 4.359 1.00 38.63 O ATOM 991 CB HIS A1076 -27.896 32.978 5.387 1.00 35.86 C ATOM 992 CG HIS A1076 -27.862 32.043 4.221 1.00 40.39 C ATOM 993 ND1 HIS A1076 -27.842 32.484 2.903 1.00 42.30 N ATOM 994 CD2 HIS A1076 -27.800 30.690 4.172 1.00 37.03 C ATOM 995 CE1 HIS A1076 -27.809 31.432 2.100 1.00 40.38 C ATOM 996 NE2 HIS A1076 -27.772 30.333 2.844 1.00 37.83 N ATOM 997 H HIS A1076 -27.571 34.291 7.531 1.00 0.00 H ATOM 998 N ARG A1077 -26.000 35.294 4.833 1.00 30.43 N ATOM 999 CA ARG A1077 -25.312 36.196 3.943 1.00 33.78 C ATOM 1000 C ARG A1077 -23.873 36.446 4.353 1.00 38.43 C ATOM 1001 O ARG A1077 -22.996 36.550 3.490 1.00 39.29 O ATOM 1002 CB ARG A1077 -26.032 37.528 3.943 1.00 37.51 C ATOM 1003 CG ARG A1077 -27.306 37.466 3.160 1.00 36.90 C ATOM 1004 CD ARG A1077 -28.098 38.749 3.293 1.00 38.73 C ATOM 1005 NE ARG A1077 -29.204 38.739 2.329 1.00 38.95 N ATOM 1006 CZ ARG A1077 -30.146 39.658 2.254 1.00 41.90 C ATOM 1007 NH1 ARG A1077 -30.120 40.697 3.076 1.00 49.29 N ATOM 1008 NH2 ARG A1077 -31.111 39.535 1.344 1.00 43.10 N ATOM 1009 HE ARG A1077 -29.248 37.948 1.655 1.00 0.00 H ATOM 1010 HH12 ARG A1077 -30.862 41.424 3.019 1.00 0.00 H ATOM 1011 HH11 ARG A1077 -29.358 40.786 3.778 1.00 0.00 H ATOM 1012 HH22 ARG A1077 -31.858 40.255 1.278 1.00 0.00 H ATOM 1013 HH21 ARG A1077 -31.117 38.719 0.700 1.00 0.00 H ATOM 1014 H ARG A1077 -26.792 35.669 5.394 1.00 0.00 H ATOM 1015 N ALA A1078 -23.650 36.557 5.662 1.00 36.43 N ATOM 1016 CA ALA A1078 -22.296 36.633 6.216 1.00 40.08 C ATOM 1017 C ALA A1078 -21.508 35.420 5.764 1.00 36.00 C ATOM 1018 O ALA A1078 -20.394 35.557 5.291 1.00 36.45 O ATOM 1019 CB ALA A1078 -22.316 36.718 7.733 1.00 36.34 C ATOM 1020 H ALA A1078 -24.462 36.591 6.310 1.00 0.00 H ATOM 1021 N CYS A1079 -22.102 34.235 5.902 1.00 37.73 N ATOM 1022 CA CYS A1079 -21.404 32.983 5.561 1.00 35.07 C ATOM 1023 C CYS A1079 -21.210 32.870 4.067 1.00 39.48 C ATOM 1024 O CYS A1079 -20.237 32.289 3.597 1.00 51.14 O ATOM 1025 CB CYS A1079 -22.157 31.757 6.103 1.00 34.64 C ATOM 1026 SG CYS A1079 -21.972 31.520 7.919 1.00 42.03 S ATOM 1027 H CYS A1079 -23.078 34.193 6.258 1.00 0.00 H ATOM 1028 N ALA A1080 -22.137 33.435 3.315 1.00 36.88 N ATOM 1029 CA ALA A1080 -22.099 33.385 1.889 1.00 34.16 C ATOM 1030 C ALA A1080 -20.972 34.303 1.340 1.00 38.41 C ATOM 1031 O ALA A1080 -20.268 33.972 0.347 1.00 31.68 O ATOM 1032 CB ALA A1080 -23.470 33.766 1.325 1.00 27.49 C ATOM 1033 H ALA A1080 -22.923 33.934 3.778 1.00 0.00 H ATOM 1034 N LEU A1081 -20.822 35.461 1.981 1.00 37.90 N ATOM 1035 CA LEU A1081 -19.699 36.377 1.709 1.00 33.00 C ATOM 1036 C LEU A1081 -18.389 35.664 1.935 1.00 37.86 C ATOM 1037 O LEU A1081 -17.424 35.768 1.115 1.00 36.62 O ATOM 1038 CB LEU A1081 -19.730 37.587 2.647 1.00 32.45 C ATOM 1039 CG LEU A1081 -18.669 38.677 2.413 1.00 29.62 C ATOM 1040 CD1 LEU A1081 -19.029 39.569 1.272 1.00 36.17 C ATOM 1041 CD2 LEU A1081 -18.537 39.551 3.626 1.00 38.45 C ATOM 1042 H LEU A1081 -21.523 35.729 2.700 1.00 0.00 H ATOM 1043 N ARG A1082 -18.308 34.988 3.082 1.00 31.43 N ATOM 1044 CA ARG A1082 -17.037 34.367 3.448 1.00 38.04 C ATOM 1045 C ARG A1082 -16.718 33.262 2.423 1.00 38.60 C ATOM 1046 O ARG A1082 -15.652 33.226 1.836 1.00 40.30 O ATOM 1047 CB ARG A1082 -17.099 33.843 4.875 1.00 41.82 C ATOM 1048 CG ARG A1082 -15.784 33.314 5.432 1.00 47.97 C ATOM 1049 CD ARG A1082 -15.988 32.231 6.474 1.00 54.71 C ATOM 1050 NE ARG A1082 -16.976 31.241 6.000 1.00 60.48 N ATOM 1051 CZ ARG A1082 -18.002 30.769 6.707 1.00 59.71 C ATOM 1052 NH1 ARG A1082 -18.204 31.134 7.991 1.00 64.33 N ATOM 1053 NH2 ARG A1082 -18.834 29.914 6.127 1.00 55.87 N ATOM 1054 HE ARG A1082 -16.861 30.881 5.031 1.00 0.00 H ATOM 1055 HH12 ARG A1082 -19.013 30.750 8.520 1.00 0.00 H ATOM 1056 HH11 ARG A1082 -17.550 31.799 8.452 1.00 0.00 H ATOM 1057 HH22 ARG A1082 -19.642 29.532 6.659 1.00 0.00 H ATOM 1058 HH21 ARG A1082 -18.678 29.625 5.140 1.00 0.00 H ATOM 1059 H ARG A1082 -19.136 34.904 3.706 1.00 0.00 H ATOM 1060 N ASP A1083 -17.708 32.413 2.163 1.00 39.91 N ATOM 1061 CA ASP A1083 -17.593 31.298 1.234 1.00 34.58 C ATOM 1062 C ASP A1083 -17.306 31.730 -0.205 1.00 37.42 C ATOM 1063 O ASP A1083 -16.554 31.098 -0.927 1.00 40.63 O ATOM 1064 CB ASP A1083 -18.903 30.537 1.245 1.00 41.27 C ATOM 1065 CG ASP A1083 -19.117 29.685 2.515 1.00 48.03 C ATOM 1066 OD1 ASP A1083 -18.112 29.344 3.205 1.00 45.67 O ATOM 1067 OD2 ASP A1083 -20.310 29.330 2.792 1.00 40.01 O ATOM 1068 H ASP A1083 -18.616 32.553 2.651 1.00 0.00 H ATOM 1069 N THR A1084 -17.931 32.816 -0.626 1.00 32.52 N ATOM 1070 CA THR A1084 -17.694 33.377 -1.931 1.00 29.47 C ATOM 1071 C THR A1084 -16.270 33.886 -2.080 1.00 32.25 C ATOM 1072 O THR A1084 -15.602 33.572 -3.060 1.00 45.24 O ATOM 1073 CB THR A1084 -18.709 34.503 -2.205 1.00 32.12 C ATOM 1074 OG1 THR A1084 -20.017 33.923 -2.287 1.00 28.57 O ATOM 1075 CG2 THR A1084 -18.411 35.246 -3.482 1.00 34.67 C ATOM 1076 HG1 THR A1084 -20.232 33.474 -1.431 1.00 0.00 H ATOM 1077 H THR A1084 -18.615 33.280 0.005 1.00 0.00 H ATOM 1078 N ALA A1085 -15.808 34.683 -1.125 1.00 35.75 N ATOM 1079 CA ALA A1085 -14.427 35.215 -1.119 1.00 32.83 C ATOM 1080 C ALA A1085 -13.409 34.099 -1.255 1.00 31.35 C ATOM 1081 O ALA A1085 -12.502 34.176 -2.072 1.00 33.39 O ATOM 1082 CB ALA A1085 -14.162 35.984 0.160 1.00 30.43 C ATOM 1083 H ALA A1085 -16.445 34.946 -0.346 1.00 0.00 H ATOM 1084 N TYR A1086 -13.557 33.078 -0.432 1.00 32.61 N ATOM 1085 CA TYR A1086 -12.643 31.931 -0.410 1.00 32.94 C ATOM 1086 C TYR A1086 -12.686 31.176 -1.755 1.00 33.37 C ATOM 1087 O TYR A1086 -11.696 30.676 -2.241 1.00 39.96 O ATOM 1088 CB TYR A1086 -13.006 30.993 0.757 1.00 38.08 C ATOM 1089 CG TYR A1086 -12.310 31.329 2.067 1.00 39.85 C ATOM 1090 CD1 TYR A1086 -11.026 30.810 2.357 1.00 46.60 C ATOM 1091 CD2 TYR A1086 -12.922 32.141 3.031 1.00 40.25 C ATOM 1092 CE1 TYR A1086 -10.373 31.119 3.554 1.00 44.78 C ATOM 1093 CE2 TYR A1086 -12.278 32.452 4.235 1.00 38.42 C ATOM 1094 CZ TYR A1086 -11.012 31.939 4.489 1.00 42.42 C ATOM 1095 OH TYR A1086 -10.364 32.253 5.661 1.00 48.37 O ATOM 1096 HH TYR A1086 -10.240 33.234 5.716 1.00 0.00 H ATOM 1097 H TYR A1086 -14.358 33.087 0.231 1.00 0.00 H ATOM 1098 N ALA A1087 -13.848 31.118 -2.367 1.00 33.67 N ATOM 1099 CA ALA A1087 -14.047 30.349 -3.595 1.00 33.66 C ATOM 1100 C ALA A1087 -13.432 31.097 -4.817 1.00 34.70 C ATOM 1101 O ALA A1087 -12.817 30.483 -5.722 1.00 26.71 O ATOM 1102 CB ALA A1087 -15.557 30.147 -3.808 1.00 31.42 C ATOM 1103 H ALA A1087 -14.654 31.637 -1.964 1.00 0.00 H ATOM 1104 N ILE A1088 -13.637 32.418 -4.855 1.00 28.92 N ATOM 1105 CA ILE A1088 -12.987 33.220 -5.857 1.00 29.36 C ATOM 1106 C ILE A1088 -11.479 33.041 -5.714 1.00 33.21 C ATOM 1107 O ILE A1088 -10.779 32.878 -6.700 1.00 32.64 O ATOM 1108 CB ILE A1088 -13.380 34.720 -5.730 1.00 30.68 C ATOM 1109 CG1 ILE A1088 -14.847 34.923 -6.193 1.00 30.32 C ATOM 1110 CG2 ILE A1088 -12.470 35.605 -6.556 1.00 27.69 C ATOM 1111 CD1 ILE A1088 -15.526 36.241 -5.771 1.00 27.09 C ATOM 1112 H ILE A1088 -14.267 32.866 -4.159 1.00 0.00 H ATOM 1113 N ILE A1089 -10.994 33.062 -4.471 1.00 32.93 N ATOM 1114 CA ILE A1089 -9.589 33.010 -4.215 1.00 32.31 C ATOM 1115 C ILE A1089 -9.048 31.650 -4.587 1.00 36.12 C ATOM 1116 O ILE A1089 -7.951 31.554 -5.159 1.00 36.35 O ATOM 1117 CB ILE A1089 -9.279 33.480 -2.763 1.00 38.28 C ATOM 1118 CG1 ILE A1089 -9.329 35.007 -2.752 1.00 34.84 C ATOM 1119 CG2 ILE A1089 -7.891 33.033 -2.260 1.00 38.60 C ATOM 1120 CD1 ILE A1089 -9.424 35.633 -1.377 1.00 48.34 C ATOM 1121 H ILE A1089 -11.654 33.118 -3.669 1.00 0.00 H ATOM 1122 N LYS A1090 -9.811 30.599 -4.298 1.00 37.25 N ATOM 1123 CA LYS A1090 -9.393 29.254 -4.653 1.00 38.61 C ATOM 1124 C LYS A1090 -9.217 29.092 -6.154 1.00 42.43 C ATOM 1125 O LYS A1090 -8.380 28.350 -6.605 1.00 41.00 O ATOM 1126 CB LYS A1090 -10.385 28.214 -4.150 1.00 51.19 C ATOM 1127 CG LYS A1090 -9.788 26.805 -4.053 1.00 59.70 C ATOM 1128 CD LYS A1090 -10.865 25.735 -3.916 1.00 82.94 C ATOM 1129 CE LYS A1090 -10.275 24.322 -3.933 1.00 93.19 C ATOM 1130 NZ LYS A1090 -11.196 23.332 -3.312 1.00101.40 N ATOM 1131 HZ1 LYS A1090 -11.376 23.600 -2.323 1.00 0.00 H ATOM 1132 HZ2 LYS A1090 -12.094 23.318 -3.837 1.00 0.00 H ATOM 1133 HZ3 LYS A1090 -10.760 22.388 -3.343 1.00 0.00 H ATOM 1134 H LYS A1090 -10.719 30.742 -3.811 1.00 0.00 H ATOM 1135 N GLU A1091 -10.044 29.777 -6.925 1.00 45.83 N ATOM 1136 CA GLU A1091 -10.089 29.584 -8.358 1.00 42.06 C ATOM 1137 C GLU A1091 -9.180 30.538 -9.114 1.00 40.57 C ATOM 1138 O GLU A1091 -8.885 30.326 -10.292 1.00 42.50 O ATOM 1139 CB GLU A1091 -11.511 29.789 -8.845 1.00 56.87 C ATOM 1140 CG GLU A1091 -12.262 28.498 -9.085 1.00 75.95 C ATOM 1141 CD GLU A1091 -13.713 28.760 -9.388 1.00 84.52 C ATOM 1142 OE1 GLU A1091 -14.330 29.499 -8.584 1.00 72.79 O ATOM 1143 OE2 GLU A1091 -14.209 28.236 -10.419 1.00 85.50 O ATOM 1144 H GLU A1091 -10.680 30.474 -6.489 1.00 0.00 H ATOM 1145 N GLU A1092 -8.740 31.595 -8.443 1.00 34.76 N ATOM 1146 CA GLU A1092 -8.085 32.721 -9.106 1.00 29.78 C ATOM 1147 C GLU A1092 -6.774 33.154 -8.478 1.00 30.29 C ATOM 1148 O GLU A1092 -5.994 33.822 -9.119 1.00 36.26 O ATOM 1149 CB GLU A1092 -9.054 33.917 -9.186 1.00 30.93 C ATOM 1150 CG GLU A1092 -10.358 33.588 -9.927 1.00 32.81 C ATOM 1151 CD GLU A1092 -11.346 34.729 -9.945 1.00 42.65 C ATOM 1152 OE1 GLU A1092 -10.883 35.939 -9.967 1.00 48.41 O ATOM 1153 OE2 GLU A1092 -12.570 34.411 -9.985 1.00 30.13 O ATOM 1154 H GLU A1092 -8.865 31.623 -7.411 1.00 0.00 H ATOM 1155 N LEU A1093 -6.511 32.779 -7.241 1.00 31.96 N ATOM 1156 CA LEU A1093 -5.212 33.045 -6.660 1.00 35.10 C ATOM 1157 C LEU A1093 -4.202 31.945 -6.992 1.00 42.82 C ATOM 1158 O LEU A1093 -4.427 30.744 -6.682 1.00 45.83 O ATOM 1159 CB LEU A1093 -5.305 33.161 -5.154 1.00 35.64 C ATOM 1160 CG LEU A1093 -3.964 33.449 -4.413 1.00 38.75 C ATOM 1161 CD1 LEU A1093 -3.421 34.835 -4.762 1.00 37.96 C ATOM 1162 CD2 LEU A1093 -4.179 33.334 -2.911 1.00 42.82 C ATOM 1163 H LEU A1093 -7.239 32.291 -6.681 1.00 0.00 H ATOM 1164 N ASP A1094 -3.081 32.343 -7.590 1.00 37.80 N ATOM 1165 CA ASP A1094 -1.971 31.407 -7.755 1.00 43.87 C ATOM 1166 C ASP A1094 -1.254 31.203 -6.403 1.00 35.35 C ATOM 1167 O ASP A1094 -0.802 32.145 -5.797 1.00 38.66 O ATOM 1168 CB ASP A1094 -1.005 31.883 -8.857 1.00 43.37 C ATOM 1169 CG ASP A1094 -0.125 30.766 -9.354 1.00 49.83 C ATOM 1170 OD1 ASP A1094 0.442 30.041 -8.502 1.00 56.26 O ATOM 1171 OD2 ASP A1094 -0.024 30.591 -10.584 1.00 55.31 O ATOM 1172 H ASP A1094 -2.995 33.319 -7.939 1.00 0.00 H ATOM 1173 N GLU A1095 -1.149 29.970 -5.947 1.00 42.46 N ATOM 1174 CA GLU A1095 -0.533 29.661 -4.650 1.00 46.69 C ATOM 1175 C GLU A1095 0.938 30.125 -4.601 1.00 50.44 C ATOM 1176 O GLU A1095 1.464 30.469 -3.538 1.00 39.82 O ATOM 1177 CB GLU A1095 -0.597 28.144 -4.402 1.00 61.80 C ATOM 1178 CG GLU A1095 -2.014 27.565 -4.292 1.00 85.91 C ATOM 1179 CD GLU A1095 -2.069 26.038 -4.398 1.00106.11 C ATOM 1180 OE1 GLU A1095 -1.239 25.451 -5.124 1.00111.73 O ATOM 1181 OE2 GLU A1095 -2.964 25.415 -3.777 1.00106.02 O ATOM 1182 H GLU A1095 -1.516 29.188 -6.527 1.00 0.00 H ATOM 1183 N ASP A1096 1.609 30.062 -5.754 1.00 44.08 N ATOM 1184 CA ASP A1096 2.996 30.489 -5.865 1.00 46.82 C ATOM 1185 C ASP A1096 3.087 31.988 -5.718 1.00 39.23 C ATOM 1186 O ASP A1096 4.114 32.490 -5.260 1.00 38.23 O ATOM 1187 CB ASP A1096 3.636 30.065 -7.223 1.00 51.32 C ATOM 1188 CG ASP A1096 3.911 28.561 -7.313 1.00 44.88 C ATOM 1189 OD1 ASP A1096 4.024 27.942 -6.254 1.00 36.98 O ATOM 1190 OD2 ASP A1096 3.966 27.989 -8.445 1.00 53.90 O ATOM 1191 H ASP A1096 1.125 29.696 -6.599 1.00 0.00 H ATOM 1192 N PHE A1097 2.030 32.695 -6.120 1.00 40.10 N ATOM 1193 CA PHE A1097 1.977 34.158 -5.976 1.00 32.66 C ATOM 1194 C PHE A1097 1.786 34.491 -4.516 1.00 33.86 C ATOM 1195 O PHE A1097 2.428 35.394 -4.009 1.00 36.78 O ATOM 1196 CB PHE A1097 0.858 34.813 -6.824 1.00 31.34 C ATOM 1197 CG PHE A1097 0.715 36.317 -6.570 1.00 29.42 C ATOM 1198 CD1 PHE A1097 1.494 37.223 -7.251 1.00 31.38 C ATOM 1199 CD2 PHE A1097 -0.123 36.796 -5.572 1.00 33.38 C ATOM 1200 CE1 PHE A1097 1.420 38.595 -6.995 1.00 33.28 C ATOM 1201 CE2 PHE A1097 -0.207 38.155 -5.302 1.00 38.59 C ATOM 1202 CZ PHE A1097 0.566 39.062 -6.034 1.00 35.59 C ATOM 1203 H PHE A1097 1.222 32.199 -6.547 1.00 0.00 H ATOM 1204 N GLU A1098 0.834 33.823 -3.862 1.00 34.75 N ATOM 1205 CA GLU A1098 0.574 34.039 -2.443 1.00 33.66 C ATOM 1206 C GLU A1098 1.828 33.693 -1.628 1.00 34.50 C ATOM 1207 O GLU A1098 2.149 34.367 -0.661 1.00 34.92 O ATOM 1208 CB GLU A1098 -0.609 33.199 -1.994 1.00 32.80 C ATOM 1209 CG GLU A1098 -0.849 33.144 -0.504 1.00 33.84 C ATOM 1210 CD GLU A1098 -0.997 34.514 0.151 1.00 38.45 C ATOM 1211 OE1 GLU A1098 -1.123 35.546 -0.566 1.00 32.20 O ATOM 1212 OE2 GLU A1098 -1.014 34.557 1.406 1.00 40.18 O ATOM 1213 H GLU A1098 0.260 33.127 -4.380 1.00 0.00 H ATOM 1214 N GLN A1099 2.529 32.648 -2.034 1.00 35.94 N ATOM 1215 CA GLN A1099 3.718 32.169 -1.327 1.00 36.65 C ATOM 1216 C GLN A1099 4.817 33.174 -1.428 1.00 38.92 C ATOM 1217 O GLN A1099 5.596 33.357 -0.490 1.00 38.07 O ATOM 1218 CB GLN A1099 4.169 30.842 -1.937 1.00 42.38 C ATOM 1219 CG GLN A1099 5.253 30.094 -1.212 1.00 51.99 C ATOM 1220 CD GLN A1099 4.919 29.836 0.244 1.00 58.49 C ATOM 1221 OE1 GLN A1099 3.834 29.370 0.560 1.00 52.17 O ATOM 1222 NE2 GLN A1099 5.852 30.168 1.139 1.00 59.80 N ATOM 1223 HE22 GLN A1099 6.761 30.561 0.821 1.00 0.00 H ATOM 1224 HE21 GLN A1099 5.670 30.033 2.154 1.00 0.00 H ATOM 1225 H GLN A1099 2.223 32.145 -2.891 1.00 0.00 H ATOM 1226 N LEU A1100 4.903 33.819 -2.587 1.00 40.91 N ATOM 1227 CA LEU A1100 5.928 34.837 -2.824 1.00 33.92 C ATOM 1228 C LEU A1100 5.615 36.015 -1.935 1.00 39.12 C ATOM 1229 O LEU A1100 6.527 36.693 -1.426 1.00 41.73 O ATOM 1230 CB LEU A1100 5.929 35.281 -4.300 1.00 33.19 C ATOM 1231 CG LEU A1100 6.749 36.557 -4.617 1.00 41.52 C ATOM 1232 CD1 LEU A1100 8.226 36.437 -4.240 1.00 40.97 C ATOM 1233 CD2 LEU A1100 6.653 36.913 -6.086 1.00 43.23 C ATOM 1234 H LEU A1100 4.226 33.595 -3.344 1.00 0.00 H ATOM 1235 N CYS A1101 4.314 36.294 -1.778 1.00 39.87 N ATOM 1236 CA CYS A1101 3.860 37.439 -0.939 1.00 37.46 C ATOM 1237 C CYS A1101 4.234 37.207 0.538 1.00 33.84 C ATOM 1238 O CYS A1101 4.742 38.071 1.188 1.00 30.58 O ATOM 1239 CB CYS A1101 2.363 37.649 -1.084 1.00 36.02 C ATOM 1240 SG CYS A1101 1.843 38.547 -2.590 1.00 35.98 S ATOM 1241 H CYS A1101 3.605 35.698 -2.252 1.00 0.00 H ATOM 1242 N GLU A1102 3.986 36.005 1.020 1.00 32.58 N ATOM 1243 CA GLU A1102 4.325 35.607 2.345 1.00 37.32 C ATOM 1244 C GLU A1102 5.868 35.675 2.601 1.00 47.82 C ATOM 1245 O GLU A1102 6.293 36.025 3.694 1.00 48.83 O ATOM 1246 CB GLU A1102 3.786 34.200 2.603 1.00 38.22 C ATOM 1247 CG GLU A1102 2.329 34.176 3.041 1.00 52.56 C ATOM 1248 CD GLU A1102 1.661 32.804 2.902 1.00 64.72 C ATOM 1249 OE1 GLU A1102 2.399 31.781 3.023 1.00 58.44 O ATOM 1250 OE2 GLU A1102 0.398 32.750 2.674 1.00 53.21 O ATOM 1251 H GLU A1102 3.519 35.312 0.401 1.00 0.00 H ATOM 1252 N GLU A1103 6.688 35.358 1.597 1.00 49.91 N ATOM 1253 CA GLU A1103 8.150 35.321 1.772 1.00 46.35 C ATOM 1254 C GLU A1103 8.761 36.724 1.791 1.00 45.73 C ATOM 1255 O GLU A1103 9.690 36.996 2.542 1.00 49.80 O ATOM 1256 CB GLU A1103 8.840 34.401 0.735 1.00 41.48 C ATOM 1257 CG GLU A1103 8.667 32.924 1.092 1.00 45.59 C ATOM 1258 CD GLU A1103 9.256 31.947 0.062 1.00 67.11 C ATOM 1259 OE1 GLU A1103 9.880 32.411 -0.964 1.00 40.38 O ATOM 1260 OE2 GLU A1103 9.074 30.695 0.290 1.00 55.82 O ATOM 1261 H GLU A1103 6.284 35.131 0.666 1.00 0.00 H ATOM 1262 N ILE A1104 8.220 37.619 0.983 1.00 46.13 N ATOM 1263 CA ILE A1104 8.639 39.010 1.014 1.00 44.00 C ATOM 1264 C ILE A1104 8.246 39.675 2.334 1.00 51.49 C ATOM 1265 O ILE A1104 8.961 40.534 2.859 1.00 59.18 O ATOM 1266 CB ILE A1104 8.023 39.802 -0.119 1.00 45.85 C ATOM 1267 CG1 ILE A1104 8.465 39.261 -1.487 1.00 43.41 C ATOM 1268 CG2 ILE A1104 8.407 41.282 0.006 1.00 51.90 C ATOM 1269 CD1 ILE A1104 7.557 39.754 -2.623 1.00 50.88 C ATOM 1270 H ILE A1104 7.482 37.323 0.313 1.00 0.00 H ATOM 1271 N GLN A1105 7.086 39.279 2.837 1.00 63.65 N ATOM 1272 CA GLN A1105 6.570 39.737 4.112 1.00 66.27 C ATOM 1273 C GLN A1105 7.465 39.252 5.269 1.00 69.71 C ATOM 1274 O GLN A1105 7.925 40.068 6.070 1.00 73.11 O ATOM 1275 CB GLN A1105 5.113 39.266 4.289 1.00 50.23 C ATOM 1276 CG GLN A1105 4.460 39.718 5.598 1.00 48.47 C ATOM 1277 CD GLN A1105 3.330 38.806 6.028 1.00 55.81 C ATOM 1278 OE1 GLN A1105 3.467 37.560 5.993 1.00 62.54 O ATOM 1279 NE2 GLN A1105 2.180 39.397 6.395 1.00 48.93 N ATOM 1280 HE22 GLN A1105 2.110 40.435 6.410 1.00 0.00 H ATOM 1281 HE21 GLN A1105 1.360 38.817 6.664 1.00 0.00 H ATOM 1282 H GLN A1105 6.516 38.604 2.288 1.00 0.00 H ATOM 1283 N GLU A1106 7.695 37.938 5.341 1.00 67.84 N ATOM 1284 CA GLU A1106 8.611 37.310 6.318 1.00 57.17 C ATOM 1285 C GLU A1106 10.049 37.838 6.310 1.00 68.29 C ATOM 1286 O GLU A1106 10.767 37.642 7.285 1.00 78.73 O ATOM 1287 CB GLU A1106 8.693 35.804 6.097 1.00 56.18 C ATOM 1288 CG GLU A1106 7.566 35.014 6.725 1.00 65.24 C ATOM 1289 CD GLU A1106 7.270 33.737 5.960 1.00 81.06 C ATOM 1290 OE1 GLU A1106 8.208 33.120 5.405 1.00 85.29 O ATOM 1291 OE2 GLU A1106 6.084 33.354 5.899 1.00101.42 O ATOM 1292 H GLU A1106 7.199 37.318 4.669 1.00 0.00 H ATOM 1293 N SER A1107 10.483 38.484 5.226 1.00 62.24 N ATOM 1294 CA SER A1107 11.816 39.075 5.190 1.00 66.66 C ATOM 1295 C SER A1107 11.795 40.557 5.623 1.00 76.81 C ATOM 1296 O SER A1107 12.647 41.358 5.213 1.00 75.96 O ATOM 1297 CB SER A1107 12.460 38.887 3.808 1.00 59.82 C ATOM 1298 OG SER A1107 12.073 39.904 2.899 1.00 68.36 O ATOM 1299 HG SER A1107 12.508 39.746 2.024 1.00 0.00 H ATOM 1300 H SER A1107 9.862 38.567 4.396 1.00 0.00 H ATOM 1301 N ARG A1108 10.832 40.903 6.479 1.00 94.49 N ATOM 1302 CA ARG A1108 10.685 42.260 7.027 1.00 99.20 C ATOM 1303 C ARG A1108 10.403 42.184 8.523 1.00100.13 C ATOM 1304 O ARG A1108 9.771 41.230 9.021 1.00 66.42 O ATOM 1305 CB ARG A1108 9.556 43.014 6.327 1.00106.97 C ATOM 1306 CG ARG A1108 9.831 43.261 4.856 1.00113.72 C ATOM 1307 CD ARG A1108 8.642 43.853 4.130 1.00107.28 C ATOM 1308 NE ARG A1108 9.003 44.106 2.739 1.00106.82 N ATOM 1309 CZ ARG A1108 8.333 44.897 1.905 1.00110.02 C ATOM 1310 NH1 ARG A1108 8.775 45.047 0.654 1.00 99.83 N ATOM 1311 NH2 ARG A1108 7.232 45.541 2.304 1.00105.53 N ATOM 1312 OXT ARG A1108 10.826 43.083 9.261 1.00132.52 O ATOM 1313 HE ARG A1108 9.851 43.630 2.370 1.00 0.00 H ATOM 1314 HH12 ARG A1108 8.261 45.662 -0.009 1.00 0.00 H ATOM 1315 HH11 ARG A1108 9.633 44.549 0.342 1.00 0.00 H ATOM 1316 HH22 ARG A1108 6.720 46.156 1.640 1.00 0.00 H ATOM 1317 HH21 ARG A1108 6.888 45.427 3.279 1.00 0.00 H ATOM 1318 H ARG A1108 10.150 40.176 6.774 1.00 0.00 H TER 1319 ARG A1108 HETATM 1320 O HOH 1 -25.177 54.343 1.877 1.00 52.86 O HETATM 1321 O HOH 2 -30.283 30.064 14.129 1.00 48.74 O HETATM 1322 O HOH 3 -0.744 41.941 5.735 1.00 46.67 O HETATM 1323 O HOH 4 -8.889 34.522 8.669 1.00 44.26 O HETATM 1324 O HOH 5 -2.463 34.455 -11.232 1.00 58.90 O HETATM 1325 O HOH 6 13.850 41.186 -4.745 1.00 59.80 O HETATM 1326 O HOH 7 -12.729 53.648 4.607 1.00 50.59 O HETATM 1327 O HOH 8 -9.107 39.460 -9.192 1.00 50.98 O HETATM 1328 O HOH 9 -9.551 47.318 12.599 1.00 51.94 O HETATM 1329 O HOH 10 12.125 39.606 0.420 1.00 63.33 O HETATM 1330 O HOH 11 -13.852 32.315 -10.439 1.00 52.62 O HETATM 1331 O HOH 12 11.772 34.080 -0.861 1.00 44.61 O HETATM 1332 O HOH 13 -21.473 46.862 7.613 1.00 33.27 O HETATM 1333 O HOH 14 -40.469 33.939 13.308 1.00 53.78 O HETATM 1334 O HOH 15 -16.961 48.842 9.740 1.00 42.54 O HETATM 1335 O HOH 16 -16.222 41.983 19.347 1.00 54.75 O HETATM 1336 O HOH 17 -34.491 34.598 7.321 1.00 34.84 O HETATM 1337 O HOH 18 -21.685 48.091 -3.801 1.00 54.24 O HETATM 1338 O HOH 19 9.674 36.129 9.078 1.00 58.89 O HETATM 1339 O HOH 20 -21.907 42.306 11.934 1.00 41.35 O HETATM 1340 O HOH 21 -5.150 38.522 -10.948 1.00 31.89 O HETATM 1341 O HOH 22 -16.018 38.698 15.270 1.00 40.45 O HETATM 1342 O HOH 23 -3.271 31.053 -14.011 1.00 52.05 O HETATM 1343 O HOH 24 -24.552 33.276 15.455 1.00 48.37 O HETATM 1344 O HOH 25 -18.360 44.584 11.091 1.00 48.36 O HETATM 1345 O HOH 26 10.524 32.659 4.173 1.00 56.87 O HETATM 1346 O HOH 27 5.510 38.924 -8.698 1.00 55.71 O HETATM 1347 O HOH 28 -29.006 31.177 8.371 1.00 42.23 O HETATM 1348 O HOH 29 -12.988 36.226 12.587 1.00 43.31 O HETATM 1349 O HOH 30 -8.486 45.769 -9.198 1.00 27.44 O HETATM 1350 O HOH 31 -8.196 44.479 10.791 1.00 37.95 O HETATM 1351 O HOH 32 -24.165 45.043 -2.325 1.00 31.13 O HETATM 1352 O HOH 33 3.963 40.908 -10.008 1.00 75.99 O HETATM 1353 O HOH 34 -10.653 37.186 11.579 1.00 32.47 O HETATM 1354 O HOH 35 0.175 49.860 8.693 1.00 56.16 O HETATM 1355 O HOH 36 -20.458 42.358 9.512 1.00 30.21 O HETATM 1356 O HOH 37 -18.705 34.895 15.578 1.00 43.68 O HETATM 1357 O HOH 38 -14.429 43.464 -9.602 1.00 48.74 O HETATM 1358 O HOH 39 0.265 45.990 -0.097 1.00 40.75 O HETATM 1359 O HOH 40 -23.733 48.489 4.455 1.00 47.89 O HETATM 1360 O HOH 41 -2.866 46.274 0.900 1.00 29.09 O HETATM 1361 O HOH 42 0.112 36.580 6.178 1.00 49.79 O HETATM 1362 O HOH 43 -23.718 35.882 19.663 1.00 58.67 O HETATM 1363 O HOH 44 -6.597 35.655 -11.127 1.00 56.97 O HETATM 1364 O HOH 45 4.141 27.525 -3.502 1.00 47.39 O HETATM 1365 O HOH 46 -27.238 42.619 2.762 1.00 30.46 O HETATM 1366 O HOH 47 -35.634 39.899 16.102 1.00 80.61 O HETATM 1367 O HOH 48 -20.041 44.511 8.148 1.00 44.86 O HETATM 1368 O HOH 49 -28.913 41.736 17.644 1.00 57.32 O HETATM 1369 O HOH 50 -21.512 33.098 -4.509 1.00 45.13 O HETATM 1370 O HOH 51 -5.751 28.431 -5.598 1.00 53.03 O HETATM 1371 O HOH 52 -20.446 40.053 -8.575 1.00 50.19 O HETATM 1372 O HOH 53 -7.612 41.826 21.174 1.00 50.70 O HETATM 1373 O HOH 54 -36.984 39.011 11.619 1.00 48.33 O HETATM 1374 O HOH 55 -15.678 28.499 -0.147 1.00 37.18 O HETATM 1375 O HOH 56 -26.841 32.552 -0.969 1.00 43.47 O HETATM 1376 O HOH 57 -29.693 44.115 -0.176 1.00 40.07 O HETATM 1377 O HOH 58 -1.484 38.734 -13.336 1.00 37.18 O HETATM 1378 O HOH 59 -21.967 54.283 6.570 1.00 50.98 O HETATM 1379 O HOH 60 -6.521 34.071 7.010 1.00 57.09 O HETATM 1380 O HOH 61 -36.495 31.730 11.444 1.00 69.90 O HETATM 1381 O HOH 62 -17.831 48.698 -0.357 1.00 47.41 O HETATM 1382 O HOH 63 -9.506 29.678 -0.625 1.00 46.67 O HETATM 1383 O HOH 64 -7.645 48.998 13.916 1.00 49.94 O HETATM 1384 O HOH 65 -5.512 41.592 8.506 1.00 40.46 O HETATM 1385 O HOH 66 -20.189 38.264 -5.210 1.00 46.10 O HETATM 1386 O HOH 67 -20.606 40.155 22.609 1.00 68.07 O HETATM 1387 O HOH 68 -14.829 33.962 9.814 1.00 51.55 O HETATM 1388 O HOH 69 -29.725 44.196 2.046 1.00 50.83 O HETATM 1389 O HOH 70 -0.930 50.055 -10.723 1.00 55.07 O HETATM 1390 O HOH 71 -0.889 31.877 -13.102 1.00 55.89 O HETATM 1391 O HOH 72 -9.088 52.595 -5.091 1.00 49.36 O HETATM 1392 O HOH 73 -15.234 28.676 2.914 1.00 54.45 O HETATM 1393 O HOH 74 -26.484 50.136 2.746 1.00 59.96 O HETATM 1394 O HOH 75 -8.634 27.528 -11.262 1.00 62.13 O HETATM 1395 O HOH 76 -19.224 49.104 11.072 1.00 43.53 O HETATM 1396 O HOH 77 4.033 25.284 -9.698 1.00 55.39 O HETATM 1397 O HOH 78 -2.057 27.865 -7.856 1.00 52.81 O HETATM 1398 O HOH 79 -3.002 43.125 7.851 1.00 42.51 O HETATM 1399 O HOH 80 3.926 48.405 -4.113 1.00 48.39 O HETATM 1400 O HOH 81 -22.766 51.323 16.967 1.00 57.56 O HETATM 1401 O HOH 82 5.097 25.332 -7.258 1.00 59.88 O HETATM 1402 O HOH 83 -17.191 36.659 17.466 1.00 69.03 O HETATM 1403 O HOH 84 -26.595 40.602 -6.906 1.00 36.82 O HETATM 1404 O HOH 85 -24.352 30.583 3.593 1.00 54.96 O HETATM 1405 O HOH 86 0.599 27.059 -8.153 1.00 56.49 O HETATM 1406 O HOH 87 9.354 28.493 2.337 1.00 46.95 O HETATM 1407 O HOH 88 -11.602 41.490 16.530 1.00 48.17 O HETATM 1408 O HOH 89 -20.535 27.032 4.787 1.00 44.15 O HETATM 1409 O HOH 90 -13.350 30.832 7.341 1.00 60.54 O HETATM 1410 O HOH 91 -13.601 52.741 0.451 1.00 50.40 O HETATM 1411 O HOH 92 -24.954 48.193 7.363 1.00 55.21 O HETATM 1412 O HOH 93 -29.990 48.401 19.927 1.00 48.22 O HETATM 1413 O HOH 94 -7.263 32.080 5.680 1.00 46.87 O HETATM 1414 O HOH 95 -22.827 29.648 0.946 1.00 45.44 O HETATM 1415 O HOH 96 -14.659 42.023 16.739 1.00 47.59 O HETATM 1416 O HOH 97 -14.703 53.224 5.689 1.00 40.55 O HETATM 1417 O HOH 98 -0.017 46.203 7.847 1.00 69.95 O HETATM 1418 O HOH 99 -14.001 50.818 10.067 1.00 53.18 O HETATM 1419 O HOH 100 -15.403 48.141 -4.699 1.00 42.10 O HETATM 1420 O HOH 101 -13.629 27.451 -6.084 1.00 59.18 O HETATM 1421 O HOH 102 4.742 50.853 0.953 1.00 50.72 O HETATM 1422 O HOH 103 -4.686 32.706 9.569 1.00 86.61 O HETATM 1423 O HOH 104 -26.576 41.699 19.871 1.00 52.66 O HETATM 1424 O HOH 105 -19.328 47.053 10.321 1.00 50.24 O HETATM 1425 O HOH 106 -0.008 29.308 -0.958 1.00 57.68 O HETATM 1426 O HOH 107 -17.732 35.992 -9.610 1.00 54.45 O HETATM 1427 O HOH 108 -15.783 48.104 -1.590 1.00 63.07 O HETATM 1428 O HOH 109 3.764 52.291 -4.289 1.00 47.89 O HETATM 1429 O HOH 110 -32.794 42.458 2.089 1.00 47.92 O HETATM 1430 O HOH 111 -17.880 48.787 -4.953 1.00 65.94 O HETATM 1431 O HOH 112 -18.404 38.136 -9.475 1.00 45.77 O HETATM 1432 O HOH 113 -27.948 38.896 -5.245 1.00 62.13 O HETATM 1433 O HOH 114 -34.352 34.139 20.125 1.00 62.56 O HETATM 1434 O HOH 115 -11.195 53.842 -0.390 1.00 52.36 O HETATM 1435 O HOH 116 1.032 48.761 6.565 1.00 57.89 O HETATM 1436 O HOH 117 -19.504 53.904 11.753 1.00 55.36 O HETATM 1437 O HOH 118 -32.687 47.739 13.325 1.00 45.42 O HETATM 1438 O HOH 119 -33.554 31.945 19.694 1.00 55.78 O HETATM 1439 O HOH 120 -19.374 29.900 -2.415 1.00 42.85 O HETATM 1440 O HOH 121 -19.776 28.987 10.119 1.00 49.02 O HETATM 1441 O HOH 122 4.258 47.978 -1.535 1.00 39.29 O HETATM 1442 O HOH 123 -29.994 44.695 17.885 1.00 59.68 O HETATM 1443 O HOH 124 -28.494 43.460 20.174 1.00 91.15 O HETATM 1444 O HOH 125 -8.822 39.857 11.940 1.00 54.42 O HETATM 1445 O HOH 126 -11.513 46.367 -9.050 1.00 44.45 O HETATM 1446 O HOH 127 4.633 38.405 9.193 1.00 63.49 O HETATM 1447 O HOH 128 -25.696 29.618 11.462 1.00 40.50 O HETATM 1448 O HOH 129 -15.523 52.040 -1.800 1.00 50.78 O HETATM 1449 O HOH 130 -31.082 46.771 16.015 1.00 54.98 O HETATM 1450 O HOH 131 -11.981 48.043 20.813 1.00 48.10 O HETATM 1451 O HOH 132 -5.308 29.634 -3.421 1.00 67.84 O HETATM 1452 O HOH 133 -13.100 48.228 -6.784 1.00 60.20 O HETATM 1453 O HOH 134 -16.983 32.739 10.956 1.00 57.81 O HETATM 1454 O HOH 135 15.600 46.221 -1.262 1.00 55.42 O HETATM 1455 O HOH 136 -15.280 39.500 20.778 1.00 71.99 O HETATM 1456 O HOH 137 -16.240 42.128 22.759 1.00 58.08 O HETATM 1457 O HOH 138 -8.033 24.631 -1.839 1.00 81.67 O HETATM 1458 O HOH 139 2.939 46.877 0.486 1.00 45.72 O HETATM 1459 O HOH 140 -26.091 46.612 -3.712 1.00 53.03 O HETATM 1460 O HOH 141 -18.582 31.315 -4.749 1.00 44.45 O HETATM 1461 O HOH 142 -16.831 54.178 4.708 1.00 55.58 O HETATM 1462 O HOH 143 -8.089 42.274 -12.004 1.00 31.48 O HETATM 1463 O HOH 144 -11.294 49.937 9.626 1.00 50.57 O HETATM 1464 O HOH 145 -13.522 27.383 -1.219 1.00 43.33 O HETATM 1465 O HOH 146 -19.642 37.024 -7.041 1.00 47.05 O HETATM 1466 O HOH 147 -17.133 31.790 -7.065 1.00 46.03 O HETATM 1467 O HOH 148 -18.304 27.594 -1.201 1.00 48.54 O HETATM 1468 O HOH 149 -24.308 30.960 -4.699 1.00 57.81 O HETATM 1469 O HOH 150 -15.807 27.810 7.711 1.00 66.07 O HETATM 1470 O HOH 151 -21.184 52.604 14.615 1.00 62.28 O HETATM 1471 O HOH 152 -2.613 30.183 -2.186 1.00 41.05 O HETATM 1472 O HOH 153 -21.960 25.649 3.127 1.00 51.03 O HETATM 1473 O HOH 154 -9.934 51.357 7.717 1.00 37.65 O HETATM 1474 O HOH 155 2.179 47.015 -11.253 1.00102.33 O HETATM 1475 O HOH 156 -9.150 34.836 11.232 1.00 54.71 O HETATM 1476 O HOH 157 -4.866 32.279 1.285 1.00 49.72 O HETATM 1477 O HOH 158 -11.087 25.373 -7.600 1.00 62.16 O HETATM 1478 O HOH 159 -10.896 27.476 0.306 1.00 49.31 O HETATM 1479 O HOH 160 -15.014 33.298 14.430 1.00 46.77 O HETATM 1480 O HOH 161 -26.695 29.902 8.294 1.00 57.63 O HETATM 1481 O HOH 162 -27.414 48.104 4.980 1.00 58.32 O HETATM 1482 O HOH 163 16.359 47.185 -5.443 1.00 71.22 O HETATM 1483 O HOH 164 -35.170 32.116 8.976 1.00 44.61 O HETATM 1484 O HOH 165 -19.705 49.699 -1.887 1.00 46.83 O HETATM 1485 O HOH 166 -13.442 29.043 4.689 1.00 58.44 O HETATM 1486 O HOH 167 -18.033 32.960 14.035 1.00 70.11 O HETATM 1487 O HOH 168 -13.118 33.516 12.122 1.00 51.60 O HETATM 1488 O HOH 169 -24.865 29.252 6.037 1.00 40.97 O HETATM 1489 O HOH 170 -8.927 53.218 6.643 1.00 63.08 O HETATM 1490 O HOH 171 -26.187 29.230 16.332 1.00 57.98 O HETATM 1491 O HOH 172 -18.661 51.039 13.085 1.00 51.21 O HETATM 1492 O HOH 173 -14.483 26.515 -3.638 1.00 47.51 O HETATM 1493 O HOH 174 -16.117 51.958 10.939 1.00 63.45 O HETATM 1494 O HOH 175 -12.854 39.417 16.615 1.00 45.68 O HETATM 1495 O HOH 176 -27.802 32.387 21.460 1.00 51.24 O HETATM 1496 O HOH 177 -23.328 29.213 8.325 1.00 46.77 O HETATM 1497 O HOH 178 -19.739 55.413 4.695 1.00 52.56 O HETATM 1498 O HOH 179 -8.762 28.232 2.707 1.00 72.03 O HETATM 1499 O HOH 180 -14.309 52.069 -4.460 1.00 45.65 O HETATM 1500 C15 FZH A 181 -29.527 46.830 11.028 1.00 -0.08 C HETATM 1501 C17 FZH A 181 -29.893 45.764 11.820 1.00 -0.05 C HETATM 1502 C19 FZH A 181 -28.992 44.735 12.138 1.00 0.07 C HETATM 1503 N20 FZH A 181 -29.351 43.664 12.937 1.00 -0.32 N HETATM 1504 C22 FZH A 181 -30.672 43.383 13.481 1.00 0.05 C HETATM 1505 C24 FZH A 181 -30.589 43.038 14.967 1.00 0.01 C HETATM 1506 C27 FZH A 181 -31.908 42.436 15.453 1.00 -0.02 C HETATM 1507 C29 FZH A 181 -33.116 43.312 15.136 1.00 -0.00 C HETATM 1508 C32 FZH A 181 -33.651 42.792 13.777 1.00 -0.00 C HETATM 1509 C35 FZH A 181 -32.626 41.722 13.388 1.00 -0.02 C HETATM 1510 N37 FZH A 181 -32.234 41.206 14.715 1.00 0.23 N HETATM 1511 H19 FZH A 181 -32.995 40.710 15.152 1.00 0.20 H HETATM 1512 H20 FZH A 181 -31.432 40.599 14.647 1.00 0.20 H HETATM 1513 C39 FZH A 181 -31.381 42.279 12.677 1.00 0.02 C HETATM 1514 C41 FZH A 181 -31.764 42.746 11.273 1.00 -0.04 C HETATM 1515 C44 FZH A 181 -31.305 41.827 10.154 1.00 -0.05 C HETATM 1516 C47 FZH A 181 -31.429 42.397 8.759 1.00 -0.04 C HETATM 1517 C49 FZH A 181 -30.259 43.308 8.402 1.00 -0.03 C HETATM 1518 C52 FZH A 181 -30.449 44.036 7.083 1.00 0.07 C HETATM 1519 S55 FZH A 181 -30.587 42.920 5.723 1.00 -0.03 S HETATM 1520 O56 FZH A 181 -31.094 43.628 4.584 1.00 -0.17 O HETATM 1521 O57 FZH A 181 -29.352 42.205 5.574 1.00 -0.17 O HETATM 1522 C58 FZH A 181 -31.828 41.813 6.315 1.00 0.07 C HETATM 1523 C61 FZH A 181 -31.539 41.297 7.719 1.00 -0.03 C HETATM 1524 H33 FZH A 181 -32.353 40.619 8.015 1.00 0.03 H HETATM 1525 H34 FZH A 181 -30.589 40.742 7.697 1.00 0.03 H HETATM 1526 H31 FZH A 181 -31.888 40.954 5.630 1.00 0.05 H HETATM 1527 H32 FZH A 181 -32.793 42.341 6.327 1.00 0.05 H HETATM 1528 H29 FZH A 181 -29.585 44.696 6.914 1.00 0.05 H HETATM 1529 H30 FZH A 181 -31.366 44.640 7.140 1.00 0.05 H HETATM 1530 H27 FZH A 181 -29.347 42.696 8.336 1.00 0.03 H HETATM 1531 H28 FZH A 181 -30.142 44.056 9.200 1.00 0.03 H HETATM 1532 H26 FZH A 181 -32.351 42.996 8.725 1.00 0.03 H HETATM 1533 H24 FZH A 181 -31.907 40.908 10.200 1.00 0.03 H HETATM 1534 H25 FZH A 181 -30.247 41.581 10.328 1.00 0.03 H HETATM 1535 H22 FZH A 181 -31.318 43.738 11.107 1.00 0.03 H HETATM 1536 H23 FZH A 181 -32.860 42.825 11.225 1.00 0.03 H HETATM 1537 H21 FZH A 181 -30.665 41.451 12.569 1.00 0.04 H HETATM 1538 H18 FZH A 181 -33.087 40.944 12.763 1.00 0.09 H HETATM 1539 H16 FZH A 181 -33.683 43.599 13.030 1.00 0.03 H HETATM 1540 H17 FZH A 181 -34.655 42.356 13.888 1.00 0.03 H HETATM 1541 H14 FZH A 181 -32.816 44.367 15.054 1.00 0.03 H HETATM 1542 H15 FZH A 181 -33.883 43.208 15.918 1.00 0.03 H HETATM 1543 H13 FZH A 181 -31.837 42.245 16.534 1.00 0.09 H HETATM 1544 H4 FZH A 181 -30.376 43.953 15.540 1.00 0.03 H HETATM 1545 H5 FZH A 181 -29.779 42.310 15.125 1.00 0.03 H HETATM 1546 H3 FZH A 181 -31.274 44.299 13.386 1.00 0.06 H HETATM 1547 H12 FZH A 181 -28.605 42.994 13.172 1.00 0.17 H HETATM 1548 C64 FZH A 181 -27.692 44.831 11.621 1.00 0.11 C HETATM 1549 N65 FZH A 181 -26.769 43.851 11.956 1.00 -0.23 N HETATM 1550 C67 FZH A 181 -25.474 43.802 11.538 1.00 0.22 C HETATM 1551 O68 FZH A 181 -24.759 42.852 11.882 1.00 -0.40 O HETATM 1552 C69 FZH A 181 -25.059 44.894 10.655 1.00 0.03 C HETATM 1553 C70 FZH A 181 -23.663 44.911 10.122 1.00 -0.02 C HETATM 1554 H36 FZH A 181 -23.526 45.795 9.482 1.00 0.04 H HETATM 1555 H37 FZH A 181 -23.485 44.000 9.532 1.00 0.04 H HETATM 1556 H38 FZH A 181 -22.951 44.951 10.960 1.00 0.04 H HETATM 1557 C74 FZH A 181 -25.923 45.878 10.341 1.00 -0.05 C HETATM 1558 C76 FZH A 181 -27.286 45.903 10.801 1.00 -0.00 C HETATM 1559 C14 FZH A 181 -28.234 46.902 10.490 1.00 -0.03 C HETATM 1560 C11 FZH A 181 -27.902 48.099 9.659 1.00 -0.01 C HETATM 1561 C09 FZH A 181 -26.867 48.945 10.016 1.00 0.01 C HETATM 1562 N08 FZH A 181 -26.543 50.063 9.346 1.00 -0.31 N HETATM 1563 C06 FZH A 181 -27.288 50.391 8.292 1.00 0.01 C HETATM 1564 C05 FZH A 181 -28.380 49.658 7.865 1.00 -0.02 C HETATM 1565 C01 FZH A 181 -29.207 50.095 6.668 1.00 -0.03 C HETATM 1566 H6 FZH A 181 -28.791 51.026 6.255 1.00 0.04 H HETATM 1567 H7 FZH A 181 -30.247 50.266 6.983 1.00 0.04 H HETATM 1568 H8 FZH A 181 -29.182 49.309 5.898 1.00 0.04 H HETATM 1569 C12 FZH A 181 -28.686 48.506 8.580 1.00 -0.04 C HETATM 1570 H11 FZH A 181 -29.548 47.914 8.294 1.00 0.07 H HETATM 1571 H9 FZH A 181 -27.023 51.284 7.737 1.00 0.07 H HETATM 1572 H10 FZH A 181 -26.281 48.689 10.891 1.00 0.08 H HETATM 1573 H39 FZH A 181 -25.574 46.693 9.709 1.00 0.06 H HETATM 1574 H35 FZH A 181 -27.082 43.116 12.557 1.00 0.23 H HETATM 1575 H2 FZH A 181 -30.904 45.718 12.208 1.00 0.05 H HETATM 1576 H1 FZH A 181 -30.242 47.617 10.819 1.00 0.05 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1500 1501 1559 1576 CONECT 1501 1500 1502 1575 CONECT 1502 1501 1503 1548 CONECT 1503 1502 1504 1547 CONECT 1504 1503 1505 1513 1546 CONECT 1505 1504 1506 1544 1545 CONECT 1506 1505 1507 1510 1543 CONECT 1507 1506 1508 1541 1542 CONECT 1508 1507 1509 1539 1540 CONECT 1509 1508 1510 1513 1538 CONECT 1510 1506 1509 1511 1512 CONECT 1511 1510 CONECT 1512 1510 CONECT 1513 1504 1509 1514 1537 CONECT 1514 1513 1515 1535 1536 CONECT 1515 1514 1516 1533 1534 CONECT 1516 1515 1517 1523 1532 CONECT 1517 1516 1518 1530 1531 CONECT 1518 1517 1519 1528 1529 CONECT 1519 1518 1520 1521 1522 CONECT 1520 1519 CONECT 1521 1519 CONECT 1522 1519 1523 1526 1527 CONECT 1523 1516 1522 1524 1525 CONECT 1524 1523 CONECT 1525 1523 CONECT 1526 1522 CONECT 1527 1522 CONECT 1528 1518 CONECT 1529 1518 CONECT 1530 1517 CONECT 1531 1517 CONECT 1532 1516 CONECT 1533 1515 CONECT 1534 1515 CONECT 1535 1514 CONECT 1536 1514 CONECT 1537 1513 CONECT 1538 1509 CONECT 1539 1508 CONECT 1540 1508 CONECT 1541 1507 CONECT 1542 1507 CONECT 1543 1506 CONECT 1544 1505 CONECT 1545 1505 CONECT 1546 1504 CONECT 1547 1503 CONECT 1548 1502 1549 1558 CONECT 1549 1548 1550 1574 CONECT 1550 1549 1551 1552 CONECT 1551 1550 CONECT 1552 1550 1553 1557 CONECT 1553 1552 1554 1555 1556 CONECT 1554 1553 CONECT 1555 1553 CONECT 1556 1553 CONECT 1557 1552 1558 1573 CONECT 1558 1548 1557 1559 CONECT 1559 1500 1558 1560 CONECT 1560 1559 1561 1569 CONECT 1561 1560 1562 1572 CONECT 1562 1561 1563 CONECT 1563 1562 1564 1571 CONECT 1564 1563 1565 1569 CONECT 1565 1564 1566 1567 1568 CONECT 1566 1565 CONECT 1567 1565 CONECT 1568 1565 CONECT 1569 1560 1564 1570 CONECT 1570 1569 CONECT 1571 1563 CONECT 1572 1561 CONECT 1573 1557 CONECT 1574 1549 CONECT 1575 1501 CONECT 1576 1500 MASTER 0 0 0 0 0 0 0 0 1575 1 81 10 END
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Structure:
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6hdo
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ATAD2
Ligand Name
FZH
EC.Number
E.C.-.-.-.-
Resolution
2.61(Å)
Affinity (Kd/Ki/IC50)
IC50=0.25uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J. Med. Chem. Vol. 61: pp. 8321-8336
Ligand Properties
Formula
C
3
0
H
3
9
N
4
O
3
S
Molecular Weight
535.721
Exact Mass
535.274
No. of atoms
77
No. of bonds
82
Polar Surface Area
116.91
LOGP Value
4.28 (
Computed with XLOGP3
)
6.43 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 6
Canonical SMILES
Cc1cncc(c1)c1ccc(c2c1cc(C)c(=O)[nH]2)N[C@@H]1C[C@H]2CC[C@@H]([C@H]1CCC1CCS(=O)(=O)CC1)[NH2+]2
InChI String
InChI=1S/C30H38N4O3S/c1-18-13-21(17-31-16-18)23-6-8-27(29-25(23)14-19(2)30(35)34-29)33-28-15-22-4-7-26(32-22)24(28)5-3-20-9-11-38(36,37)12-10-20/h6,8,13-14,16-17,20,22,24,26,28,32-33H,3-5,7,9-12,15H2,1-2H3,(H,34,35)/p+1/t22-,24-,26+,28-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q6PL18
Entrez Gene ID
NCBI Entrez Gene ID:
29028
ASD
Information of known allosteric effects of PDB entries
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