Browse entries in the PDBbind-CN Database
HEADER 6S56_COMPLEX COMPND 6S56_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 KVZ A 326 56 ATOM 1 N SER A 979 12.866 46.255 -3.501 1.00 62.27 N ATOM 2 CA SER A 979 12.979 46.110 -4.974 1.00 62.07 C ATOM 3 C SER A 979 11.667 46.538 -5.647 1.00 58.44 C ATOM 4 O SER A 979 10.593 46.416 -5.003 1.00 49.66 O ATOM 5 CB SER A 979 13.352 44.695 -5.350 1.00 63.64 C ATOM 6 OG SER A 979 12.312 43.798 -4.995 1.00 61.16 O ATOM 7 HG SER A 979 12.158 43.843 -4.018 1.00 0.00 H ATOM 8 HN3 SER A 979 12.091 45.655 -3.153 1.00 0.00 H ATOM 9 HN2 SER A 979 12.669 47.249 -3.266 1.00 0.00 H ATOM 10 HN1 SER A 979 13.759 45.963 -3.056 1.00 0.00 H ATOM 11 N MET A 980 11.778 47.017 -6.891 1.00 57.57 N ATOM 12 CA MET A 980 10.651 47.292 -7.819 1.00 65.24 C ATOM 13 C MET A 980 9.829 46.019 -8.055 1.00 57.94 C ATOM 14 O MET A 980 8.596 46.134 -8.136 1.00 57.17 O ATOM 15 CB MET A 980 11.163 47.820 -9.163 1.00 76.96 C ATOM 16 CG MET A 980 11.268 49.331 -9.204 1.00 90.75 C ATOM 17 SD MET A 980 9.678 50.147 -8.853 1.00107.95 S ATOM 18 CE MET A 980 8.659 49.562 -10.206 1.00 97.23 C ATOM 19 H MET A 980 12.738 47.214 -7.239 1.00 0.00 H ATOM 20 N GLN A 981 10.487 44.861 -8.162 1.00 54.92 N ATOM 21 CA GLN A 981 9.832 43.531 -8.314 1.00 57.78 C ATOM 22 C GLN A 981 8.913 43.260 -7.109 1.00 52.83 C ATOM 23 O GLN A 981 7.811 42.719 -7.314 1.00 46.92 O ATOM 24 CB GLN A 981 10.883 42.427 -8.457 1.00 65.87 C ATOM 25 CG GLN A 981 11.678 42.506 -9.758 1.00 72.11 C ATOM 26 CD GLN A 981 12.792 41.490 -9.833 1.00 81.03 C ATOM 27 OE1 GLN A 981 13.127 40.990 -10.908 1.00 83.24 O ATOM 28 NE2 GLN A 981 13.376 41.176 -8.683 1.00 77.67 N ATOM 29 HE22 GLN A 981 13.059 41.624 -7.800 1.00 0.00 H ATOM 30 HE21 GLN A 981 14.150 40.482 -8.665 1.00 0.00 H ATOM 31 H GLN A 981 11.526 44.890 -8.138 1.00 0.00 H ATOM 32 N GLU A 982 9.332 43.608 -5.892 1.00 42.22 N ATOM 33 CA GLU A 982 8.485 43.361 -4.696 1.00 44.45 C ATOM 34 C GLU A 982 7.305 44.331 -4.680 1.00 38.33 C ATOM 35 O GLU A 982 6.195 43.915 -4.236 1.00 34.49 O ATOM 36 CB GLU A 982 9.298 43.499 -3.423 1.00 46.03 C ATOM 37 CG GLU A 982 10.225 42.323 -3.220 1.00 56.04 C ATOM 38 CD GLU A 982 11.087 42.463 -1.974 1.00 58.98 C ATOM 39 OE1 GLU A 982 11.461 43.614 -1.661 1.00 52.48 O ATOM 40 OE2 GLU A 982 11.379 41.426 -1.320 1.00 62.65 O ATOM 41 H GLU A 982 10.263 44.058 -5.778 1.00 0.00 H ATOM 42 N GLU A 983 7.573 45.592 -5.024 1.00 38.30 N ATOM 43 CA GLU A 983 6.540 46.649 -5.101 1.00 41.65 C ATOM 44 C GLU A 983 5.456 46.186 -6.064 1.00 37.47 C ATOM 45 O GLU A 983 4.284 46.290 -5.667 1.00 31.78 O ATOM 46 CB GLU A 983 7.114 47.980 -5.578 1.00 52.09 C ATOM 47 CG GLU A 983 7.961 48.678 -4.535 1.00 65.05 C ATOM 48 CD GLU A 983 8.846 49.792 -5.075 1.00 77.79 C ATOM 49 OE1 GLU A 983 8.328 50.629 -5.850 1.00 83.59 O ATOM 50 OE2 GLU A 983 10.056 49.812 -4.726 1.00 90.51 O ATOM 51 H GLU A 983 8.556 45.845 -5.249 1.00 0.00 H ATOM 52 N ASP A 984 5.860 45.722 -7.264 1.00 32.23 N ATOM 53 CA ASP A 984 4.996 45.176 -8.343 1.00 33.68 C ATOM 54 C ASP A 984 4.125 44.025 -7.847 1.00 27.89 C ATOM 55 O ASP A 984 2.940 43.993 -8.155 1.00 25.50 O ATOM 56 CB ASP A 984 5.846 44.688 -9.514 1.00 39.44 C ATOM 57 CG ASP A 984 6.494 45.834 -10.272 1.00 44.25 C ATOM 58 OD1 ASP A 984 6.174 47.001 -9.949 1.00 49.18 O ATOM 59 OD2 ASP A 984 7.317 45.557 -11.154 1.00 47.66 O ATOM 60 H ASP A 984 6.882 45.749 -7.454 1.00 0.00 H ATOM 61 N THR A 985 4.699 43.127 -7.072 1.00 26.76 N ATOM 62 CA THR A 985 3.957 42.015 -6.469 1.00 28.96 C ATOM 63 C THR A 985 2.845 42.558 -5.563 1.00 30.12 C ATOM 64 O THR A 985 1.706 42.058 -5.683 1.00 24.88 O ATOM 65 CB THR A 985 4.912 41.095 -5.715 1.00 27.50 C ATOM 66 OG1 THR A 985 5.919 40.683 -6.640 1.00 28.79 O ATOM 67 CG2 THR A 985 4.182 39.911 -5.122 1.00 26.69 C ATOM 68 HG1 THR A 985 6.398 41.479 -6.981 1.00 0.00 H ATOM 69 H THR A 985 5.718 43.210 -6.881 1.00 0.00 H ATOM 70 N PHE A 986 3.154 43.499 -4.663 1.00 28.44 N ATOM 71 CA PHE A 986 2.135 44.039 -3.735 1.00 31.47 C ATOM 72 C PHE A 986 1.091 44.832 -4.519 1.00 28.11 C ATOM 73 O PHE A 986 -0.031 44.819 -4.099 1.00 26.42 O ATOM 74 CB PHE A 986 2.750 44.851 -2.602 1.00 31.85 C ATOM 75 CG PHE A 986 3.448 43.978 -1.603 1.00 34.10 C ATOM 76 CD1 PHE A 986 2.903 42.753 -1.225 1.00 38.45 C ATOM 77 CD2 PHE A 986 4.667 44.357 -1.068 1.00 37.40 C ATOM 78 CE1 PHE A 986 3.557 41.936 -0.312 1.00 40.42 C ATOM 79 CE2 PHE A 986 5.316 43.547 -0.147 1.00 41.43 C ATOM 80 CZ PHE A 986 4.763 42.338 0.229 1.00 41.49 C ATOM 81 H PHE A 986 4.129 43.858 -4.615 1.00 0.00 H ATOM 82 N ARG A 987 1.471 45.501 -5.601 1.00 28.99 N ATOM 83 CA ARG A 987 0.482 46.200 -6.451 1.00 31.98 C ATOM 84 C ARG A 987 -0.494 45.172 -7.032 1.00 26.73 C ATOM 85 O ARG A 987 -1.706 45.445 -6.975 1.00 22.79 O ATOM 86 CB ARG A 987 1.143 47.046 -7.544 1.00 34.17 C ATOM 87 CG ARG A 987 0.216 48.131 -8.068 1.00 36.99 C ATOM 88 CD ARG A 987 0.875 49.319 -8.740 1.00 45.84 C ATOM 89 NE ARG A 987 -0.176 50.095 -9.390 1.00 53.27 N ATOM 90 CZ ARG A 987 -0.639 49.899 -10.634 1.00 49.26 C ATOM 91 NH1 ARG A 987 -0.136 48.956 -11.421 1.00 47.19 N ATOM 92 NH2 ARG A 987 -1.602 50.671 -11.091 1.00 44.27 N ATOM 93 HE ARG A 987 -0.604 50.868 -8.841 1.00 0.00 H ATOM 94 HH12 ARG A 987 -0.513 48.825 -12.381 1.00 0.00 H ATOM 95 HH11 ARG A 987 0.635 48.348 -11.077 1.00 0.00 H ATOM 96 HH22 ARG A 987 -1.970 50.529 -12.054 1.00 0.00 H ATOM 97 HH21 ARG A 987 -1.995 51.423 -10.490 1.00 0.00 H ATOM 98 H ARG A 987 2.479 45.534 -5.855 1.00 0.00 H ATOM 99 N GLU A 988 0.003 44.052 -7.589 1.00 25.56 N ATOM 100 CA GLU A 988 -0.855 42.972 -8.147 1.00 25.02 C ATOM 101 C GLU A 988 -1.781 42.424 -7.058 1.00 22.77 C ATOM 102 O GLU A 988 -2.989 42.318 -7.254 1.00 21.33 O ATOM 103 CB GLU A 988 -0.001 41.838 -8.719 1.00 29.08 C ATOM 104 CG GLU A 988 -0.897 40.834 -9.412 1.00 28.09 C ATOM 105 CD GLU A 988 -0.292 39.822 -10.352 1.00 32.03 C ATOM 106 OE1 GLU A 988 0.927 39.972 -10.743 1.00 31.15 O ATOM 107 OE2 GLU A 988 -1.090 38.893 -10.723 1.00 26.36 O ATOM 108 H GLU A 988 1.036 43.936 -7.631 1.00 0.00 H ATOM 109 N LEU A 989 -1.265 42.221 -5.854 1.00 21.24 N ATOM 110 CA LEU A 989 -2.143 41.780 -4.766 1.00 20.94 C ATOM 111 C LEU A 989 -3.288 42.793 -4.581 1.00 20.99 C ATOM 112 O LEU A 989 -4.466 42.382 -4.521 1.00 20.86 O ATOM 113 CB LEU A 989 -1.299 41.671 -3.491 1.00 22.68 C ATOM 114 CG LEU A 989 -2.125 41.352 -2.251 1.00 22.55 C ATOM 115 CD1 LEU A 989 -2.825 40.016 -2.406 1.00 24.34 C ATOM 116 CD2 LEU A 989 -1.273 41.351 -1.010 1.00 25.69 C ATOM 117 H LEU A 989 -0.250 42.373 -5.683 1.00 0.00 H ATOM 118 N ARG A 990 -2.970 44.090 -4.427 1.00 22.45 N ATOM 119 CA ARG A 990 -4.008 45.128 -4.208 1.00 21.95 C ATOM 120 C ARG A 990 -5.014 45.114 -5.338 1.00 20.13 C ATOM 121 O ARG A 990 -6.194 45.213 -5.043 1.00 17.93 O ATOM 122 CB ARG A 990 -3.386 46.515 -4.034 1.00 24.89 C ATOM 123 CG ARG A 990 -2.632 46.687 -2.712 1.00 26.13 C ATOM 124 CD ARG A 990 -2.205 48.114 -2.472 1.00 25.70 C ATOM 125 NE ARG A 990 -1.346 48.703 -3.499 1.00 26.33 N ATOM 126 CZ ARG A 990 -0.008 48.665 -3.518 1.00 27.07 C ATOM 127 NH1 ARG A 990 0.665 48.007 -2.586 1.00 24.63 N ATOM 128 NH2 ARG A 990 0.649 49.239 -4.521 1.00 29.12 N ATOM 129 HE ARG A 990 -1.817 49.195 -4.285 1.00 0.00 H ATOM 130 HH12 ARG A 990 1.704 47.986 -2.613 1.00 0.00 H ATOM 131 HH11 ARG A 990 0.154 47.512 -1.828 1.00 0.00 H ATOM 132 HH22 ARG A 990 1.688 49.214 -4.544 1.00 0.00 H ATOM 133 HH21 ARG A 990 0.124 49.713 -5.283 1.00 0.00 H ATOM 134 H ARG A 990 -1.970 44.374 -4.462 1.00 0.00 H ATOM 135 N ILE A 991 -4.562 45.030 -6.608 1.00 21.01 N ATOM 136 CA ILE A 991 -5.494 44.978 -7.775 1.00 20.18 C ATOM 137 C ILE A 991 -6.442 43.794 -7.578 1.00 18.47 C ATOM 138 O ILE A 991 -7.660 43.976 -7.788 1.00 17.47 O ATOM 139 CB ILE A 991 -4.725 44.936 -9.106 1.00 21.15 C ATOM 140 CG1 ILE A 991 -3.994 46.268 -9.278 1.00 23.09 C ATOM 141 CG2 ILE A 991 -5.650 44.633 -10.292 1.00 23.56 C ATOM 142 CD1 ILE A 991 -2.884 46.281 -10.269 1.00 25.44 C ATOM 143 H ILE A 991 -3.536 45.001 -6.779 1.00 0.00 H ATOM 144 N PHE A 992 -5.881 42.649 -7.186 1.00 18.07 N ATOM 145 CA PHE A 992 -6.612 41.388 -7.016 1.00 19.06 C ATOM 146 C PHE A 992 -7.646 41.596 -5.913 1.00 18.58 C ATOM 147 O PHE A 992 -8.821 41.232 -6.045 1.00 19.01 O ATOM 148 CB PHE A 992 -5.644 40.266 -6.634 1.00 20.80 C ATOM 149 CG PHE A 992 -6.342 38.962 -6.381 1.00 22.46 C ATOM 150 CD1 PHE A 992 -6.983 38.311 -7.431 1.00 25.58 C ATOM 151 CD2 PHE A 992 -6.505 38.478 -5.100 1.00 25.93 C ATOM 152 CE1 PHE A 992 -7.649 37.119 -7.224 1.00 26.81 C ATOM 153 CE2 PHE A 992 -7.221 37.309 -4.878 1.00 28.35 C ATOM 154 CZ PHE A 992 -7.756 36.613 -5.942 1.00 29.73 C ATOM 155 H PHE A 992 -4.860 42.650 -6.988 1.00 0.00 H ATOM 156 N LEU A 993 -7.216 42.167 -4.800 1.00 20.03 N ATOM 157 CA LEU A 993 -8.144 42.270 -3.623 1.00 20.12 C ATOM 158 C LEU A 993 -9.263 43.268 -3.902 1.00 20.58 C ATOM 159 O LEU A 993 -10.412 43.007 -3.485 1.00 18.94 O ATOM 160 CB LEU A 993 -7.346 42.718 -2.409 1.00 20.31 C ATOM 161 CG LEU A 993 -6.334 41.680 -1.946 1.00 22.51 C ATOM 162 CD1 LEU A 993 -5.631 42.126 -0.696 1.00 22.81 C ATOM 163 CD2 LEU A 993 -7.019 40.327 -1.728 1.00 24.56 C ATOM 164 H LEU A 993 -6.247 42.540 -4.740 1.00 0.00 H ATOM 165 N ARG A 994 -8.924 44.369 -4.582 1.00 23.17 N ATOM 166 CA ARG A 994 -9.934 45.374 -4.975 1.00 23.97 C ATOM 167 C ARG A 994 -10.972 44.702 -5.853 1.00 21.01 C ATOM 168 O ARG A 994 -12.137 45.064 -5.734 1.00 21.41 O ATOM 169 CB ARG A 994 -9.358 46.533 -5.773 1.00 27.09 C ATOM 170 CG ARG A 994 -8.573 47.519 -4.942 1.00 28.68 C ATOM 171 CD ARG A 994 -8.337 48.826 -5.644 1.00 29.75 C ATOM 172 NE ARG A 994 -7.225 49.397 -4.921 1.00 32.04 N ATOM 173 CZ ARG A 994 -5.944 49.335 -5.256 1.00 31.69 C ATOM 174 NH1 ARG A 994 -5.548 48.802 -6.401 1.00 31.30 N ATOM 175 NH2 ARG A 994 -5.050 49.881 -4.442 1.00 34.61 N ATOM 176 HE ARG A 994 -7.453 49.911 -4.046 1.00 0.00 H ATOM 177 HH12 ARG A 994 -4.535 48.768 -6.636 1.00 0.00 H ATOM 178 HH11 ARG A 994 -6.249 48.417 -7.066 1.00 0.00 H ATOM 179 HH22 ARG A 994 -4.039 49.846 -4.682 1.00 0.00 H ATOM 180 HH21 ARG A 994 -5.361 50.344 -3.564 1.00 0.00 H ATOM 181 H ARG A 994 -7.928 44.521 -4.840 1.00 0.00 H ATOM 182 N ASN A 995 -10.553 43.776 -6.712 1.00 24.11 N ATOM 183 CA ASN A 995 -11.449 43.121 -7.696 1.00 24.81 C ATOM 184 C ASN A 995 -12.404 42.202 -6.936 1.00 23.93 C ATOM 185 O ASN A 995 -13.595 42.257 -7.183 1.00 21.69 O ATOM 186 CB ASN A 995 -10.656 42.356 -8.758 1.00 29.53 C ATOM 187 CG ASN A 995 -11.564 41.753 -9.824 1.00 30.40 C ATOM 188 OD1 ASN A 995 -11.907 40.568 -9.749 1.00 25.31 O ATOM 189 ND2 ASN A 995 -12.052 42.589 -10.737 1.00 29.12 N ATOM 190 HD22 ASN A 995 -11.732 43.578 -10.760 1.00 0.00 H ATOM 191 HD21 ASN A 995 -12.753 42.253 -11.428 1.00 0.00 H ATOM 192 H ASN A 995 -9.551 43.499 -6.692 1.00 0.00 H ATOM 193 N VAL A 996 -11.868 41.394 -6.017 1.00 23.59 N ATOM 194 CA VAL A 996 -12.685 40.457 -5.225 1.00 22.96 C ATOM 195 C VAL A 996 -13.672 41.346 -4.458 1.00 23.86 C ATOM 196 O VAL A 996 -14.906 41.060 -4.517 1.00 23.05 O ATOM 197 CB VAL A 996 -11.871 39.580 -4.260 1.00 23.08 C ATOM 198 CG1 VAL A 996 -12.786 38.688 -3.426 1.00 23.13 C ATOM 199 CG2 VAL A 996 -10.837 38.732 -4.981 1.00 24.13 C ATOM 200 H VAL A 996 -10.841 41.427 -5.855 1.00 0.00 H ATOM 201 N THR A 997 -13.165 42.418 -3.843 1.00 22.15 N ATOM 202 CA THR A 997 -13.999 43.224 -2.909 1.00 22.67 C ATOM 203 C THR A 997 -15.149 43.862 -3.688 1.00 25.00 C ATOM 204 O THR A 997 -16.315 43.829 -3.194 1.00 23.92 O ATOM 205 CB THR A 997 -13.104 44.125 -2.056 1.00 23.93 C ATOM 206 OG1 THR A 997 -12.117 43.305 -1.425 1.00 22.10 O ATOM 207 CG2 THR A 997 -13.841 44.846 -0.952 1.00 24.17 C ATOM 208 HG1 THR A 997 -11.578 42.847 -2.118 1.00 0.00 H ATOM 209 H THR A 997 -12.177 42.693 -4.018 1.00 0.00 H ATOM 210 N HIS A 998 -14.867 44.382 -4.883 1.00 23.82 N ATOM 211 CA HIS A 998 -15.871 45.021 -5.743 1.00 26.28 C ATOM 212 C HIS A 998 -16.974 44.015 -6.047 1.00 24.16 C ATOM 213 O HIS A 998 -18.153 44.380 -5.975 1.00 23.08 O ATOM 214 CB HIS A 998 -15.184 45.502 -7.031 1.00 28.03 C ATOM 215 CG HIS A 998 -16.090 46.145 -8.031 1.00 33.03 C ATOM 216 ND1 HIS A 998 -16.759 47.334 -7.784 1.00 37.73 N ATOM 217 CD2 HIS A 998 -16.345 45.839 -9.328 1.00 35.67 C ATOM 218 CE1 HIS A 998 -17.441 47.685 -8.856 1.00 38.27 C ATOM 219 NE2 HIS A 998 -17.214 46.771 -9.814 1.00 37.81 N ATOM 220 H HIS A 998 -13.886 44.332 -5.223 1.00 0.00 H ATOM 221 N ARG A 999 -16.594 42.784 -6.388 1.00 24.64 N ATOM 222 CA ARG A 999 -17.544 41.740 -6.837 1.00 23.47 C ATOM 223 C ARG A 999 -18.443 41.350 -5.682 1.00 23.20 C ATOM 224 O ARG A 999 -19.645 41.117 -5.908 1.00 25.17 O ATOM 225 CB ARG A 999 -16.822 40.547 -7.477 1.00 25.41 C ATOM 226 CG ARG A 999 -16.451 40.824 -8.934 1.00 26.70 C ATOM 227 CD ARG A 999 -15.180 40.085 -9.366 1.00 28.26 C ATOM 228 NE ARG A 999 -15.427 38.660 -9.563 1.00 26.28 N ATOM 229 CZ ARG A 999 -14.481 37.765 -9.730 1.00 26.32 C ATOM 230 NH1 ARG A 999 -13.214 38.118 -9.654 1.00 33.17 N ATOM 231 NH2 ARG A 999 -14.803 36.493 -9.852 1.00 24.97 N ATOM 232 HE ARG A 999 -16.414 38.333 -9.572 1.00 0.00 H ATOM 233 HH12 ARG A 999 -12.467 37.407 -9.787 1.00 0.00 H ATOM 234 HH11 ARG A 999 -12.961 39.108 -9.461 1.00 0.00 H ATOM 235 HH22 ARG A 999 -14.059 35.779 -9.985 1.00 0.00 H ATOM 236 HH21 ARG A 999 -15.801 36.203 -9.816 1.00 0.00 H ATOM 237 H ARG A 999 -15.583 42.545 -6.336 1.00 0.00 H ATOM 238 N LEU A1000 -17.928 41.460 -4.473 1.00 22.97 N ATOM 239 CA LEU A1000 -18.751 41.291 -3.271 1.00 21.69 C ATOM 240 C LEU A1000 -19.678 42.499 -3.135 1.00 24.73 C ATOM 241 O LEU A1000 -20.854 42.298 -2.927 1.00 25.05 O ATOM 242 CB LEU A1000 -17.821 41.096 -2.075 1.00 20.55 C ATOM 243 CG LEU A1000 -16.949 39.835 -2.120 1.00 21.18 C ATOM 244 CD1 LEU A1000 -15.995 39.754 -0.936 1.00 19.35 C ATOM 245 CD2 LEU A1000 -17.813 38.589 -2.186 1.00 20.91 C ATOM 246 H LEU A1000 -16.915 41.671 -4.370 1.00 0.00 H ATOM 247 N ALA A1001 -19.134 43.711 -3.198 1.00 25.43 N ATOM 248 CA ALA A1001 -19.865 44.941 -2.876 1.00 26.61 C ATOM 249 C ALA A1001 -21.012 45.158 -3.866 1.00 28.17 C ATOM 250 O ALA A1001 -21.972 45.750 -3.442 1.00 27.88 O ATOM 251 CB ALA A1001 -18.906 46.108 -2.830 1.00 26.32 C ATOM 252 H ALA A1001 -18.139 43.791 -3.491 1.00 0.00 H ATOM 253 N ILE A1002 -20.938 44.675 -5.111 1.00 29.56 N ATOM 254 CA ILE A1002 -22.036 44.897 -6.098 1.00 30.60 C ATOM 255 C ILE A1002 -23.116 43.811 -5.989 1.00 32.69 C ATOM 256 O ILE A1002 -24.203 44.025 -6.555 1.00 31.79 O ATOM 257 CB ILE A1002 -21.511 45.044 -7.540 1.00 34.87 C ATOM 258 CG1 ILE A1002 -20.875 43.759 -8.074 1.00 33.34 C ATOM 259 CG2 ILE A1002 -20.597 46.268 -7.629 1.00 35.44 C ATOM 260 CD1 ILE A1002 -20.484 43.803 -9.553 1.00 39.32 C ATOM 261 H ILE A1002 -20.098 44.133 -5.398 1.00 0.00 H ATOM 262 N ASP A1003 -22.875 42.709 -5.276 1.00 34.23 N ATOM 263 CA ASP A1003 -23.913 41.669 -5.057 1.00 34.50 C ATOM 264 C ASP A1003 -24.991 42.201 -4.101 1.00 35.66 C ATOM 265 O ASP A1003 -24.652 42.533 -2.945 1.00 32.85 O ATOM 266 CB ASP A1003 -23.270 40.384 -4.535 1.00 34.18 C ATOM 267 CG ASP A1003 -24.162 39.157 -4.638 1.00 33.66 C ATOM 268 OD1 ASP A1003 -25.333 39.220 -4.170 1.00 34.42 O ATOM 269 OD2 ASP A1003 -23.655 38.132 -5.109 1.00 31.83 O ATOM 270 H ASP A1003 -21.931 42.574 -4.861 1.00 0.00 H ATOM 271 N LYS A1004 -26.254 42.195 -4.543 1.00 38.62 N ATOM 272 CA LYS A1004 -27.422 42.749 -3.800 1.00 38.97 C ATOM 273 C LYS A1004 -27.557 42.064 -2.439 1.00 34.98 C ATOM 274 O LYS A1004 -27.978 42.722 -1.502 1.00 31.24 O ATOM 275 CB LYS A1004 -28.717 42.620 -4.611 1.00 44.30 C ATOM 276 CG LYS A1004 -28.766 43.510 -5.848 1.00 52.27 C ATOM 277 CD LYS A1004 -30.098 43.509 -6.581 1.00 63.48 C ATOM 278 CE LYS A1004 -30.077 44.334 -7.858 1.00 69.49 C ATOM 279 NZ LYS A1004 -31.219 44.025 -8.760 1.00 75.77 N ATOM 280 HZ1 LYS A1004 -31.185 43.021 -9.028 1.00 0.00 H ATOM 281 HZ2 LYS A1004 -32.113 44.224 -8.266 1.00 0.00 H ATOM 282 HZ3 LYS A1004 -31.154 44.615 -9.614 1.00 0.00 H ATOM 283 H LYS A1004 -26.435 41.772 -5.476 1.00 0.00 H ATOM 284 N ARG A1005 -27.168 40.801 -2.322 1.00 37.03 N ATOM 285 CA ARG A1005 -27.209 40.074 -1.028 1.00 31.14 C ATOM 286 C ARG A1005 -26.320 40.748 0.017 1.00 30.88 C ATOM 287 O ARG A1005 -26.687 40.583 1.178 1.00 25.73 O ATOM 288 CB ARG A1005 -26.757 38.626 -1.165 1.00 34.77 C ATOM 289 CG ARG A1005 -27.687 37.759 -1.999 1.00 36.60 C ATOM 290 CD ARG A1005 -27.017 36.417 -2.124 1.00 36.66 C ATOM 291 NE ARG A1005 -25.808 36.440 -2.932 1.00 37.37 N ATOM 292 CZ ARG A1005 -24.971 35.411 -3.080 1.00 40.44 C ATOM 293 NH1 ARG A1005 -25.197 34.272 -2.443 1.00 39.46 N ATOM 294 NH2 ARG A1005 -23.895 35.536 -3.846 1.00 41.93 N ATOM 295 HE ARG A1005 -25.579 37.323 -3.431 1.00 0.00 H ATOM 296 HH12 ARG A1005 -24.543 33.472 -2.560 1.00 0.00 H ATOM 297 HH11 ARG A1005 -26.028 34.178 -1.825 1.00 0.00 H ATOM 298 HH22 ARG A1005 -23.243 34.734 -3.961 1.00 0.00 H ATOM 299 HH21 ARG A1005 -23.704 36.436 -4.331 1.00 0.00 H ATOM 300 H ARG A1005 -26.822 40.302 -3.167 1.00 0.00 H ATOM 301 N PHE A1006 -25.230 41.452 -0.357 1.00 28.16 N ATOM 302 CA PHE A1006 -24.173 41.925 0.582 1.00 31.32 C ATOM 303 C PHE A1006 -24.221 43.451 0.814 1.00 32.72 C ATOM 304 O PHE A1006 -23.310 44.001 1.472 1.00 29.56 O ATOM 305 CB PHE A1006 -22.813 41.429 0.070 1.00 30.15 C ATOM 306 CG PHE A1006 -22.771 39.949 -0.218 1.00 28.39 C ATOM 307 CD1 PHE A1006 -23.396 39.044 0.623 1.00 25.17 C ATOM 308 CD2 PHE A1006 -22.127 39.453 -1.347 1.00 30.55 C ATOM 309 CE1 PHE A1006 -23.397 37.686 0.333 1.00 28.25 C ATOM 310 CE2 PHE A1006 -22.115 38.092 -1.631 1.00 32.31 C ATOM 311 CZ PHE A1006 -22.748 37.205 -0.788 1.00 30.73 C ATOM 312 H PHE A1006 -25.121 41.679 -1.366 1.00 0.00 H ATOM 313 N ARG A1007 -25.296 44.116 0.387 1.00 33.40 N ATOM 314 CA ARG A1007 -25.461 45.581 0.500 1.00 34.12 C ATOM 315 C ARG A1007 -25.287 46.030 1.960 1.00 36.45 C ATOM 316 O ARG A1007 -24.586 46.989 2.218 1.00 37.44 O ATOM 317 CB ARG A1007 -26.829 45.967 -0.045 1.00 37.68 C ATOM 318 CG ARG A1007 -27.263 47.355 0.381 1.00 44.62 C ATOM 319 CD ARG A1007 -28.349 47.909 -0.502 1.00 53.47 C ATOM 320 NE ARG A1007 -28.539 49.321 -0.201 1.00 64.84 N ATOM 321 CZ ARG A1007 -27.691 50.295 -0.542 1.00 71.64 C ATOM 322 NH1 ARG A1007 -26.582 50.016 -1.213 1.00 68.61 N ATOM 323 NH2 ARG A1007 -27.954 51.551 -0.208 1.00 74.22 N ATOM 324 HE ARG A1007 -29.399 49.591 0.318 1.00 0.00 H ATOM 325 HH12 ARG A1007 -25.927 50.780 -1.475 1.00 0.00 H ATOM 326 HH11 ARG A1007 -26.367 49.033 -1.477 1.00 0.00 H ATOM 327 HH22 ARG A1007 -27.293 52.309 -0.474 1.00 0.00 H ATOM 328 HH21 ARG A1007 -28.821 51.778 0.320 1.00 0.00 H ATOM 329 H ARG A1007 -26.065 43.571 -0.052 1.00 0.00 H ATOM 330 N VAL A1008 -25.866 45.319 2.907 1.00 38.58 N ATOM 331 CA VAL A1008 -25.777 45.698 4.344 1.00 37.27 C ATOM 332 C VAL A1008 -24.306 45.759 4.797 1.00 34.36 C ATOM 333 O VAL A1008 -23.941 46.673 5.602 1.00 30.14 O ATOM 334 CB VAL A1008 -26.622 44.719 5.164 1.00 39.87 C ATOM 335 CG1 VAL A1008 -26.003 43.335 5.224 1.00 39.37 C ATOM 336 CG2 VAL A1008 -26.900 45.262 6.554 1.00 46.24 C ATOM 337 H VAL A1008 -26.401 44.467 2.642 1.00 0.00 H ATOM 338 N PHE A1009 -23.441 44.913 4.244 1.00 30.88 N ATOM 339 CA PHE A1009 -22.007 44.886 4.633 1.00 28.68 C ATOM 340 C PHE A1009 -21.178 45.900 3.840 1.00 30.90 C ATOM 341 O PHE A1009 -19.948 45.918 4.038 1.00 33.93 O ATOM 342 CB PHE A1009 -21.417 43.488 4.505 1.00 27.08 C ATOM 343 CG PHE A1009 -22.322 42.391 4.979 1.00 26.49 C ATOM 344 CD1 PHE A1009 -22.563 42.200 6.332 1.00 28.66 C ATOM 345 CD2 PHE A1009 -22.835 41.477 4.091 1.00 24.77 C ATOM 346 CE1 PHE A1009 -23.437 41.207 6.762 1.00 27.66 C ATOM 347 CE2 PHE A1009 -23.667 40.455 4.513 1.00 24.88 C ATOM 348 CZ PHE A1009 -23.982 40.329 5.855 1.00 29.13 C ATOM 349 H PHE A1009 -23.779 44.250 3.517 1.00 0.00 H ATOM 350 N THR A1010 -21.764 46.773 3.019 1.00 31.79 N ATOM 351 CA THR A1010 -20.940 47.713 2.226 1.00 33.53 C ATOM 352 C THR A1010 -20.662 49.012 2.977 1.00 39.90 C ATOM 353 O THR A1010 -19.767 49.740 2.519 1.00 41.30 O ATOM 354 CB THR A1010 -21.557 48.006 0.862 1.00 33.72 C ATOM 355 OG1 THR A1010 -22.877 48.512 1.051 1.00 35.55 O ATOM 356 CG2 THR A1010 -21.574 46.753 0.024 1.00 34.13 C ATOM 357 HG1 THR A1010 -23.423 47.837 1.528 1.00 0.00 H ATOM 358 H THR A1010 -22.800 46.793 2.936 1.00 0.00 H ATOM 359 N LYS A1011 -21.343 49.270 4.091 1.00 38.89 N ATOM 360 CA LYS A1011 -21.228 50.550 4.834 1.00 44.84 C ATOM 361 C LYS A1011 -21.018 50.279 6.309 1.00 41.23 C ATOM 362 O LYS A1011 -21.518 49.297 6.830 1.00 36.28 O ATOM 363 CB LYS A1011 -22.498 51.406 4.736 1.00 53.01 C ATOM 364 CG LYS A1011 -22.708 52.072 3.386 1.00 60.20 C ATOM 365 CD LYS A1011 -21.489 52.834 2.891 1.00 66.13 C ATOM 366 CE LYS A1011 -21.138 52.503 1.456 1.00 66.79 C ATOM 367 NZ LYS A1011 -19.761 52.940 1.130 1.00 64.84 N ATOM 368 HZ1 LYS A1011 -19.684 53.969 1.263 1.00 0.00 H ATOM 369 HZ2 LYS A1011 -19.087 52.457 1.758 1.00 0.00 H ATOM 370 HZ3 LYS A1011 -19.548 52.700 0.141 1.00 0.00 H ATOM 371 H LYS A1011 -21.986 48.540 4.458 1.00 0.00 H ATOM 372 N PRO A1012 -20.302 51.168 7.027 1.00 45.15 N ATOM 373 CA PRO A1012 -20.234 51.073 8.480 1.00 45.74 C ATOM 374 C PRO A1012 -21.666 51.128 9.034 1.00 47.49 C ATOM 375 O PRO A1012 -22.519 51.719 8.391 1.00 45.28 O ATOM 376 CB PRO A1012 -19.400 52.295 8.898 1.00 47.00 C ATOM 377 CG PRO A1012 -18.655 52.703 7.640 1.00 47.37 C ATOM 378 CD PRO A1012 -19.553 52.310 6.484 1.00 44.65 C ATOM 379 N VAL A1013 -21.913 50.458 10.164 1.00 54.36 N ATOM 380 CA VAL A1013 -23.134 50.649 11.012 1.00 57.66 C ATOM 381 C VAL A1013 -23.155 52.108 11.504 1.00 66.29 C ATOM 382 O VAL A1013 -22.286 52.434 12.338 1.00 64.92 O ATOM 383 CB VAL A1013 -23.162 49.670 12.204 1.00 56.58 C ATOM 384 CG1 VAL A1013 -24.374 49.898 13.092 1.00 61.88 C ATOM 385 CG2 VAL A1013 -23.114 48.220 11.765 1.00 55.25 C ATOM 386 H VAL A1013 -21.211 49.757 10.476 1.00 0.00 H ATOM 387 N ASP A1014 -24.096 52.942 11.026 1.00 72.41 N ATOM 388 CA ASP A1014 -24.248 54.365 11.449 1.00 82.93 C ATOM 389 C ASP A1014 -24.316 54.430 12.974 1.00 85.78 C ATOM 390 O ASP A1014 -25.167 53.780 13.575 1.00 88.02 O ATOM 391 CB ASP A1014 -25.499 55.029 10.864 1.00 86.44 C ATOM 392 CG ASP A1014 -25.800 56.383 11.499 1.00 92.33 C ATOM 393 OD1 ASP A1014 -26.523 56.424 12.523 1.00 92.98 O ATOM 394 OD2 ASP A1014 -25.280 57.387 10.989 1.00 94.68 O ATOM 395 H ASP A1014 -24.760 52.571 10.316 1.00 0.00 H ATOM 396 N PRO A1015 -23.459 55.230 13.650 1.00 85.08 N ATOM 397 CA PRO A1015 -23.313 55.126 15.103 1.00 87.95 C ATOM 398 C PRO A1015 -24.519 55.648 15.906 1.00 86.57 C ATOM 399 O PRO A1015 -24.596 55.320 17.070 1.00 75.72 O ATOM 400 CB PRO A1015 -22.044 55.931 15.438 1.00 88.45 C ATOM 401 CG PRO A1015 -21.552 56.540 14.124 1.00 86.35 C ATOM 402 CD PRO A1015 -22.609 56.279 13.071 1.00 86.04 C ATOM 403 N ASP A1016 -25.424 56.406 15.270 1.00 94.23 N ATOM 404 CA ASP A1016 -26.676 56.935 15.881 1.00 95.25 C ATOM 405 C ASP A1016 -27.777 55.884 15.763 1.00 95.34 C ATOM 406 O ASP A1016 -28.244 55.393 16.808 1.00100.16 O ATOM 407 CB ASP A1016 -27.177 58.212 15.198 1.00 97.60 C ATOM 408 CG ASP A1016 -26.116 59.269 14.967 1.00 98.48 C ATOM 409 OD1 ASP A1016 -25.100 59.264 15.704 1.00 99.90 O ATOM 410 OD2 ASP A1016 -26.318 60.083 14.044 1.00 96.86 O ATOM 411 H ASP A1016 -25.238 56.643 14.275 1.00 0.00 H ATOM 412 N GLU A1017 -28.184 55.593 14.524 1.00 94.34 N ATOM 413 CA GLU A1017 -29.110 54.495 14.146 1.00 94.15 C ATOM 414 C GLU A1017 -28.897 53.300 15.082 1.00 89.33 C ATOM 415 O GLU A1017 -29.897 52.637 15.435 1.00 93.09 O ATOM 416 CB GLU A1017 -28.840 54.094 12.695 1.00 98.23 C ATOM 417 CG GLU A1017 -29.460 55.027 11.673 1.00103.75 C ATOM 418 CD GLU A1017 -30.486 54.351 10.779 1.00110.44 C ATOM 419 OE1 GLU A1017 -31.681 54.395 11.119 1.00111.81 O ATOM 420 OE2 GLU A1017 -30.080 53.778 9.745 1.00113.41 O ATOM 421 H GLU A1017 -27.819 56.190 13.754 1.00 0.00 H ATOM 422 N VAL A1018 -27.637 53.035 15.446 1.00 83.22 N ATOM 423 CA VAL A1018 -27.225 51.932 16.361 1.00 79.60 C ATOM 424 C VAL A1018 -26.094 52.422 17.256 1.00 80.03 C ATOM 425 O VAL A1018 -24.940 52.479 16.840 1.00 76.90 O ATOM 426 CB VAL A1018 -26.794 50.681 15.577 1.00 78.93 C ATOM 427 CG1 VAL A1018 -26.739 49.455 16.482 1.00 75.69 C ATOM 428 CG2 VAL A1018 -27.687 50.442 14.367 1.00 78.18 C ATOM 429 H VAL A1018 -26.888 53.645 15.061 1.00 0.00 H ATOM 430 N PRO A1019 -26.398 52.786 18.519 1.00 85.25 N ATOM 431 CA PRO A1019 -25.361 53.154 19.480 1.00 79.38 C ATOM 432 C PRO A1019 -24.694 51.930 20.127 1.00 76.27 C ATOM 433 O PRO A1019 -23.504 51.997 20.365 1.00 76.74 O ATOM 434 CB PRO A1019 -26.147 54.004 20.489 1.00 83.24 C ATOM 435 CG PRO A1019 -27.539 53.398 20.487 1.00 83.50 C ATOM 436 CD PRO A1019 -27.757 52.887 19.079 1.00 82.76 C ATOM 437 N ASP A1020 -25.443 50.845 20.364 1.00 80.17 N ATOM 438 CA ASP A1020 -24.921 49.635 21.063 1.00 83.95 C ATOM 439 C ASP A1020 -23.936 48.866 20.172 1.00 77.47 C ATOM 440 O ASP A1020 -23.140 48.081 20.749 1.00 69.75 O ATOM 441 CB ASP A1020 -26.026 48.689 21.536 1.00 89.99 C ATOM 442 CG ASP A1020 -26.950 48.217 20.430 1.00 95.86 C ATOM 443 OD1 ASP A1020 -27.321 49.061 19.584 1.00 96.88 O ATOM 444 OD2 ASP A1020 -27.289 47.011 20.430 1.00 99.91 O ATOM 445 H ASP A1020 -26.433 50.846 20.046 1.00 0.00 H ATOM 446 N TYR A1021 -23.961 49.057 18.844 1.00 69.09 N ATOM 447 CA TYR A1021 -23.015 48.348 17.941 1.00 67.19 C ATOM 448 C TYR A1021 -21.636 48.443 18.625 1.00 66.89 C ATOM 449 O TYR A1021 -21.083 47.407 19.129 1.00 62.39 O ATOM 450 CB TYR A1021 -23.037 48.894 16.504 1.00 66.07 C ATOM 451 CG TYR A1021 -22.438 47.938 15.498 1.00 64.48 C ATOM 452 CD1 TYR A1021 -23.048 46.714 15.249 1.00 60.24 C ATOM 453 CD2 TYR A1021 -21.249 48.218 14.831 1.00 59.12 C ATOM 454 CE1 TYR A1021 -22.502 45.800 14.365 1.00 55.82 C ATOM 455 CE2 TYR A1021 -20.684 47.308 13.947 1.00 55.10 C ATOM 456 CZ TYR A1021 -21.316 46.098 13.711 1.00 55.45 C ATOM 457 OH TYR A1021 -20.796 45.169 12.862 1.00 52.30 O ATOM 458 HH TYR A1021 -19.901 44.894 13.184 1.00 0.00 H ATOM 459 H TYR A1021 -24.657 49.715 18.437 1.00 0.00 H ATOM 460 N VAL A1022 -21.193 49.707 18.743 1.00 73.82 N ATOM 461 CA VAL A1022 -19.799 50.087 19.092 1.00 80.28 C ATOM 462 C VAL A1022 -19.234 49.129 20.152 1.00 81.82 C ATOM 463 O VAL A1022 -18.121 48.631 19.926 1.00 93.59 O ATOM 464 CB VAL A1022 -19.748 51.559 19.535 1.00 89.77 C ATOM 465 CG1 VAL A1022 -18.463 51.883 20.274 1.00 99.88 C ATOM 466 CG2 VAL A1022 -19.935 52.513 18.363 1.00 90.16 C ATOM 467 H VAL A1022 -21.875 50.474 18.578 1.00 0.00 H ATOM 468 N THR A1023 -19.949 48.876 21.256 1.00 75.31 N ATOM 469 CA THR A1023 -19.407 48.175 22.460 1.00 78.41 C ATOM 470 C THR A1023 -19.829 46.702 22.518 1.00 74.53 C ATOM 471 O THR A1023 -19.232 45.935 23.316 1.00 69.60 O ATOM 472 CB THR A1023 -19.864 48.818 23.777 1.00 86.49 C ATOM 473 OG1 THR A1023 -21.270 49.055 23.656 1.00 81.98 O ATOM 474 CG2 THR A1023 -19.095 50.078 24.125 1.00 85.15 C ATOM 475 HG1 THR A1023 -21.606 49.471 24.489 1.00 0.00 H ATOM 476 H THR A1023 -20.941 49.186 21.277 1.00 0.00 H ATOM 477 N VAL A1024 -20.839 46.306 21.752 1.00 69.91 N ATOM 478 CA VAL A1024 -21.089 44.856 21.535 1.00 69.35 C ATOM 479 C VAL A1024 -19.943 44.350 20.646 1.00 63.19 C ATOM 480 O VAL A1024 -19.220 43.443 21.098 1.00 69.69 O ATOM 481 CB VAL A1024 -22.488 44.571 20.963 1.00 69.95 C ATOM 482 CG1 VAL A1024 -22.728 43.077 20.839 1.00 71.84 C ATOM 483 CG2 VAL A1024 -23.589 45.199 21.807 1.00 75.44 C ATOM 484 H VAL A1024 -21.457 47.012 21.303 1.00 0.00 H ATOM 485 N ILE A1025 -19.715 44.992 19.495 1.00 52.28 N ATOM 486 CA ILE A1025 -18.647 44.609 18.517 1.00 50.85 C ATOM 487 C ILE A1025 -17.365 45.360 18.878 1.00 51.49 C ATOM 488 O ILE A1025 -17.342 46.590 18.701 1.00 55.50 O ATOM 489 CB ILE A1025 -19.098 44.863 17.055 1.00 48.09 C ATOM 490 CG1 ILE A1025 -20.417 44.149 16.763 1.00 46.05 C ATOM 491 CG2 ILE A1025 -18.042 44.456 16.027 1.00 45.34 C ATOM 492 CD1 ILE A1025 -20.367 42.681 17.078 1.00 43.97 C ATOM 493 H ILE A1025 -20.317 45.808 19.265 1.00 0.00 H ATOM 494 N LYS A1026 -16.332 44.636 19.318 1.00 49.80 N ATOM 495 CA LYS A1026 -15.010 45.230 19.658 1.00 55.77 C ATOM 496 C LYS A1026 -14.352 45.788 18.396 1.00 53.17 C ATOM 497 O LYS A1026 -13.990 46.970 18.451 1.00 53.14 O ATOM 498 CB LYS A1026 -14.068 44.263 20.392 1.00 65.64 C ATOM 499 CG LYS A1026 -13.871 42.870 19.797 1.00 67.39 C ATOM 500 CD LYS A1026 -12.419 42.383 19.789 1.00 73.59 C ATOM 501 CE LYS A1026 -11.688 42.583 21.104 1.00 77.83 C ATOM 502 NZ LYS A1026 -10.540 41.651 21.242 1.00 83.10 N ATOM 503 HZ1 LYS A1026 -10.885 40.670 21.204 1.00 0.00 H ATOM 504 HZ2 LYS A1026 -9.868 41.814 20.465 1.00 0.00 H ATOM 505 HZ3 LYS A1026 -10.066 41.819 22.153 1.00 0.00 H ATOM 506 H LYS A1026 -16.457 43.609 19.428 1.00 0.00 H ATOM 507 N GLN A1027 -14.225 45.002 17.303 1.00 49.48 N ATOM 508 CA GLN A1027 -13.559 45.440 16.053 1.00 41.97 C ATOM 509 C GLN A1027 -14.589 45.482 14.942 1.00 42.58 C ATOM 510 O GLN A1027 -14.756 44.505 14.228 1.00 39.87 O ATOM 511 CB GLN A1027 -12.421 44.494 15.680 1.00 39.88 C ATOM 512 CG GLN A1027 -11.492 45.116 14.661 1.00 36.31 C ATOM 513 CD GLN A1027 -10.242 44.322 14.408 1.00 33.74 C ATOM 514 OE1 GLN A1027 -9.386 44.768 13.667 1.00 30.07 O ATOM 515 NE2 GLN A1027 -10.139 43.139 14.993 1.00 34.70 N ATOM 516 HE22 GLN A1027 -10.898 42.801 15.619 1.00 0.00 H ATOM 517 HE21 GLN A1027 -9.299 42.548 14.827 1.00 0.00 H ATOM 518 H GLN A1027 -14.615 44.039 17.341 1.00 0.00 H ATOM 519 N PRO A1028 -15.324 46.591 14.798 1.00 45.39 N ATOM 520 CA PRO A1028 -16.210 46.760 13.657 1.00 42.60 C ATOM 521 C PRO A1028 -15.434 46.509 12.364 1.00 38.75 C ATOM 522 O PRO A1028 -14.228 46.633 12.412 1.00 35.32 O ATOM 523 CB PRO A1028 -16.657 48.211 13.781 1.00 47.31 C ATOM 524 CG PRO A1028 -16.651 48.433 15.285 1.00 48.65 C ATOM 525 CD PRO A1028 -15.425 47.692 15.762 1.00 48.71 C ATOM 526 N MET A1029 -16.136 46.121 11.290 1.00 33.41 N ATOM 527 CA MET A1029 -15.500 45.961 9.955 1.00 34.26 C ATOM 528 C MET A1029 -16.595 45.806 8.902 1.00 33.56 C ATOM 529 O MET A1029 -17.657 45.146 9.213 1.00 31.71 O ATOM 530 CB MET A1029 -14.579 44.739 9.927 1.00 36.09 C ATOM 531 CG MET A1029 -13.875 44.485 8.549 1.00 35.37 C ATOM 532 SD MET A1029 -12.697 45.806 8.103 1.00 41.04 S ATOM 533 CE MET A1029 -11.717 45.845 9.604 1.00 38.68 C ATOM 534 H MET A1029 -17.152 45.927 11.393 1.00 0.00 H ATOM 535 N ASP A1030 -16.325 46.371 7.720 1.00 31.54 N ATOM 536 CA ASP A1030 -17.253 46.386 6.566 1.00 33.64 C ATOM 537 C ASP A1030 -16.465 46.465 5.249 1.00 28.57 C ATOM 538 O ASP A1030 -15.295 46.766 5.286 1.00 28.54 O ATOM 539 CB ASP A1030 -18.255 47.529 6.739 1.00 37.01 C ATOM 540 CG ASP A1030 -17.669 48.907 6.499 1.00 45.66 C ATOM 541 OD1 ASP A1030 -17.016 49.478 7.465 1.00 46.18 O ATOM 542 OD2 ASP A1030 -17.889 49.415 5.356 1.00 40.60 O ATOM 543 H ASP A1030 -15.400 46.831 7.603 1.00 0.00 H ATOM 544 N LEU A1031 -17.117 46.277 4.106 1.00 29.03 N ATOM 545 CA LEU A1031 -16.404 46.230 2.801 1.00 27.34 C ATOM 546 C LEU A1031 -15.805 47.598 2.442 1.00 30.63 C ATOM 547 O LEU A1031 -14.824 47.643 1.694 1.00 26.83 O ATOM 548 CB LEU A1031 -17.357 45.767 1.709 1.00 27.95 C ATOM 549 CG LEU A1031 -17.910 44.353 1.861 1.00 25.68 C ATOM 550 CD1 LEU A1031 -18.884 44.050 0.738 1.00 24.40 C ATOM 551 CD2 LEU A1031 -16.787 43.320 1.910 1.00 25.97 C ATOM 552 H LEU A1031 -18.150 46.160 4.124 1.00 0.00 H ATOM 553 N SER A1032 -16.385 48.700 2.904 1.00 35.90 N ATOM 554 CA SER A1032 -15.815 50.051 2.657 1.00 37.29 C ATOM 555 C SER A1032 -14.470 50.162 3.367 1.00 36.34 C ATOM 556 O SER A1032 -13.541 50.692 2.748 1.00 38.83 O ATOM 557 CB SER A1032 -16.756 51.150 3.097 1.00 37.20 C ATOM 558 OG SER A1032 -16.952 51.119 4.500 1.00 34.02 O ATOM 559 HG SER A1032 -17.340 50.246 4.759 1.00 0.00 H ATOM 560 H SER A1032 -17.263 48.616 3.454 1.00 0.00 H ATOM 561 N SER A1033 -14.395 49.666 4.606 1.00 34.74 N ATOM 562 CA SER A1033 -13.181 49.675 5.454 1.00 36.42 C ATOM 563 C SER A1033 -12.136 48.797 4.777 1.00 31.31 C ATOM 564 O SER A1033 -10.976 49.200 4.694 1.00 30.65 O ATOM 565 CB SER A1033 -13.443 49.199 6.856 1.00 36.86 C ATOM 566 OG SER A1033 -14.523 49.909 7.405 1.00 40.27 O ATOM 567 HG SER A1033 -15.330 49.760 6.852 1.00 0.00 H ATOM 568 H SER A1033 -15.256 49.241 5.005 1.00 0.00 H ATOM 569 N VAL A1034 -12.570 47.630 4.327 1.00 32.40 N ATOM 570 CA VAL A1034 -11.726 46.694 3.546 1.00 31.65 C ATOM 571 C VAL A1034 -11.112 47.435 2.362 1.00 26.71 C ATOM 572 O VAL A1034 -9.893 47.328 2.202 1.00 27.14 O ATOM 573 CB VAL A1034 -12.518 45.461 3.094 1.00 32.75 C ATOM 574 CG1 VAL A1034 -11.673 44.570 2.211 1.00 31.65 C ATOM 575 CG2 VAL A1034 -13.043 44.695 4.294 1.00 33.09 C ATOM 576 H VAL A1034 -13.552 47.356 4.532 1.00 0.00 H ATOM 577 N ILE A1035 -11.891 48.158 1.562 1.00 28.98 N ATOM 578 CA ILE A1035 -11.345 48.901 0.385 1.00 29.50 C ATOM 579 C ILE A1035 -10.357 49.990 0.846 1.00 31.02 C ATOM 580 O ILE A1035 -9.295 50.134 0.229 1.00 28.88 O ATOM 581 CB ILE A1035 -12.462 49.499 -0.474 1.00 35.31 C ATOM 582 CG1 ILE A1035 -13.114 48.434 -1.358 1.00 40.15 C ATOM 583 CG2 ILE A1035 -11.942 50.656 -1.312 1.00 36.85 C ATOM 584 CD1 ILE A1035 -14.613 48.534 -1.367 1.00 43.68 C ATOM 585 H ILE A1035 -12.911 48.208 1.761 1.00 0.00 H ATOM 586 N SER A1036 -10.674 50.764 1.882 1.00 29.45 N ATOM 587 CA SER A1036 -9.721 51.756 2.445 1.00 30.64 C ATOM 588 C SER A1036 -8.445 51.046 2.916 1.00 28.07 C ATOM 589 O SER A1036 -7.389 51.571 2.647 1.00 31.88 O ATOM 590 CB SER A1036 -10.335 52.581 3.558 1.00 35.41 C ATOM 591 OG SER A1036 -11.643 53.012 3.201 1.00 37.66 O ATOM 592 HG SER A1036 -12.216 52.222 3.034 1.00 0.00 H ATOM 593 H SER A1036 -11.617 50.672 2.310 1.00 0.00 H ATOM 594 N LYS A1037 -8.529 49.884 3.568 1.00 27.65 N ATOM 595 CA LYS A1037 -7.315 49.211 4.088 1.00 27.51 C ATOM 596 C LYS A1037 -6.454 48.738 2.917 1.00 26.33 C ATOM 597 O LYS A1037 -5.204 48.813 3.023 1.00 27.17 O ATOM 598 CB LYS A1037 -7.618 48.068 5.043 1.00 29.22 C ATOM 599 CG LYS A1037 -8.268 48.531 6.349 1.00 34.63 C ATOM 600 CD LYS A1037 -8.475 47.445 7.392 1.00 35.70 C ATOM 601 CE LYS A1037 -7.197 46.773 7.844 1.00 35.64 C ATOM 602 NZ LYS A1037 -7.467 45.687 8.817 1.00 35.29 N ATOM 603 HZ1 LYS A1037 -7.944 46.082 9.652 1.00 0.00 H ATOM 604 HZ2 LYS A1037 -8.077 44.970 8.374 1.00 0.00 H ATOM 605 HZ3 LYS A1037 -6.568 45.249 9.104 1.00 0.00 H ATOM 606 H LYS A1037 -9.460 49.444 3.713 1.00 0.00 H ATOM 607 N ILE A1038 -7.076 48.284 1.847 1.00 24.55 N ATOM 608 CA ILE A1038 -6.310 47.869 0.624 1.00 23.39 C ATOM 609 C ILE A1038 -5.429 49.020 0.163 1.00 23.51 C ATOM 610 O ILE A1038 -4.217 48.841 0.030 1.00 25.45 O ATOM 611 CB ILE A1038 -7.222 47.376 -0.506 1.00 22.60 C ATOM 612 CG1 ILE A1038 -7.834 46.014 -0.167 1.00 21.74 C ATOM 613 CG2 ILE A1038 -6.384 47.288 -1.802 1.00 23.48 C ATOM 614 CD1 ILE A1038 -9.113 45.703 -0.902 1.00 24.08 C ATOM 615 H ILE A1038 -8.114 48.212 1.850 1.00 0.00 H ATOM 616 N ASP A1039 -6.061 50.154 -0.066 1.00 27.30 N ATOM 617 CA ASP A1039 -5.462 51.407 -0.570 1.00 31.96 C ATOM 618 C ASP A1039 -4.373 51.944 0.361 1.00 31.67 C ATOM 619 O ASP A1039 -3.394 52.495 -0.143 1.00 29.78 O ATOM 620 CB ASP A1039 -6.583 52.420 -0.807 1.00 36.90 C ATOM 621 CG ASP A1039 -7.488 52.061 -1.972 1.00 39.40 C ATOM 622 OD1 ASP A1039 -7.163 51.104 -2.692 1.00 40.84 O ATOM 623 OD2 ASP A1039 -8.525 52.734 -2.134 1.00 41.54 O ATOM 624 H ASP A1039 -7.083 50.168 0.127 1.00 0.00 H ATOM 625 N LEU A1040 -4.525 51.768 1.673 1.00 34.41 N ATOM 626 CA LEU A1040 -3.515 52.164 2.685 1.00 32.03 C ATOM 627 C LEU A1040 -2.440 51.081 2.849 1.00 34.71 C ATOM 628 O LEU A1040 -1.590 51.243 3.732 1.00 33.92 O ATOM 629 CB LEU A1040 -4.222 52.437 4.009 1.00 32.20 C ATOM 630 CG LEU A1040 -5.090 53.685 4.022 1.00 35.23 C ATOM 631 CD1 LEU A1040 -5.968 53.693 5.255 1.00 37.27 C ATOM 632 CD2 LEU A1040 -4.233 54.938 3.973 1.00 35.36 C ATOM 633 H LEU A1040 -5.405 51.326 2.008 1.00 0.00 H ATOM 634 N HIS A1041 -2.426 50.054 1.991 1.00 33.28 N ATOM 635 CA HIS A1041 -1.372 49.001 1.928 1.00 32.38 C ATOM 636 C HIS A1041 -1.360 48.180 3.218 1.00 31.49 C ATOM 637 O HIS A1041 -0.311 47.685 3.577 1.00 37.80 O ATOM 638 CB HIS A1041 0.014 49.587 1.610 1.00 35.91 C ATOM 639 CG HIS A1041 0.109 50.310 0.301 1.00 34.96 C ATOM 640 ND1 HIS A1041 1.310 50.696 -0.229 1.00 33.86 N ATOM 641 CD2 HIS A1041 -0.833 50.761 -0.552 1.00 35.12 C ATOM 642 CE1 HIS A1041 1.110 51.381 -1.333 1.00 36.27 C ATOM 643 NE2 HIS A1041 -0.189 51.428 -1.563 1.00 34.55 N ATOM 644 H HIS A1041 -3.213 49.985 1.314 1.00 0.00 H ATOM 645 N LYS A1042 -2.503 47.974 3.860 1.00 32.87 N ATOM 646 CA LYS A1042 -2.549 47.229 5.143 1.00 34.20 C ATOM 647 C LYS A1042 -2.513 45.726 4.879 1.00 31.84 C ATOM 648 O LYS A1042 -2.404 44.960 5.855 1.00 31.12 O ATOM 649 CB LYS A1042 -3.818 47.571 5.918 1.00 36.76 C ATOM 650 CG LYS A1042 -3.969 49.033 6.292 1.00 41.66 C ATOM 651 CD LYS A1042 -3.042 49.461 7.396 1.00 45.04 C ATOM 652 CE LYS A1042 -3.607 50.597 8.217 1.00 48.85 C ATOM 653 NZ LYS A1042 -2.742 50.888 9.380 1.00 53.04 N ATOM 654 HZ1 LYS A1042 -2.675 50.042 9.981 1.00 0.00 H ATOM 655 HZ2 LYS A1042 -1.794 51.155 9.047 1.00 0.00 H ATOM 656 HZ3 LYS A1042 -3.152 51.672 9.928 1.00 0.00 H ATOM 657 H LYS A1042 -3.387 48.343 3.455 1.00 0.00 H ATOM 658 N TYR A1043 -2.747 45.270 3.644 1.00 27.94 N ATOM 659 CA TYR A1043 -2.857 43.815 3.395 1.00 29.12 C ATOM 660 C TYR A1043 -1.628 43.409 2.585 1.00 33.11 C ATOM 661 O TYR A1043 -1.507 43.880 1.450 1.00 31.25 O ATOM 662 CB TYR A1043 -4.129 43.440 2.631 1.00 30.57 C ATOM 663 CG TYR A1043 -5.430 43.756 3.319 1.00 28.14 C ATOM 664 CD1 TYR A1043 -5.702 43.276 4.581 1.00 29.61 C ATOM 665 CD2 TYR A1043 -6.396 44.533 2.696 1.00 26.21 C ATOM 666 CE1 TYR A1043 -6.899 43.558 5.220 1.00 30.38 C ATOM 667 CE2 TYR A1043 -7.592 44.838 3.324 1.00 25.91 C ATOM 668 CZ TYR A1043 -7.859 44.315 4.572 1.00 28.45 C ATOM 669 OH TYR A1043 -9.040 44.585 5.195 1.00 27.01 O ATOM 670 HH TYR A1043 -9.059 44.131 6.074 1.00 0.00 H ATOM 671 H TYR A1043 -2.852 45.940 2.856 1.00 0.00 H ATOM 672 N LEU A1044 -0.755 42.582 3.159 1.00 31.04 N ATOM 673 CA LEU A1044 0.467 42.122 2.457 1.00 36.71 C ATOM 674 C LEU A1044 0.273 40.705 1.940 1.00 34.66 C ATOM 675 O LEU A1044 1.130 40.269 1.165 1.00 29.99 O ATOM 676 CB LEU A1044 1.674 42.228 3.400 1.00 41.64 C ATOM 677 CG LEU A1044 2.185 43.652 3.622 1.00 41.82 C ATOM 678 CD1 LEU A1044 3.647 43.641 4.059 1.00 45.91 C ATOM 679 CD2 LEU A1044 2.018 44.490 2.353 1.00 39.23 C ATOM 680 H LEU A1044 -0.936 42.250 4.128 1.00 0.00 H ATOM 681 N THR A1045 -0.809 40.041 2.362 1.00 29.72 N ATOM 682 CA THR A1045 -1.140 38.654 1.975 1.00 25.44 C ATOM 683 C THR A1045 -2.654 38.568 1.821 1.00 26.38 C ATOM 684 O THR A1045 -3.381 39.411 2.406 1.00 30.31 O ATOM 685 CB THR A1045 -0.610 37.645 3.001 1.00 26.14 C ATOM 686 OG1 THR A1045 -1.293 37.853 4.237 1.00 28.97 O ATOM 687 CG2 THR A1045 0.892 37.740 3.202 1.00 25.81 C ATOM 688 HG1 THR A1045 -0.960 37.207 4.909 1.00 0.00 H ATOM 689 H THR A1045 -1.461 40.534 3.005 1.00 0.00 H ATOM 690 N VAL A1046 -3.111 37.575 1.088 1.00 25.32 N ATOM 691 CA VAL A1046 -4.549 37.254 0.954 1.00 25.38 C ATOM 692 C VAL A1046 -4.984 36.713 2.311 1.00 26.90 C ATOM 693 O VAL A1046 -6.137 36.951 2.731 1.00 26.74 O ATOM 694 CB VAL A1046 -4.820 36.242 -0.156 1.00 22.87 C ATOM 695 CG1 VAL A1046 -6.283 35.866 -0.155 1.00 22.09 C ATOM 696 CG2 VAL A1046 -4.369 36.775 -1.531 1.00 23.40 C ATOM 697 H VAL A1046 -2.425 36.985 0.576 1.00 0.00 H ATOM 698 N LYS A1047 -4.109 35.976 2.953 1.00 30.04 N ATOM 699 CA LYS A1047 -4.399 35.508 4.329 1.00 36.39 C ATOM 700 C LYS A1047 -4.916 36.699 5.160 1.00 34.15 C ATOM 701 O LYS A1047 -5.953 36.550 5.838 1.00 37.92 O ATOM 702 CB LYS A1047 -3.182 34.793 4.907 1.00 42.50 C ATOM 703 CG LYS A1047 -3.469 33.965 6.151 1.00 51.64 C ATOM 704 CD LYS A1047 -2.219 33.370 6.764 1.00 62.08 C ATOM 705 CE LYS A1047 -2.503 32.255 7.755 1.00 69.97 C ATOM 706 NZ LYS A1047 -1.355 31.318 7.869 1.00 74.50 N ATOM 707 HZ1 LYS A1047 -1.164 30.891 6.940 1.00 0.00 H ATOM 708 HZ2 LYS A1047 -0.515 31.839 8.192 1.00 0.00 H ATOM 709 HZ3 LYS A1047 -1.586 30.571 8.554 1.00 0.00 H ATOM 710 H LYS A1047 -3.211 35.720 2.496 1.00 0.00 H ATOM 711 N ASP A1048 -4.241 37.841 5.136 1.00 32.08 N ATOM 712 CA ASP A1048 -4.595 38.996 6.008 1.00 29.92 C ATOM 713 C ASP A1048 -5.969 39.557 5.613 1.00 27.25 C ATOM 714 O ASP A1048 -6.792 39.902 6.482 1.00 24.33 O ATOM 715 CB ASP A1048 -3.512 40.065 5.949 1.00 33.52 C ATOM 716 CG ASP A1048 -2.123 39.540 6.381 1.00 40.87 C ATOM 717 OD1 ASP A1048 -2.036 38.373 6.828 1.00 44.39 O ATOM 718 OD2 ASP A1048 -1.149 40.280 6.223 1.00 46.53 O ATOM 719 H ASP A1048 -3.435 37.933 4.485 1.00 0.00 H ATOM 720 N TYR A1049 -6.221 39.659 4.323 1.00 22.94 N ATOM 721 CA TYR A1049 -7.498 40.145 3.764 1.00 23.13 C ATOM 722 C TYR A1049 -8.653 39.239 4.198 1.00 23.83 C ATOM 723 O TYR A1049 -9.696 39.752 4.633 1.00 23.26 O ATOM 724 CB TYR A1049 -7.351 40.164 2.235 1.00 23.23 C ATOM 725 CG TYR A1049 -8.640 40.367 1.488 1.00 22.31 C ATOM 726 CD1 TYR A1049 -9.428 39.290 1.120 1.00 24.81 C ATOM 727 CD2 TYR A1049 -9.070 41.643 1.159 1.00 22.03 C ATOM 728 CE1 TYR A1049 -10.580 39.471 0.381 1.00 23.40 C ATOM 729 CE2 TYR A1049 -10.280 41.850 0.521 1.00 22.48 C ATOM 730 CZ TYR A1049 -11.023 40.755 0.101 1.00 24.02 C ATOM 731 OH TYR A1049 -12.168 40.938 -0.614 1.00 22.51 O ATOM 732 HH TYR A1049 -11.958 41.420 -1.453 1.00 0.00 H ATOM 733 H TYR A1049 -5.473 39.379 3.657 1.00 0.00 H ATOM 734 N LEU A1050 -8.492 37.918 4.059 1.00 24.90 N ATOM 735 CA LEU A1050 -9.548 36.942 4.438 1.00 26.89 C ATOM 736 C LEU A1050 -9.780 37.027 5.961 1.00 31.36 C ATOM 737 O LEU A1050 -10.920 36.670 6.442 1.00 28.43 O ATOM 738 CB LEU A1050 -9.125 35.533 4.012 1.00 28.43 C ATOM 739 CG LEU A1050 -9.215 35.256 2.510 1.00 32.56 C ATOM 740 CD1 LEU A1050 -8.690 33.866 2.187 1.00 32.77 C ATOM 741 CD2 LEU A1050 -10.658 35.373 2.003 1.00 32.80 C ATOM 742 H LEU A1050 -7.595 37.561 3.672 1.00 0.00 H ATOM 743 N ARG A1051 -8.804 37.526 6.723 1.00 30.24 N ATOM 744 CA ARG A1051 -9.023 37.643 8.184 1.00 32.89 C ATOM 745 C ARG A1051 -10.110 38.697 8.408 1.00 30.11 C ATOM 746 O ARG A1051 -11.059 38.385 9.113 1.00 30.11 O ATOM 747 CB ARG A1051 -7.719 37.874 8.956 1.00 39.92 C ATOM 748 CG ARG A1051 -7.635 37.056 10.240 1.00 49.88 C ATOM 749 CD ARG A1051 -6.319 37.178 10.976 1.00 59.10 C ATOM 750 NE ARG A1051 -5.307 36.306 10.388 1.00 69.67 N ATOM 751 CZ ARG A1051 -4.183 36.714 9.791 1.00 76.63 C ATOM 752 NH1 ARG A1051 -3.894 38.006 9.707 1.00 80.15 N ATOM 753 NH2 ARG A1051 -3.338 35.819 9.297 1.00 75.54 N ATOM 754 HE ARG A1051 -5.475 35.281 10.438 1.00 0.00 H ATOM 755 HH12 ARG A1051 -3.017 38.313 9.240 1.00 0.00 H ATOM 756 HH11 ARG A1051 -4.545 38.712 10.108 1.00 0.00 H ATOM 757 HH22 ARG A1051 -2.462 36.132 8.832 1.00 0.00 H ATOM 758 HH21 ARG A1051 -3.551 34.804 9.375 1.00 0.00 H ATOM 759 H ARG A1051 -7.904 37.828 6.298 1.00 0.00 H ATOM 760 N ASP A1052 -10.037 39.841 7.739 1.00 28.56 N ATOM 761 CA ASP A1052 -11.085 40.898 7.763 1.00 30.16 C ATOM 762 C ASP A1052 -12.449 40.375 7.255 1.00 28.41 C ATOM 763 O ASP A1052 -13.496 40.751 7.820 1.00 27.77 O ATOM 764 CB ASP A1052 -10.550 42.144 7.032 1.00 32.31 C ATOM 765 CG ASP A1052 -9.723 43.063 7.936 1.00 36.37 C ATOM 766 OD1 ASP A1052 -9.779 42.870 9.141 1.00 36.76 O ATOM 767 OD2 ASP A1052 -9.101 44.011 7.447 1.00 33.92 O ATOM 768 H ASP A1052 -9.191 40.010 7.159 1.00 0.00 H ATOM 769 N ILE A1053 -12.485 39.531 6.231 1.00 27.76 N ATOM 770 CA ILE A1053 -13.781 39.007 5.712 1.00 25.98 C ATOM 771 C ILE A1053 -14.396 38.108 6.784 1.00 25.90 C ATOM 772 O ILE A1053 -15.631 38.138 6.968 1.00 24.96 O ATOM 773 CB ILE A1053 -13.605 38.256 4.374 1.00 26.18 C ATOM 774 CG1 ILE A1053 -12.915 39.104 3.307 1.00 26.45 C ATOM 775 CG2 ILE A1053 -14.958 37.748 3.890 1.00 27.18 C ATOM 776 CD1 ILE A1053 -13.684 40.360 2.929 1.00 29.05 C ATOM 777 H ILE A1053 -11.595 39.231 5.784 1.00 0.00 H ATOM 778 N ASP A1054 -13.574 37.257 7.385 1.00 27.59 N ATOM 779 CA ASP A1054 -13.965 36.399 8.531 1.00 34.28 C ATOM 780 C ASP A1054 -14.535 37.292 9.639 1.00 32.52 C ATOM 781 O ASP A1054 -15.555 36.948 10.228 1.00 35.77 O ATOM 782 CB ASP A1054 -12.795 35.564 9.053 1.00 37.24 C ATOM 783 CG ASP A1054 -12.347 34.468 8.103 1.00 40.40 C ATOM 784 OD1 ASP A1054 -12.927 34.360 7.027 1.00 50.44 O ATOM 785 OD2 ASP A1054 -11.402 33.745 8.444 1.00 41.47 O ATOM 786 H ASP A1054 -12.598 37.187 7.032 1.00 0.00 H ATOM 787 N LEU A1055 -13.905 38.430 9.874 1.00 31.76 N ATOM 788 CA LEU A1055 -14.355 39.395 10.903 1.00 31.49 C ATOM 789 C LEU A1055 -15.742 39.945 10.534 1.00 33.27 C ATOM 790 O LEU A1055 -16.564 40.053 11.464 1.00 31.08 O ATOM 791 CB LEU A1055 -13.310 40.501 11.022 1.00 33.48 C ATOM 792 CG LEU A1055 -13.625 41.633 11.988 1.00 35.83 C ATOM 793 CD1 LEU A1055 -13.787 41.079 13.403 1.00 38.20 C ATOM 794 CD2 LEU A1055 -12.544 42.708 11.913 1.00 38.44 C ATOM 795 H LEU A1055 -13.059 38.657 9.313 1.00 0.00 H ATOM 796 N ILE A1056 -16.033 40.254 9.245 1.00 29.80 N ATOM 797 CA ILE A1056 -17.361 40.829 8.881 1.00 30.07 C ATOM 798 C ILE A1056 -18.403 39.770 9.189 1.00 30.19 C ATOM 799 O ILE A1056 -19.463 40.098 9.775 1.00 31.62 O ATOM 800 CB ILE A1056 -17.475 41.264 7.405 1.00 30.80 C ATOM 801 CG1 ILE A1056 -16.467 42.350 7.034 1.00 29.41 C ATOM 802 CG2 ILE A1056 -18.911 41.690 7.122 1.00 29.27 C ATOM 803 CD1 ILE A1056 -16.422 42.666 5.544 1.00 28.38 C ATOM 804 H ILE A1056 -15.323 40.088 8.503 1.00 0.00 H ATOM 805 N CYS A1057 -18.099 38.535 8.800 1.00 30.66 N ATOM 806 CA CYS A1057 -18.991 37.377 9.028 1.00 31.78 C ATOM 807 C CYS A1057 -19.182 37.156 10.540 1.00 32.58 C ATOM 808 O CYS A1057 -20.331 37.000 10.981 1.00 28.33 O ATOM 809 CB CYS A1057 -18.473 36.133 8.328 1.00 32.57 C ATOM 810 SG CYS A1057 -19.584 34.705 8.486 1.00 40.67 S ATOM 811 H CYS A1057 -17.194 38.376 8.314 1.00 0.00 H ATOM 812 N SER A1058 -18.106 37.113 11.324 1.00 33.59 N ATOM 813 CA SER A1058 -18.190 36.684 12.742 1.00 33.39 C ATOM 814 C SER A1058 -18.987 37.711 13.557 1.00 30.26 C ATOM 815 O SER A1058 -19.867 37.273 14.329 1.00 33.63 O ATOM 816 CB SER A1058 -16.825 36.446 13.336 1.00 39.56 C ATOM 817 OG SER A1058 -16.019 37.614 13.244 1.00 42.88 O ATOM 818 HG SER A1058 -16.455 38.354 13.736 1.00 0.00 H ATOM 819 H SER A1058 -17.183 37.387 10.932 1.00 0.00 H ATOM 820 N ASN A1059 -18.656 38.989 13.386 1.00 27.99 N ATOM 821 CA ASN A1059 -19.388 40.216 13.806 1.00 29.70 C ATOM 822 C ASN A1059 -20.885 40.091 13.513 1.00 30.93 C ATOM 823 O ASN A1059 -21.713 40.335 14.431 1.00 29.40 O ATOM 824 CB ASN A1059 -18.882 41.486 13.099 1.00 29.59 C ATOM 825 CG ASN A1059 -17.530 41.956 13.592 1.00 34.48 C ATOM 826 OD1 ASN A1059 -16.881 41.239 14.334 1.00 37.49 O ATOM 827 ND2 ASN A1059 -17.057 43.092 13.105 1.00 33.51 N ATOM 828 HD22 ASN A1059 -17.646 43.673 12.475 1.00 0.00 H ATOM 829 HD21 ASN A1059 -16.096 43.404 13.352 1.00 0.00 H ATOM 830 H ASN A1059 -17.758 39.154 12.888 1.00 0.00 H ATOM 831 N ALA A1060 -21.254 39.831 12.251 1.00 30.23 N ATOM 832 CA ALA A1060 -22.672 39.684 11.854 1.00 30.94 C ATOM 833 C ALA A1060 -23.300 38.530 12.658 1.00 33.62 C ATOM 834 O ALA A1060 -24.437 38.700 13.171 1.00 33.61 O ATOM 835 CB ALA A1060 -22.771 39.500 10.340 1.00 34.41 C ATOM 836 H ALA A1060 -20.517 39.729 11.524 1.00 0.00 H ATOM 837 N LEU A1061 -22.620 37.384 12.802 1.00 34.11 N ATOM 838 CA LEU A1061 -23.221 36.217 13.502 1.00 35.53 C ATOM 839 C LEU A1061 -23.343 36.575 14.980 1.00 40.07 C ATOM 840 O LEU A1061 -24.380 36.254 15.608 1.00 42.53 O ATOM 841 CB LEU A1061 -22.369 34.955 13.330 1.00 39.12 C ATOM 842 CG LEU A1061 -22.027 34.553 11.886 1.00 40.22 C ATOM 843 CD1 LEU A1061 -21.677 33.080 11.800 1.00 44.17 C ATOM 844 CD2 LEU A1061 -23.171 34.861 10.950 1.00 35.26 C ATOM 845 H LEU A1061 -21.656 37.309 12.418 1.00 0.00 H ATOM 846 N GLU A1062 -22.339 37.254 15.515 1.00 37.71 N ATOM 847 CA GLU A1062 -22.313 37.555 16.966 1.00 45.90 C ATOM 848 C GLU A1062 -23.406 38.583 17.295 1.00 46.59 C ATOM 849 O GLU A1062 -24.042 38.429 18.347 1.00 48.05 O ATOM 850 CB GLU A1062 -20.926 38.045 17.382 1.00 48.75 C ATOM 851 CG GLU A1062 -20.904 38.701 18.751 1.00 55.74 C ATOM 852 CD GLU A1062 -19.556 39.309 19.099 1.00 62.48 C ATOM 853 OE1 GLU A1062 -18.546 38.802 18.586 1.00 54.97 O ATOM 854 OE2 GLU A1062 -19.524 40.292 19.878 1.00 74.34 O ATOM 855 H GLU A1062 -21.559 37.580 14.909 1.00 0.00 H ATOM 856 N TYR A1063 -23.602 39.601 16.449 1.00 44.44 N ATOM 857 CA TYR A1063 -24.506 40.744 16.723 1.00 43.91 C ATOM 858 C TYR A1063 -25.955 40.351 16.442 1.00 45.54 C ATOM 859 O TYR A1063 -26.857 40.953 17.012 1.00 46.19 O ATOM 860 CB TYR A1063 -24.147 41.961 15.871 1.00 47.90 C ATOM 861 CG TYR A1063 -24.919 43.186 16.277 1.00 53.85 C ATOM 862 CD1 TYR A1063 -24.785 43.705 17.553 1.00 59.01 C ATOM 863 CD2 TYR A1063 -25.833 43.780 15.426 1.00 58.09 C ATOM 864 CE1 TYR A1063 -25.513 44.810 17.964 1.00 62.81 C ATOM 865 CE2 TYR A1063 -26.564 44.889 15.816 1.00 61.33 C ATOM 866 CZ TYR A1063 -26.406 45.404 17.091 1.00 64.41 C ATOM 867 OH TYR A1063 -27.121 46.492 17.493 1.00 65.05 O ATOM 868 HH TYR A1063 -26.880 46.717 18.426 1.00 0.00 H ATOM 869 H TYR A1063 -23.089 39.590 15.544 1.00 0.00 H ATOM 870 N ASN A1064 -26.162 39.361 15.578 1.00 39.10 N ATOM 871 CA ASN A1064 -27.507 38.933 15.107 1.00 38.63 C ATOM 872 C ASN A1064 -27.664 37.429 15.328 1.00 34.75 C ATOM 873 O ASN A1064 -27.808 36.680 14.373 1.00 35.98 O ATOM 874 CB ASN A1064 -27.715 39.301 13.625 1.00 40.92 C ATOM 875 CG ASN A1064 -27.246 40.698 13.261 1.00 41.97 C ATOM 876 OD1 ASN A1064 -28.016 41.664 13.331 1.00 42.63 O ATOM 877 ND2 ASN A1064 -25.976 40.815 12.891 1.00 38.82 N ATOM 878 HD22 ASN A1064 -25.367 39.973 12.847 1.00 0.00 H ATOM 879 HD21 ASN A1064 -25.590 41.749 12.645 1.00 0.00 H ATOM 880 H ASN A1064 -25.332 38.855 15.209 1.00 0.00 H ATOM 881 N PRO A1065 -27.677 36.924 16.581 1.00 34.19 N ATOM 882 CA PRO A1065 -27.710 35.477 16.807 1.00 34.93 C ATOM 883 C PRO A1065 -29.154 34.825 16.796 1.00 36.73 C ATOM 884 O PRO A1065 -29.269 33.602 16.953 1.00 39.55 O ATOM 885 CB PRO A1065 -27.047 35.395 18.215 1.00 36.58 C ATOM 886 CG PRO A1065 -27.520 36.653 18.919 1.00 36.43 C ATOM 887 CD PRO A1065 -27.518 37.706 17.829 1.00 35.53 C ATOM 888 N ASP A1066 -30.181 35.692 16.883 1.00 40.52 N ATOM 889 CA ASP A1066 -31.568 35.290 17.300 1.00 45.39 C ATOM 890 C ASP A1066 -32.181 34.416 16.211 1.00 44.12 C ATOM 891 O ASP A1066 -31.675 34.422 15.078 1.00 45.29 O ATOM 892 CB ASP A1066 -32.455 36.495 17.612 1.00 55.05 C ATOM 893 CG ASP A1066 -32.108 37.159 18.940 1.00 67.64 C ATOM 894 OD1 ASP A1066 -31.626 36.444 19.869 1.00 69.73 O ATOM 895 OD2 ASP A1066 -32.340 38.379 19.050 1.00 84.31 O ATOM 896 H ASP A1066 -30.005 36.690 16.650 1.00 0.00 H ATOM 897 N ARG A1067 -33.244 33.702 16.562 1.00 44.18 N ATOM 898 CA ARG A1067 -33.913 32.726 15.676 1.00 44.35 C ATOM 899 C ARG A1067 -34.860 33.444 14.716 1.00 40.85 C ATOM 900 O ARG A1067 -35.378 32.773 13.810 1.00 39.15 O ATOM 901 CB ARG A1067 -34.696 31.728 16.522 1.00 49.60 C ATOM 902 CG ARG A1067 -35.840 32.363 17.304 1.00 54.03 C ATOM 903 CD ARG A1067 -37.088 31.522 17.192 1.00 56.12 C ATOM 904 NE ARG A1067 -37.443 31.237 15.811 1.00 57.39 N ATOM 905 CZ ARG A1067 -38.214 32.016 15.045 1.00 62.15 C ATOM 906 NH1 ARG A1067 -38.710 33.156 15.519 1.00 64.27 N ATOM 907 NH2 ARG A1067 -38.482 31.647 13.804 1.00 45.88 N ATOM 908 HE ARG A1067 -37.070 30.363 15.388 1.00 0.00 H ATOM 909 HH12 ARG A1067 -39.309 33.754 14.914 1.00 0.00 H ATOM 910 HH11 ARG A1067 -38.499 33.449 16.494 1.00 0.00 H ATOM 911 HH22 ARG A1067 -39.081 32.247 13.201 1.00 0.00 H ATOM 912 HH21 ARG A1067 -38.094 30.757 13.431 1.00 0.00 H ATOM 913 H ARG A1067 -33.629 33.838 17.518 1.00 0.00 H ATOM 914 N ASP A1068 -35.106 34.738 14.920 1.00 38.52 N ATOM 915 CA ASP A1068 -36.091 35.498 14.108 1.00 37.96 C ATOM 916 C ASP A1068 -35.567 35.685 12.679 1.00 35.96 C ATOM 917 O ASP A1068 -34.350 35.746 12.437 1.00 35.50 O ATOM 918 CB ASP A1068 -36.418 36.833 14.767 1.00 44.36 C ATOM 919 CG ASP A1068 -35.311 37.852 14.590 1.00 53.05 C ATOM 920 OD1 ASP A1068 -34.344 37.786 15.375 1.00 65.53 O ATOM 921 OD2 ASP A1068 -35.405 38.674 13.637 1.00 56.35 O ATOM 922 H ASP A1068 -34.590 35.233 15.675 1.00 0.00 H ATOM 923 N PRO A1069 -36.468 35.813 11.675 1.00 33.80 N ATOM 924 CA PRO A1069 -36.051 35.887 10.272 1.00 32.46 C ATOM 925 C PRO A1069 -35.123 37.053 9.912 1.00 33.06 C ATOM 926 O PRO A1069 -34.313 36.838 9.042 1.00 27.93 O ATOM 927 CB PRO A1069 -37.363 36.035 9.512 1.00 34.13 C ATOM 928 CG PRO A1069 -38.395 35.422 10.435 1.00 35.66 C ATOM 929 CD PRO A1069 -37.932 35.812 11.822 1.00 35.29 C ATOM 930 N GLY A1070 -35.290 38.224 10.567 1.00 33.33 N ATOM 931 CA GLY A1070 -34.356 39.361 10.475 1.00 34.22 C ATOM 932 C GLY A1070 -32.922 38.896 10.642 1.00 36.28 C ATOM 933 O GLY A1070 -32.118 38.972 9.661 1.00 33.91 O ATOM 934 H GLY A1070 -36.129 38.329 11.173 1.00 0.00 H ATOM 935 N ASP A1071 -32.615 38.387 11.831 1.00 37.19 N ATOM 936 CA ASP A1071 -31.261 37.919 12.219 1.00 38.64 C ATOM 937 C ASP A1071 -30.871 36.747 11.313 1.00 35.56 C ATOM 938 O ASP A1071 -29.723 36.715 10.873 1.00 37.00 O ATOM 939 CB ASP A1071 -31.149 37.493 13.692 1.00 41.16 C ATOM 940 CG ASP A1071 -31.146 38.601 14.746 1.00 48.63 C ATOM 941 OD1 ASP A1071 -31.715 39.687 14.480 1.00 50.48 O ATOM 942 OD2 ASP A1071 -30.588 38.363 15.863 1.00 49.85 O ATOM 943 H ASP A1071 -33.375 38.312 12.537 1.00 0.00 H ATOM 944 N ARG A1072 -31.757 35.791 11.068 1.00 33.57 N ATOM 945 CA ARG A1072 -31.376 34.593 10.276 1.00 35.88 C ATOM 946 C ARG A1072 -30.978 34.992 8.841 1.00 31.62 C ATOM 947 O ARG A1072 -30.072 34.307 8.266 1.00 26.06 O ATOM 948 CB ARG A1072 -32.480 33.536 10.241 1.00 39.44 C ATOM 949 CG ARG A1072 -32.423 32.594 11.432 1.00 42.99 C ATOM 950 CD ARG A1072 -33.420 31.465 11.334 1.00 46.74 C ATOM 951 NE ARG A1072 -33.453 30.685 12.569 1.00 51.01 N ATOM 952 CZ ARG A1072 -34.444 29.871 12.942 1.00 57.16 C ATOM 953 NH1 ARG A1072 -35.518 29.716 12.179 1.00 57.32 N ATOM 954 NH2 ARG A1072 -34.357 29.216 14.087 1.00 51.21 N ATOM 955 HE ARG A1072 -32.638 30.771 13.210 1.00 0.00 H ATOM 956 HH12 ARG A1072 -36.283 29.079 12.481 1.00 0.00 H ATOM 957 HH11 ARG A1072 -35.595 30.231 11.279 1.00 0.00 H ATOM 958 HH22 ARG A1072 -35.126 28.581 14.382 1.00 0.00 H ATOM 959 HH21 ARG A1072 -33.520 29.336 14.692 1.00 0.00 H ATOM 960 H ARG A1072 -32.727 35.881 11.433 1.00 0.00 H ATOM 961 N LEU A1073 -31.636 36.002 8.268 1.00 27.79 N ATOM 962 CA LEU A1073 -31.321 36.450 6.890 1.00 29.42 C ATOM 963 C LEU A1073 -29.922 37.068 6.879 1.00 31.20 C ATOM 964 O LEU A1073 -29.185 36.823 5.891 1.00 25.75 O ATOM 965 CB LEU A1073 -32.360 37.460 6.422 1.00 29.13 C ATOM 966 CG LEU A1073 -32.144 38.021 5.019 1.00 28.38 C ATOM 967 CD1 LEU A1073 -32.092 36.917 3.991 1.00 29.88 C ATOM 968 CD2 LEU A1073 -33.222 39.039 4.662 1.00 28.78 C ATOM 969 H LEU A1073 -32.387 36.486 8.800 1.00 0.00 H ATOM 970 N ILE A1074 -29.583 37.851 7.914 1.00 29.65 N ATOM 971 CA ILE A1074 -28.257 38.523 7.994 1.00 35.07 C ATOM 972 C ILE A1074 -27.223 37.411 8.105 1.00 34.60 C ATOM 973 O ILE A1074 -26.300 37.379 7.311 1.00 31.11 O ATOM 974 CB ILE A1074 -28.160 39.521 9.161 1.00 38.55 C ATOM 975 CG1 ILE A1074 -29.107 40.704 8.959 1.00 40.59 C ATOM 976 CG2 ILE A1074 -26.735 40.020 9.346 1.00 36.45 C ATOM 977 CD1 ILE A1074 -29.437 41.420 10.255 1.00 42.16 C ATOM 978 H ILE A1074 -30.267 37.993 8.684 1.00 0.00 H ATOM 979 N ARG A1075 -27.414 36.511 9.060 1.00 31.54 N ATOM 980 CA ARG A1075 -26.482 35.385 9.251 1.00 30.83 C ATOM 981 C ARG A1075 -26.290 34.628 7.938 1.00 26.80 C ATOM 982 O ARG A1075 -25.125 34.303 7.594 1.00 25.70 O ATOM 983 CB ARG A1075 -26.993 34.484 10.358 1.00 30.59 C ATOM 984 CG ARG A1075 -26.854 35.118 11.738 1.00 33.70 C ATOM 985 CD ARG A1075 -26.652 34.005 12.739 1.00 35.90 C ATOM 986 NE ARG A1075 -27.751 33.048 12.782 1.00 43.83 N ATOM 987 CZ ARG A1075 -28.904 33.233 13.429 1.00 45.55 C ATOM 988 NH1 ARG A1075 -29.143 34.368 14.063 1.00 43.17 N ATOM 989 NH2 ARG A1075 -29.830 32.288 13.406 1.00 48.29 N ATOM 990 HE ARG A1075 -27.627 32.152 12.269 1.00 0.00 H ATOM 991 HH12 ARG A1075 -30.044 34.504 14.565 1.00 0.00 H ATOM 992 HH11 ARG A1075 -28.430 35.125 14.060 1.00 0.00 H ATOM 993 HH22 ARG A1075 -30.729 32.429 13.909 1.00 0.00 H ATOM 994 HH21 ARG A1075 -29.658 31.404 12.885 1.00 0.00 H ATOM 995 H ARG A1075 -28.239 36.601 9.687 1.00 0.00 H ATOM 996 N HIS A1076 -27.366 34.266 7.274 1.00 26.89 N ATOM 997 CA HIS A1076 -27.262 33.534 5.975 1.00 27.43 C ATOM 998 C HIS A1076 -26.424 34.361 4.998 1.00 25.36 C ATOM 999 O HIS A1076 -25.592 33.785 4.274 1.00 25.72 O ATOM 1000 CB HIS A1076 -28.622 33.208 5.363 1.00 29.89 C ATOM 1001 CG HIS A1076 -28.519 32.424 4.089 1.00 34.00 C ATOM 1002 ND1 HIS A1076 -28.535 33.020 2.822 1.00 40.64 N ATOM 1003 CD2 HIS A1076 -28.466 31.090 3.872 1.00 38.58 C ATOM 1004 CE1 HIS A1076 -28.460 32.084 1.891 1.00 37.86 C ATOM 1005 NE2 HIS A1076 -28.405 30.886 2.511 1.00 35.70 N ATOM 1006 H HIS A1076 -28.305 34.493 7.659 1.00 0.00 H ATOM 1007 N ARG A1077 -26.638 35.662 4.976 1.00 25.68 N ATOM 1008 CA ARG A1077 -26.002 36.561 3.977 1.00 25.26 C ATOM 1009 C ARG A1077 -24.525 36.719 4.333 1.00 25.78 C ATOM 1010 O ARG A1077 -23.692 36.729 3.426 1.00 23.25 O ATOM 1011 CB ARG A1077 -26.714 37.913 3.954 1.00 24.29 C ATOM 1012 CG ARG A1077 -28.039 37.870 3.224 1.00 23.85 C ATOM 1013 CD ARG A1077 -28.660 39.241 3.345 1.00 27.00 C ATOM 1014 NE ARG A1077 -29.830 39.329 2.502 1.00 30.37 N ATOM 1015 CZ ARG A1077 -30.665 40.371 2.419 1.00 33.50 C ATOM 1016 NH1 ARG A1077 -30.463 41.469 3.116 1.00 35.41 N ATOM 1017 NH2 ARG A1077 -31.714 40.301 1.617 1.00 38.00 N ATOM 1018 HE ARG A1077 -30.043 38.505 1.904 1.00 0.00 H ATOM 1019 HH12 ARG A1077 -31.126 42.266 3.035 1.00 0.00 H ATOM 1020 HH11 ARG A1077 -29.640 41.540 3.748 1.00 0.00 H ATOM 1021 HH22 ARG A1077 -32.369 41.106 1.546 1.00 0.00 H ATOM 1022 HH21 ARG A1077 -31.884 39.441 1.057 1.00 0.00 H ATOM 1023 H ARG A1077 -27.277 36.075 5.685 1.00 0.00 H ATOM 1024 N ALA A1078 -24.234 36.788 5.629 1.00 24.50 N ATOM 1025 CA ALA A1078 -22.872 36.884 6.163 1.00 25.78 C ATOM 1026 C ALA A1078 -22.084 35.597 5.929 1.00 25.74 C ATOM 1027 O ALA A1078 -20.896 35.738 5.554 1.00 28.72 O ATOM 1028 CB ALA A1078 -22.915 37.258 7.619 1.00 27.53 C ATOM 1029 H ALA A1078 -25.023 36.773 6.307 1.00 0.00 H ATOM 1030 N CYS A1079 -22.699 34.413 6.069 1.00 23.47 N ATOM 1031 CA CYS A1079 -22.047 33.149 5.699 1.00 23.49 C ATOM 1032 C CYS A1079 -21.863 33.127 4.163 1.00 22.99 C ATOM 1033 O CYS A1079 -20.845 32.635 3.746 1.00 20.83 O ATOM 1034 CB CYS A1079 -22.740 31.926 6.266 1.00 28.10 C ATOM 1035 SG CYS A1079 -22.601 31.859 8.086 1.00 43.71 S ATOM 1036 H CYS A1079 -23.666 34.389 6.451 1.00 0.00 H ATOM 1037 N ALA A1080 -22.765 33.686 3.370 1.00 22.85 N ATOM 1038 CA ALA A1080 -22.659 33.667 1.870 1.00 23.05 C ATOM 1039 C ALA A1080 -21.516 34.581 1.371 1.00 22.69 C ATOM 1040 O ALA A1080 -20.739 34.198 0.463 1.00 20.72 O ATOM 1041 CB ALA A1080 -23.993 34.047 1.293 1.00 23.72 C ATOM 1042 H ALA A1080 -23.583 34.159 3.804 1.00 0.00 H ATOM 1043 N LEU A1081 -21.366 35.763 1.961 1.00 22.00 N ATOM 1044 CA LEU A1081 -20.232 36.674 1.696 1.00 22.73 C ATOM 1045 C LEU A1081 -18.907 35.967 1.946 1.00 23.56 C ATOM 1046 O LEU A1081 -18.002 36.028 1.061 1.00 19.72 O ATOM 1047 CB LEU A1081 -20.320 37.881 2.630 1.00 24.45 C ATOM 1048 CG LEU A1081 -19.071 38.761 2.633 1.00 25.98 C ATOM 1049 CD1 LEU A1081 -19.200 39.871 1.639 1.00 28.27 C ATOM 1050 CD2 LEU A1081 -18.811 39.359 4.009 1.00 29.50 C ATOM 1051 H LEU A1081 -22.087 36.064 2.648 1.00 0.00 H ATOM 1052 N ARG A1082 -18.776 35.386 3.141 1.00 25.61 N ATOM 1053 CA ARG A1082 -17.599 34.578 3.551 1.00 26.51 C ATOM 1054 C ARG A1082 -17.327 33.517 2.483 1.00 24.44 C ATOM 1055 O ARG A1082 -16.219 33.472 1.961 1.00 25.12 O ATOM 1056 CB ARG A1082 -17.850 33.881 4.895 1.00 27.98 C ATOM 1057 CG ARG A1082 -16.695 33.026 5.404 1.00 29.25 C ATOM 1058 CD ARG A1082 -17.124 32.046 6.484 1.00 30.00 C ATOM 1059 NE ARG A1082 -18.054 31.056 5.946 1.00 30.34 N ATOM 1060 CZ ARG A1082 -19.063 30.517 6.600 1.00 30.22 C ATOM 1061 NH1 ARG A1082 -19.292 30.852 7.857 1.00 32.90 N ATOM 1062 NH2 ARG A1082 -19.827 29.622 5.994 1.00 28.77 N ATOM 1063 HE ARG A1082 -17.907 30.751 4.963 1.00 0.00 H ATOM 1064 HH12 ARG A1082 -20.089 30.426 8.372 1.00 0.00 H ATOM 1065 HH11 ARG A1082 -18.676 31.542 8.332 1.00 0.00 H ATOM 1066 HH22 ARG A1082 -20.626 29.191 6.502 1.00 0.00 H ATOM 1067 HH21 ARG A1082 -19.629 29.350 5.010 1.00 0.00 H ATOM 1068 H ARG A1082 -19.547 35.507 3.828 1.00 0.00 H ATOM 1069 N ASP A1083 -18.317 32.670 2.231 1.00 24.02 N ATOM 1070 CA ASP A1083 -18.174 31.479 1.351 1.00 25.48 C ATOM 1071 C ASP A1083 -17.857 31.920 -0.096 1.00 24.72 C ATOM 1072 O ASP A1083 -17.065 31.253 -0.775 1.00 25.46 O ATOM 1073 CB ASP A1083 -19.410 30.584 1.405 1.00 28.10 C ATOM 1074 CG ASP A1083 -19.559 29.786 2.702 1.00 31.42 C ATOM 1075 OD1 ASP A1083 -18.597 29.696 3.471 1.00 34.35 O ATOM 1076 OD2 ASP A1083 -20.611 29.220 2.884 1.00 33.33 O ATOM 1077 H ASP A1083 -19.242 32.848 2.672 1.00 0.00 H ATOM 1078 N THR A1084 -18.381 33.052 -0.509 1.00 23.29 N ATOM 1079 CA THR A1084 -18.165 33.576 -1.878 1.00 21.89 C ATOM 1080 C THR A1084 -16.727 34.076 -1.980 1.00 23.47 C ATOM 1081 O THR A1084 -16.115 33.986 -3.085 1.00 22.05 O ATOM 1082 CB THR A1084 -19.135 34.716 -2.161 1.00 21.88 C ATOM 1083 OG1 THR A1084 -20.440 34.131 -2.036 1.00 19.08 O ATOM 1084 CG2 THR A1084 -18.901 35.352 -3.521 1.00 22.74 C ATOM 1085 HG1 THR A1084 -20.553 33.772 -1.120 1.00 0.00 H ATOM 1086 H THR A1084 -18.970 33.601 0.150 1.00 0.00 H ATOM 1087 N ALA A1085 -16.179 34.622 -0.895 1.00 21.25 N ATOM 1088 CA ALA A1085 -14.871 35.295 -0.976 1.00 23.79 C ATOM 1089 C ALA A1085 -13.854 34.169 -1.100 1.00 24.99 C ATOM 1090 O ALA A1085 -12.921 34.297 -1.956 1.00 24.58 O ATOM 1091 CB ALA A1085 -14.561 36.156 0.245 1.00 22.96 C ATOM 1092 H ALA A1085 -16.678 34.573 0.016 1.00 0.00 H ATOM 1093 N TYR A1086 -14.042 33.133 -0.264 1.00 24.69 N ATOM 1094 CA TYR A1086 -13.167 31.936 -0.203 1.00 26.88 C ATOM 1095 C TYR A1086 -13.238 31.194 -1.531 1.00 26.64 C ATOM 1096 O TYR A1086 -12.186 30.732 -1.955 1.00 23.52 O ATOM 1097 CB TYR A1086 -13.473 31.001 0.958 1.00 30.08 C ATOM 1098 CG TYR A1086 -12.789 31.386 2.246 1.00 32.16 C ATOM 1099 CD1 TYR A1086 -13.369 32.313 3.089 1.00 33.92 C ATOM 1100 CD2 TYR A1086 -11.557 30.861 2.612 1.00 34.31 C ATOM 1101 CE1 TYR A1086 -12.776 32.686 4.290 1.00 34.19 C ATOM 1102 CE2 TYR A1086 -10.943 31.234 3.804 1.00 36.05 C ATOM 1103 CZ TYR A1086 -11.565 32.137 4.657 1.00 36.95 C ATOM 1104 OH TYR A1086 -11.003 32.553 5.836 1.00 37.68 O ATOM 1105 HH TYR A1086 -11.612 33.192 6.283 1.00 0.00 H ATOM 1106 H TYR A1086 -14.855 33.173 0.383 1.00 0.00 H ATOM 1107 N ALA A1087 -14.412 31.139 -2.155 1.00 28.82 N ATOM 1108 CA ALA A1087 -14.636 30.438 -3.440 1.00 31.54 C ATOM 1109 C ALA A1087 -13.916 31.189 -4.569 1.00 26.86 C ATOM 1110 O ALA A1087 -13.239 30.538 -5.315 1.00 27.14 O ATOM 1111 CB ALA A1087 -16.110 30.325 -3.725 1.00 35.12 C ATOM 1112 H ALA A1087 -15.222 31.618 -1.713 1.00 0.00 H ATOM 1113 N ILE A1088 -14.044 32.518 -4.646 1.00 23.62 N ATOM 1114 CA ILE A1088 -13.357 33.359 -5.657 1.00 25.36 C ATOM 1115 C ILE A1088 -11.858 33.120 -5.528 1.00 25.91 C ATOM 1116 O ILE A1088 -11.173 32.879 -6.545 1.00 21.73 O ATOM 1117 CB ILE A1088 -13.728 34.838 -5.481 1.00 26.60 C ATOM 1118 CG1 ILE A1088 -15.175 35.092 -5.926 1.00 28.03 C ATOM 1119 CG2 ILE A1088 -12.751 35.719 -6.211 1.00 25.88 C ATOM 1120 CD1 ILE A1088 -15.784 36.381 -5.363 1.00 28.24 C ATOM 1121 H ILE A1088 -14.662 32.990 -3.956 1.00 0.00 H ATOM 1122 N ILE A1089 -11.368 33.117 -4.302 1.00 23.40 N ATOM 1123 CA ILE A1089 -9.913 33.068 -4.064 1.00 25.26 C ATOM 1124 C ILE A1089 -9.447 31.660 -4.433 1.00 26.91 C ATOM 1125 O ILE A1089 -8.380 31.513 -5.077 1.00 26.53 O ATOM 1126 CB ILE A1089 -9.554 33.549 -2.633 1.00 27.98 C ATOM 1127 CG1 ILE A1089 -9.274 35.056 -2.634 1.00 32.69 C ATOM 1128 CG2 ILE A1089 -8.345 32.822 -2.067 1.00 29.81 C ATOM 1129 CD1 ILE A1089 -10.309 35.894 -1.984 1.00 36.73 C ATOM 1130 H ILE A1089 -12.018 33.150 -3.491 1.00 0.00 H ATOM 1131 N LYS A1090 -10.252 30.663 -4.113 1.00 29.59 N ATOM 1132 CA LYS A1090 -9.882 29.265 -4.375 1.00 31.21 C ATOM 1133 C LYS A1090 -9.763 29.084 -5.902 1.00 28.84 C ATOM 1134 O LYS A1090 -8.876 28.350 -6.330 1.00 26.96 O ATOM 1135 CB LYS A1090 -10.897 28.314 -3.727 1.00 34.31 C ATOM 1136 CG LYS A1090 -10.484 26.850 -3.772 1.00 39.77 C ATOM 1137 CD LYS A1090 -11.615 25.886 -3.617 1.00 45.41 C ATOM 1138 CE LYS A1090 -11.168 24.450 -3.762 1.00 53.98 C ATOM 1139 NZ LYS A1090 -12.293 23.522 -3.483 1.00 65.83 N ATOM 1140 HZ1 LYS A1090 -12.633 23.673 -2.512 1.00 0.00 H ATOM 1141 HZ2 LYS A1090 -13.066 23.704 -4.154 1.00 0.00 H ATOM 1142 HZ3 LYS A1090 -11.965 22.541 -3.588 1.00 0.00 H ATOM 1143 H LYS A1090 -11.168 30.872 -3.666 1.00 0.00 H ATOM 1144 N GLU A1091 -10.601 29.725 -6.708 1.00 29.82 N ATOM 1145 CA GLU A1091 -10.594 29.512 -8.178 1.00 31.64 C ATOM 1146 C GLU A1091 -9.588 30.432 -8.864 1.00 30.29 C ATOM 1147 O GLU A1091 -9.123 30.030 -9.965 1.00 33.89 O ATOM 1148 CB GLU A1091 -11.972 29.732 -8.790 1.00 39.92 C ATOM 1149 CG GLU A1091 -12.913 28.563 -8.617 1.00 46.51 C ATOM 1150 CD GLU A1091 -14.349 28.904 -8.992 1.00 60.07 C ATOM 1151 OE1 GLU A1091 -14.555 29.432 -10.106 1.00 66.00 O ATOM 1152 OE2 GLU A1091 -15.261 28.669 -8.167 1.00 67.52 O ATOM 1153 H GLU A1091 -11.282 30.396 -6.298 1.00 0.00 H ATOM 1154 N GLU A1092 -9.224 31.588 -8.282 1.00 28.36 N ATOM 1155 CA GLU A1092 -8.593 32.698 -9.068 1.00 28.43 C ATOM 1156 C GLU A1092 -7.217 33.131 -8.543 1.00 28.56 C ATOM 1157 O GLU A1092 -6.460 33.758 -9.325 1.00 25.90 O ATOM 1158 CB GLU A1092 -9.533 33.900 -9.098 1.00 27.17 C ATOM 1159 CG GLU A1092 -10.929 33.519 -9.569 1.00 28.74 C ATOM 1160 CD GLU A1092 -11.792 34.691 -10.040 1.00 33.36 C ATOM 1161 OE1 GLU A1092 -11.262 35.849 -10.152 1.00 31.60 O ATOM 1162 OE2 GLU A1092 -13.019 34.451 -10.224 1.00 34.06 O ATOM 1163 H GLU A1092 -9.384 31.715 -7.262 1.00 0.00 H ATOM 1164 N LEU A1093 -6.925 32.869 -7.272 1.00 27.91 N ATOM 1165 CA LEU A1093 -5.599 33.143 -6.686 1.00 29.36 C ATOM 1166 C LEU A1093 -4.653 31.963 -6.958 1.00 30.17 C ATOM 1167 O LEU A1093 -4.947 30.843 -6.525 1.00 31.12 O ATOM 1168 CB LEU A1093 -5.734 33.347 -5.179 1.00 29.72 C ATOM 1169 CG LEU A1093 -4.408 33.603 -4.476 1.00 31.52 C ATOM 1170 CD1 LEU A1093 -3.844 34.939 -4.899 1.00 29.70 C ATOM 1171 CD2 LEU A1093 -4.574 33.500 -2.961 1.00 35.26 C ATOM 1172 H LEU A1093 -7.662 32.454 -6.666 1.00 0.00 H ATOM 1173 N ASP A1094 -3.510 32.233 -7.580 1.00 32.43 N ATOM 1174 CA ASP A1094 -2.381 31.266 -7.719 1.00 32.61 C ATOM 1175 C ASP A1094 -1.675 31.108 -6.376 1.00 28.43 C ATOM 1176 O ASP A1094 -1.289 32.131 -5.843 1.00 26.94 O ATOM 1177 CB ASP A1094 -1.388 31.742 -8.783 1.00 34.00 C ATOM 1178 CG ASP A1094 -0.501 30.623 -9.299 1.00 40.31 C ATOM 1179 OD1 ASP A1094 0.204 29.967 -8.469 1.00 45.10 O ATOM 1180 OD2 ASP A1094 -0.524 30.403 -10.520 1.00 44.62 O ATOM 1181 H ASP A1094 -3.395 33.179 -7.997 1.00 0.00 H ATOM 1182 N GLU A1095 -1.535 29.880 -5.867 1.00 30.65 N ATOM 1183 CA GLU A1095 -0.957 29.573 -4.531 1.00 35.24 C ATOM 1184 C GLU A1095 0.503 30.029 -4.476 1.00 35.08 C ATOM 1185 O GLU A1095 0.984 30.359 -3.342 1.00 33.20 O ATOM 1186 CB GLU A1095 -0.945 28.070 -4.274 1.00 45.77 C ATOM 1187 CG GLU A1095 -2.318 27.450 -4.086 1.00 54.27 C ATOM 1188 CD GLU A1095 -2.273 25.937 -3.911 1.00 63.64 C ATOM 1189 OE1 GLU A1095 -1.158 25.360 -4.012 1.00 66.72 O ATOM 1190 OE2 GLU A1095 -3.349 25.329 -3.677 1.00 76.56 O ATOM 1191 H GLU A1095 -1.854 29.079 -6.449 1.00 0.00 H ATOM 1192 N ASP A1096 1.162 30.037 -5.639 1.00 29.35 N ATOM 1193 CA ASP A1096 2.564 30.506 -5.798 1.00 33.87 C ATOM 1194 C ASP A1096 2.627 32.018 -5.653 1.00 29.84 C ATOM 1195 O ASP A1096 3.611 32.477 -5.083 1.00 28.46 O ATOM 1196 CB ASP A1096 3.203 30.092 -7.124 1.00 33.44 C ATOM 1197 CG ASP A1096 3.484 28.608 -7.122 1.00 38.64 C ATOM 1198 OD1 ASP A1096 3.543 28.036 -6.010 1.00 36.42 O ATOM 1199 OD2 ASP A1096 3.552 28.034 -8.211 1.00 40.22 O ATOM 1200 H ASP A1096 0.663 29.694 -6.485 1.00 0.00 H ATOM 1201 N PHE A1097 1.595 32.740 -6.083 1.00 27.51 N ATOM 1202 CA PHE A1097 1.498 34.191 -5.838 1.00 24.58 C ATOM 1203 C PHE A1097 1.312 34.409 -4.321 1.00 25.34 C ATOM 1204 O PHE A1097 2.049 35.169 -3.719 1.00 26.04 O ATOM 1205 CB PHE A1097 0.417 34.804 -6.724 1.00 26.38 C ATOM 1206 CG PHE A1097 0.327 36.298 -6.547 1.00 25.96 C ATOM 1207 CD1 PHE A1097 1.161 37.146 -7.259 1.00 24.97 C ATOM 1208 CD2 PHE A1097 -0.490 36.834 -5.554 1.00 25.18 C ATOM 1209 CE1 PHE A1097 1.087 38.511 -7.070 1.00 24.45 C ATOM 1210 CE2 PHE A1097 -0.517 38.194 -5.321 1.00 24.16 C ATOM 1211 CZ PHE A1097 0.271 39.028 -6.075 1.00 26.66 C ATOM 1212 H PHE A1097 0.833 32.266 -6.608 1.00 0.00 H ATOM 1213 N GLU A1098 0.397 33.714 -3.684 1.00 28.34 N ATOM 1214 CA GLU A1098 0.172 33.908 -2.218 1.00 32.20 C ATOM 1215 C GLU A1098 1.494 33.665 -1.465 1.00 30.74 C ATOM 1216 O GLU A1098 1.870 34.527 -0.687 1.00 29.16 O ATOM 1217 CB GLU A1098 -0.965 33.027 -1.725 1.00 32.78 C ATOM 1218 CG GLU A1098 -1.225 33.156 -0.227 1.00 38.72 C ATOM 1219 CD GLU A1098 -1.464 34.562 0.313 1.00 46.84 C ATOM 1220 OE1 GLU A1098 -1.404 35.536 -0.481 1.00 44.43 O ATOM 1221 OE2 GLU A1098 -1.701 34.688 1.548 1.00 53.16 O ATOM 1222 H GLU A1098 -0.177 33.021 -4.205 1.00 0.00 H ATOM 1223 N GLN A1099 2.178 32.553 -1.750 1.00 31.83 N ATOM 1224 CA GLN A1099 3.473 32.140 -1.147 1.00 33.21 C ATOM 1225 C GLN A1099 4.542 33.226 -1.331 1.00 30.99 C ATOM 1226 O GLN A1099 5.267 33.534 -0.364 1.00 28.56 O ATOM 1227 CB GLN A1099 3.918 30.810 -1.765 1.00 36.98 C ATOM 1228 CG GLN A1099 5.107 30.176 -1.054 1.00 38.11 C ATOM 1229 CD GLN A1099 4.813 29.972 0.415 1.00 41.57 C ATOM 1230 OE1 GLN A1099 3.675 29.703 0.794 1.00 40.00 O ATOM 1231 NE2 GLN A1099 5.835 30.091 1.258 1.00 36.69 N ATOM 1232 HE22 GLN A1099 6.783 30.320 0.897 1.00 0.00 H ATOM 1233 HE21 GLN A1099 5.686 29.955 2.278 1.00 0.00 H ATOM 1234 H GLN A1099 1.765 31.916 -2.461 1.00 0.00 H ATOM 1235 N LEU A1100 4.682 33.765 -2.542 1.00 28.65 N ATOM 1236 CA LEU A1100 5.617 34.873 -2.794 1.00 29.88 C ATOM 1237 C LEU A1100 5.303 35.994 -1.803 1.00 29.19 C ATOM 1238 O LEU A1100 6.237 36.556 -1.252 1.00 28.64 O ATOM 1239 CB LEU A1100 5.496 35.364 -4.235 1.00 30.94 C ATOM 1240 CG LEU A1100 6.341 36.583 -4.573 1.00 32.89 C ATOM 1241 CD1 LEU A1100 7.802 36.383 -4.209 1.00 37.90 C ATOM 1242 CD2 LEU A1100 6.214 36.934 -6.051 1.00 37.14 C ATOM 1243 H LEU A1100 4.115 33.392 -3.330 1.00 0.00 H ATOM 1244 N CYS A1101 4.028 36.361 -1.674 1.00 27.90 N ATOM 1245 CA CYS A1101 3.550 37.494 -0.851 1.00 28.52 C ATOM 1246 C CYS A1101 3.925 37.250 0.624 1.00 29.78 C ATOM 1247 O CYS A1101 4.324 38.224 1.312 1.00 30.09 O ATOM 1248 CB CYS A1101 2.039 37.702 -0.997 1.00 30.12 C ATOM 1249 SG CYS A1101 1.575 38.606 -2.495 1.00 28.54 S ATOM 1250 H CYS A1101 3.315 35.809 -2.191 1.00 0.00 H ATOM 1251 N GLU A1102 3.832 35.999 1.061 1.00 30.40 N ATOM 1252 CA GLU A1102 4.133 35.577 2.443 1.00 37.32 C ATOM 1253 C GLU A1102 5.627 35.653 2.673 1.00 41.22 C ATOM 1254 O GLU A1102 5.998 36.039 3.793 1.00 38.78 O ATOM 1255 CB GLU A1102 3.674 34.150 2.714 1.00 42.18 C ATOM 1256 CG GLU A1102 2.166 34.050 2.812 1.00 51.19 C ATOM 1257 CD GLU A1102 1.669 32.839 3.574 1.00 63.93 C ATOM 1258 OE1 GLU A1102 1.869 31.718 3.059 1.00 67.12 O ATOM 1259 OE2 GLU A1102 1.086 33.022 4.683 1.00 67.33 O ATOM 1260 H GLU A1102 3.527 35.269 0.385 1.00 0.00 H ATOM 1261 N GLU A1103 6.424 35.279 1.669 1.00 38.86 N ATOM 1262 CA GLU A1103 7.899 35.203 1.834 1.00 42.56 C ATOM 1263 C GLU A1103 8.445 36.625 1.766 1.00 44.25 C ATOM 1264 O GLU A1103 9.284 36.968 2.607 1.00 49.49 O ATOM 1265 CB GLU A1103 8.531 34.249 0.824 1.00 43.53 C ATOM 1266 CG GLU A1103 8.181 32.799 1.113 1.00 41.16 C ATOM 1267 CD GLU A1103 8.785 31.795 0.149 1.00 40.71 C ATOM 1268 OE1 GLU A1103 9.576 32.226 -0.714 1.00 37.93 O ATOM 1269 OE2 GLU A1103 8.469 30.588 0.273 1.00 39.50 O ATOM 1270 H GLU A1103 6.003 35.035 0.750 1.00 0.00 H ATOM 1271 N ILE A1104 7.910 37.474 0.903 1.00 36.82 N ATOM 1272 CA ILE A1104 8.301 38.899 1.005 1.00 37.15 C ATOM 1273 C ILE A1104 7.892 39.428 2.384 1.00 41.23 C ATOM 1274 O ILE A1104 8.740 40.031 3.042 1.00 45.06 O ATOM 1275 CB ILE A1104 7.717 39.753 -0.107 1.00 33.41 C ATOM 1276 CG1 ILE A1104 8.196 39.317 -1.489 1.00 39.29 C ATOM 1277 CG2 ILE A1104 8.062 41.197 0.171 1.00 36.64 C ATOM 1278 CD1 ILE A1104 7.363 39.881 -2.623 1.00 33.64 C ATOM 1279 H ILE A1104 7.238 37.151 0.178 1.00 0.00 H ATOM 1280 N GLN A1105 6.648 39.225 2.814 1.00 47.99 N ATOM 1281 CA GLN A1105 6.142 39.764 4.117 1.00 47.76 C ATOM 1282 C GLN A1105 7.075 39.297 5.241 1.00 49.90 C ATOM 1283 O GLN A1105 7.489 40.160 6.038 1.00 53.54 O ATOM 1284 CB GLN A1105 4.696 39.326 4.384 1.00 50.18 C ATOM 1285 CG GLN A1105 4.031 40.020 5.579 1.00 53.22 C ATOM 1286 CD GLN A1105 2.701 39.400 5.943 1.00 58.46 C ATOM 1287 OE1 GLN A1105 2.567 38.182 6.034 1.00 65.00 O ATOM 1288 NE2 GLN A1105 1.693 40.228 6.175 1.00 58.13 N ATOM 1289 HE22 GLN A1105 1.834 41.255 6.091 1.00 0.00 H ATOM 1290 HE21 GLN A1105 0.761 39.851 6.441 1.00 0.00 H ATOM 1291 H GLN A1105 6.000 38.669 2.220 1.00 0.00 H ATOM 1292 N GLU A1106 7.392 37.996 5.304 1.00 53.25 N ATOM 1293 CA GLU A1106 8.303 37.379 6.319 1.00 59.14 C ATOM 1294 C GLU A1106 9.676 38.072 6.306 1.00 56.80 C ATOM 1295 O GLU A1106 10.294 38.136 7.368 1.00 59.70 O ATOM 1296 CB GLU A1106 8.506 35.882 6.066 1.00 61.70 C ATOM 1297 CG GLU A1106 7.325 35.010 6.459 1.00 70.73 C ATOM 1298 CD GLU A1106 7.330 33.592 5.887 1.00 82.00 C ATOM 1299 OE1 GLU A1106 7.840 32.672 6.573 1.00 80.92 O ATOM 1300 OE2 GLU A1106 6.798 33.395 4.761 1.00 82.11 O ATOM 1301 H GLU A1106 6.972 37.366 4.591 1.00 0.00 H ATOM 1302 N SER A1107 10.139 38.551 5.146 1.00 52.49 N ATOM 1303 CA SER A1107 11.446 39.230 4.937 1.00 54.69 C ATOM 1304 C SER A1107 11.442 40.628 5.557 1.00 57.58 C ATOM 1305 O SER A1107 12.530 41.109 5.887 1.00 68.89 O ATOM 1306 CB SER A1107 11.806 39.319 3.473 1.00 56.59 C ATOM 1307 OG SER A1107 11.324 40.531 2.895 1.00 51.99 O ATOM 1308 HG SER A1107 10.338 40.567 2.981 1.00 0.00 H ATOM 1309 H SER A1107 9.528 38.438 4.312 1.00 0.00 H ATOM 1310 N ARG A1108 10.289 41.293 5.623 1.00 68.07 N ATOM 1311 CA ARG A1108 10.077 42.474 6.506 1.00 76.29 C ATOM 1312 C ARG A1108 9.931 41.961 7.945 1.00 83.21 C ATOM 1313 O ARG A1108 9.054 41.147 8.261 1.00 84.30 O ATOM 1314 CB ARG A1108 8.841 43.281 6.094 1.00 76.11 C ATOM 1315 CG ARG A1108 9.052 44.198 4.901 1.00 73.75 C ATOM 1316 CD ARG A1108 7.961 43.963 3.873 1.00 80.32 C ATOM 1317 NE ARG A1108 8.109 44.739 2.645 1.00 83.00 N ATOM 1318 CZ ARG A1108 9.095 44.598 1.754 1.00 85.04 C ATOM 1319 NH1 ARG A1108 9.114 45.351 0.664 1.00 80.39 N ATOM 1320 NH2 ARG A1108 10.065 43.716 1.950 1.00 89.45 N ATOM 1321 OXT ARG A1108 10.695 42.342 8.827 1.00 88.31 O ATOM 1322 HE ARG A1108 7.387 45.461 2.447 1.00 0.00 H ATOM 1323 HH12 ARG A1108 9.881 45.242 -0.030 1.00 0.00 H ATOM 1324 HH11 ARG A1108 8.362 46.051 0.502 1.00 0.00 H ATOM 1325 HH22 ARG A1108 10.827 43.616 1.249 1.00 0.00 H ATOM 1326 HH21 ARG A1108 10.064 43.124 2.805 1.00 0.00 H ATOM 1327 H ARG A1108 9.498 40.972 5.029 1.00 0.00 H TER 1328 ARG A1108 HETATM 1329 O HOH 1 -0.741 42.305 5.637 1.00 56.69 O HETATM 1330 O HOH 2 -16.582 42.485 19.286 1.00 48.68 O HETATM 1331 O HOH 3 -30.260 35.174 21.016 1.00 64.60 O HETATM 1332 O HOH 4 -22.747 52.305 17.157 1.00 74.52 O HETATM 1333 O HOH 5 -9.735 46.926 13.180 1.00 45.99 O HETATM 1334 O HOH 6 -9.668 52.678 -4.131 1.00 42.65 O HETATM 1335 O HOH 7 -6.462 40.449 8.697 1.00 52.98 O HETATM 1336 O HOH 8 -18.760 45.355 11.743 1.00 36.73 O HETATM 1337 O HOH 9 -38.159 29.334 13.487 1.00 48.54 O HETATM 1338 O HOH 10 -31.332 37.129 22.149 1.00 57.89 O HETATM 1339 O HOH 11 -9.284 27.722 -10.636 1.00 43.32 O HETATM 1340 O HOH 12 -25.085 31.445 3.716 1.00 38.08 O HETATM 1341 O HOH 13 -17.576 31.546 9.512 1.00 47.45 O HETATM 1342 O HOH 14 -16.204 28.994 -0.196 1.00 28.92 O HETATM 1343 O HOH 15 3.445 48.422 -4.688 1.00 48.84 O HETATM 1344 O HOH 16 -34.970 35.008 7.481 1.00 38.84 O HETATM 1345 O HOH 17 -13.778 52.736 1.334 1.00 53.54 O HETATM 1346 O HOH 18 -5.390 38.417 -10.616 1.00 22.08 O HETATM 1347 O HOH 19 9.549 39.067 9.618 1.00 65.90 O HETATM 1348 O HOH 20 -4.330 31.510 -13.595 1.00 68.54 O HETATM 1349 O HOH 21 -3.221 51.747 -12.748 1.00 42.96 O HETATM 1350 O HOH 22 -10.953 37.734 11.589 1.00 34.25 O HETATM 1351 O HOH 23 9.527 29.201 2.152 1.00 38.71 O HETATM 1352 O HOH 24 -37.357 39.225 11.714 1.00 50.58 O HETATM 1353 O HOH 25 -12.391 47.692 13.874 1.00 54.12 O HETATM 1354 O HOH 26 11.231 35.652 3.664 1.00 42.31 O HETATM 1355 O HOH 27 -27.015 38.342 -5.916 1.00 57.34 O HETATM 1356 O HOH 28 -8.853 45.733 -9.257 1.00 23.53 O HETATM 1357 O HOH 29 -8.946 34.472 8.032 1.00 58.94 O HETATM 1358 O HOH 30 -30.423 39.806 18.040 1.00 64.61 O HETATM 1359 O HOH 31 -10.107 29.749 -0.746 1.00 44.93 O HETATM 1360 O HOH 32 -0.250 36.550 6.319 1.00 37.55 O HETATM 1361 O HOH 33 -6.955 35.735 -10.944 1.00 36.23 O HETATM 1362 O HOH 34 -14.418 43.184 -9.808 1.00 47.89 O HETATM 1363 O HOH 35 -29.843 44.482 1.633 1.00 51.78 O HETATM 1364 O HOH 36 -14.371 27.938 -5.815 1.00 46.69 O HETATM 1365 O HOH 37 -29.831 44.419 -0.753 1.00 45.63 O HETATM 1366 O HOH 38 0.556 36.923 -11.258 1.00 36.35 O HETATM 1367 O HOH 39 -9.639 54.443 -0.478 1.00 40.19 O HETATM 1368 O HOH 40 0.396 27.339 -8.436 1.00 60.80 O HETATM 1369 O HOH 41 -24.337 45.228 -2.396 1.00 44.97 O HETATM 1370 O HOH 42 -29.879 41.286 15.499 1.00 70.12 O HETATM 1371 O HOH 43 -25.023 33.706 15.919 1.00 56.21 O HETATM 1372 O HOH 44 -13.852 49.571 18.927 1.00 67.60 O HETATM 1373 O HOH 45 -8.658 44.384 11.022 1.00 41.08 O HETATM 1374 O HOH 46 -16.830 38.462 15.639 1.00 60.96 O HETATM 1375 O HOH 47 -32.053 42.243 -0.676 1.00 58.29 O HETATM 1376 O HOH 48 -25.587 49.265 3.542 1.00 48.24 O HETATM 1377 O HOH 49 -13.090 53.225 5.438 1.00 61.92 O HETATM 1378 O HOH 50 11.588 33.963 -1.062 1.00 43.02 O HETATM 1379 O HOH 51 -20.578 40.112 -8.213 1.00 36.39 O HETATM 1380 O HOH 52 0.518 30.309 -0.698 1.00 55.93 O HETATM 1381 O HOH 53 -22.236 33.511 -4.478 1.00 38.75 O HETATM 1382 O HOH 54 -15.897 53.511 5.211 1.00 45.78 O HETATM 1383 O HOH 55 -9.803 39.062 -8.926 1.00 66.23 O HETATM 1384 O HOH 56 -16.837 48.525 10.221 1.00 52.86 O HETATM 1385 O HOH 57 -23.803 36.366 20.119 1.00 53.06 O HETATM 1386 O HOH 58 -22.469 59.987 15.587 1.00 66.95 O HETATM 1387 O HOH 59 3.743 27.868 -3.291 1.00 47.10 O HETATM 1388 O HOH 60 -21.204 48.353 -3.097 1.00 49.04 O HETATM 1389 O HOH 61 13.129 39.969 -13.448 1.00 49.74 O HETATM 1390 O HOH 62 13.978 48.592 -2.585 1.00 59.09 O HETATM 1391 O HOH 63 -3.189 46.424 0.922 1.00 25.32 O HETATM 1392 O HOH 64 -14.603 32.292 -9.493 1.00 43.83 O HETATM 1393 O HOH 65 -1.733 35.173 -10.708 1.00 53.34 O HETATM 1394 O HOH 66 -27.749 42.977 2.121 1.00 36.74 O HETATM 1395 O HOH 67 7.362 40.804 -9.290 1.00 50.33 O HETATM 1396 O HOH 68 6.635 42.930 -11.802 1.00 46.02 O HETATM 1397 O HOH 69 -33.797 42.720 6.294 1.00 67.51 O HETATM 1398 O HOH 70 -6.185 28.980 -4.840 1.00 53.21 O HETATM 1399 O HOH 71 -13.071 47.583 -4.903 1.00 50.61 O HETATM 1400 O HOH 72 5.610 38.910 -8.806 1.00 47.85 O HETATM 1401 O HOH 73 11.357 48.265 -2.228 1.00 44.26 O HETATM 1402 O HOH 74 -6.870 34.102 6.915 1.00 47.08 O HETATM 1403 O HOH 75 -2.133 28.192 -9.709 1.00 68.64 O HETATM 1404 O HOH 76 -32.273 41.497 8.337 1.00 47.05 O HETATM 1405 O HOH 77 -15.718 48.322 -5.315 1.00 43.26 O HETATM 1406 O HOH 78 -1.608 38.819 -13.533 1.00 23.91 O HETATM 1407 O HOH 79 -27.538 33.544 -0.957 1.00 37.80 O HETATM 1408 O HOH 80 -18.398 49.038 0.062 1.00 40.19 O HETATM 1409 O HOH 81 -0.075 46.653 -0.114 1.00 30.72 O HETATM 1410 O HOH 82 -30.668 29.647 14.329 1.00 61.60 O HETATM 1411 O HOH 83 -26.001 31.130 11.405 1.00 45.25 O HETATM 1412 O HOH 84 -2.740 52.136 -2.989 1.00 40.04 O HETATM 1413 O HOH 85 -20.564 38.417 -5.172 1.00 39.91 O HETATM 1414 O HOH 86 -19.446 34.622 15.543 1.00 56.27 O HETATM 1415 O HOH 87 -2.926 49.411 11.946 1.00 58.32 O HETATM 1416 O HOH 88 12.985 38.234 -8.549 1.00 58.75 O HETATM 1417 O HOH 89 -14.168 28.638 4.800 1.00 66.12 O HETATM 1418 O HOH 90 10.509 45.378 -11.105 1.00 59.39 O HETATM 1419 O HOH 91 -36.684 32.285 11.159 1.00 33.19 O HETATM 1420 O HOH 92 -13.443 36.193 12.662 1.00 40.06 O HETATM 1421 O HOH 93 -15.973 33.989 9.894 1.00 41.89 O HETATM 1422 O HOH 94 -18.374 38.053 -9.496 1.00 45.98 O HETATM 1423 O HOH 95 -28.845 47.318 8.268 1.00 42.13 O HETATM 1424 O HOH 96 -17.741 35.754 -9.855 1.00 57.18 O HETATM 1425 O HOH 97 -7.990 54.481 2.022 1.00 43.56 O HETATM 1426 O HOH 98 -15.634 29.371 2.885 1.00 43.75 O HETATM 1427 O HOH 99 -15.132 42.100 16.671 1.00 48.32 O HETATM 1428 O HOH 100 -4.208 44.014 8.120 1.00 63.54 O HETATM 1429 O HOH 101 -23.002 30.550 1.507 1.00 50.26 O HETATM 1430 O HOH 102 -2.820 27.739 -7.651 1.00 47.97 O HETATM 1431 O HOH 103 -12.989 40.285 17.232 1.00 57.18 O HETATM 1432 O HOH 104 -1.239 46.372 8.353 1.00 59.57 O HETATM 1433 O HOH 105 -2.115 32.405 -12.284 1.00 55.15 O HETATM 1434 O HOH 106 -30.987 31.033 16.592 1.00 71.15 O HETATM 1435 O HOH 107 -33.613 33.153 19.619 1.00 50.49 O HETATM 1436 O HOH 108 -35.962 40.662 16.005 1.00 62.64 O HETATM 1437 O HOH 109 -8.161 47.868 11.007 1.00 42.52 O HETATM 1438 O HOH 110 -10.275 35.254 11.036 1.00 60.10 O HETATM 1439 O HOH 111 -23.616 51.364 -0.279 1.00 57.85 O HETATM 1440 O HOH 112 -3.623 54.517 -2.669 1.00 50.83 O HETATM 1441 O HOH 113 -29.107 31.339 9.170 1.00 39.38 O HETATM 1442 O HOH 114 -19.798 30.422 -2.351 1.00 49.52 O HETATM 1443 O HOH 115 -18.008 49.088 -5.332 1.00 57.79 O HETATM 1444 O HOH 116 -7.380 42.566 21.329 1.00 48.55 O HETATM 1445 O HOH 117 -3.771 34.791 -12.331 1.00 69.79 O HETATM 1446 O HOH 118 -28.834 49.941 22.387 1.00 49.47 O HETATM 1447 O HOH 119 -27.292 31.176 15.877 1.00 70.07 O HETATM 1448 O HOH 120 -26.497 40.553 -7.412 1.00 40.85 O HETATM 1449 O HOH 121 -16.688 42.017 22.744 1.00 49.40 O HETATM 1450 O HOH 122 -19.476 48.204 10.689 1.00 50.46 O HETATM 1451 O HOH 123 -35.990 36.502 18.031 1.00 60.06 O HETATM 1452 O HOH 124 -11.608 46.412 -8.795 1.00 33.26 O HETATM 1453 O HOH 125 -16.642 31.610 -7.142 1.00 55.99 O HETATM 1454 O HOH 126 1.344 25.449 -6.510 1.00 55.76 O HETATM 1455 O HOH 127 -34.919 35.474 19.747 1.00 75.28 O HETATM 1456 O HOH 128 7.532 47.281 -2.021 1.00 58.12 O HETATM 1457 O HOH 129 -18.509 28.100 -1.041 1.00 56.90 O HETATM 1458 O HOH 130 10.259 33.736 4.179 1.00 41.77 O HETATM 1459 O HOH 131 4.456 52.304 -0.209 1.00 50.94 O HETATM 1460 O HOH 132 -22.357 31.332 -1.044 1.00 49.86 O HETATM 1461 O HOH 133 2.958 51.748 -5.514 1.00 57.84 O HETATM 1462 O HOH 134 2.626 47.442 0.321 1.00 38.32 O HETATM 1463 O HOH 135 9.012 35.231 9.076 1.00 50.01 O HETATM 1464 O HOH 136 -5.064 30.001 -2.940 1.00 67.47 O HETATM 1465 O HOH 137 -26.153 31.226 -0.571 1.00 49.55 O HETATM 1466 O HOH 138 -21.024 35.718 -6.187 1.00 51.41 O HETATM 1467 O HOH 139 -10.150 50.872 7.953 1.00 45.76 O HETATM 1468 O HOH 140 -11.191 55.530 5.963 1.00 62.36 O HETATM 1469 O HOH 141 -8.520 42.295 -12.008 1.00 23.14 O HETATM 1470 O HOH 142 14.938 38.423 4.785 1.00 54.66 O HETATM 1471 O HOH 143 -5.291 49.694 11.894 1.00 60.29 O HETATM 1472 O HOH 144 -17.462 35.468 17.183 1.00 50.78 O HETATM 1473 O HOH 145 -14.163 27.519 -1.088 1.00 37.68 O HETATM 1474 O HOH 146 9.673 39.430 -6.833 1.00 53.25 O HETATM 1475 O HOH 147 -30.571 29.796 10.169 1.00 67.06 O HETATM 1476 O HOH 148 -12.853 48.595 -7.303 1.00 38.50 O HETATM 1477 O HOH 149 -12.292 49.453 15.913 1.00 39.26 O HETATM 1478 O HOH 150 12.426 37.827 10.663 1.00 47.02 O HETATM 1479 O HOH 151 -11.887 25.858 -6.903 1.00 54.25 O HETATM 1480 O HOH 152 -7.481 31.263 4.526 1.00 63.08 O HETATM 1481 O HOH 153 -5.869 32.616 9.019 1.00 47.02 O HETATM 1482 O HOH 154 4.409 51.385 2.197 1.00 50.23 O HETATM 1483 O HOH 155 14.807 47.721 -9.445 1.00 53.47 O HETATM 1484 O HOH 156 -24.889 54.011 0.887 1.00 57.22 O HETATM 1485 O HOH 157 -11.024 49.059 9.487 1.00 54.26 O HETATM 1486 O HOH 158 0.567 49.645 7.185 1.00 70.35 O HETATM 1487 O HOH 159 -29.941 44.786 5.667 1.00 60.27 O HETATM 1488 O HOH 160 3.751 52.705 -2.968 1.00 62.19 O HETATM 1489 O HOH 161 3.795 49.879 -7.768 1.00 56.40 O HETATM 1490 O HOH 162 -8.859 52.636 6.728 1.00 46.16 O HETATM 1491 O HOH 163 -14.897 26.860 -3.400 1.00 39.99 O HETATM 1492 O HOH 164 -35.530 32.277 8.804 1.00 55.85 O HETATM 1493 O HOH 165 -18.287 33.374 13.814 1.00 50.33 O HETATM 1494 O HOH 166 -26.455 46.324 -3.560 1.00 48.04 O HETATM 1495 O HOH 167 5.815 44.070 6.555 1.00 60.17 O HETATM 1496 O HOH 168 -27.719 46.271 -7.704 1.00 52.48 O HETATM 1497 O HOH 169 -2.897 29.944 -1.361 1.00 41.38 O HETATM 1498 O HOH 170 -13.010 35.619 15.734 1.00 71.03 O HETATM 1499 O HOH 171 -10.917 26.986 0.008 1.00 58.89 O HETATM 1500 O HOH 172 15.741 40.813 8.969 1.00 55.62 O HETATM 1501 O HOH 173 4.864 47.871 -0.935 1.00 55.95 O HETATM 1502 O HOH 174 -11.752 49.573 -4.654 1.00 59.46 O HETATM 1503 O HOH 175 -7.838 24.486 -3.395 1.00 69.81 O HETATM 1504 O HOH 176 -19.409 30.833 -5.014 1.00 41.99 O HETATM 1505 O HOH 177 -13.727 33.534 12.674 1.00 49.35 O HETATM 1506 O HOH 178 -24.546 53.194 -3.940 1.00 71.96 O HETATM 1507 O HOH 179 -17.259 52.020 16.817 1.00 59.87 O HETATM 1508 O HOH 180 -18.515 33.518 -7.111 1.00 60.90 O HETATM 1509 O HOH 181 -19.135 49.778 -2.410 1.00 49.07 O HETATM 1510 O HOH 182 -33.674 44.934 -4.744 1.00 50.42 O HETATM 1511 O HOH 183 -14.572 33.569 15.426 1.00 54.37 O HETATM 1512 O HOH 184 -15.037 56.575 0.590 1.00 53.28 O HETATM 1513 O HOH 185 -9.731 27.813 5.033 1.00 55.70 O HETATM 1514 O HOH 186 -17.077 48.747 -2.963 1.00 57.27 O HETATM 1515 O HOH 187 -5.352 31.484 0.302 1.00 51.18 O HETATM 1516 O HOH 188 -7.998 30.142 0.750 1.00 66.32 O HETATM 1517 O HOH 189 -29.905 50.145 -5.111 1.00 57.53 O HETATM 1518 O HOH 190 -17.419 26.829 -3.852 1.00 54.49 O HETATM 1519 O HOH 191 -8.382 26.980 -0.896 1.00 68.59 O HETATM 1520 O HOH 192 -23.354 26.860 -1.022 1.00 60.48 O HETATM 1521 O HOH 193 -14.010 50.704 -4.628 1.00 64.68 O HETATM 1522 O HOH 194 -10.501 35.843 16.688 1.00 50.00 O HETATM 1523 O HOH 195 -5.385 26.245 8.570 1.00 72.88 O HETATM 1524 C13 KVZ A 196 -23.381 44.719 9.796 1.00 0.11 C HETATM 1525 S10 KVZ A 196 -24.393 43.600 10.755 1.00 0.07 S HETATM 1526 N05 KVZ A 196 -25.898 44.213 10.781 1.00 -0.24 N HETATM 1527 C01 KVZ A 196 -26.728 44.155 9.569 1.00 0.02 C HETATM 1528 H3 KVZ A 196 -27.707 44.614 9.773 1.00 0.04 H HETATM 1529 H4 KVZ A 196 -26.870 43.105 9.272 1.00 0.04 H HETATM 1530 H5 KVZ A 196 -26.229 44.702 8.756 1.00 0.04 H HETATM 1531 C06 KVZ A 196 -26.264 45.228 11.780 1.00 0.02 C HETATM 1532 H6 KVZ A 196 -27.316 45.518 11.640 1.00 0.04 H HETATM 1533 H7 KVZ A 196 -25.620 46.112 11.658 1.00 0.04 H HETATM 1534 H8 KVZ A 196 -26.130 44.814 12.790 1.00 0.04 H HETATM 1535 O11 KVZ A 196 -24.455 42.370 10.030 1.00 -0.15 O HETATM 1536 O12 KVZ A 196 -23.925 43.597 12.110 1.00 -0.15 O HETATM 1537 C14 KVZ A 196 -23.984 45.880 9.309 1.00 -0.01 C HETATM 1538 C16 KVZ A 196 -23.252 46.802 8.561 1.00 0.07 C HETATM 1539 N17 KVZ A 196 -23.763 47.995 7.982 1.00 -0.23 N HETATM 1540 C19 KVZ A 196 -25.006 48.545 8.037 1.00 0.23 C HETATM 1541 C21 KVZ A 196 -25.153 49.817 7.198 1.00 0.15 C HETATM 1542 N24 KVZ A 196 -26.195 50.834 7.357 1.00 -0.16 N HETATM 1543 C25 KVZ A 196 -26.409 51.582 8.506 1.00 0.28 C HETATM 1544 O26 KVZ A 196 -25.830 51.445 9.569 1.00 -0.39 O HETATM 1545 N27 KVZ A 196 -27.406 52.462 8.234 1.00 -0.29 N HETATM 1546 C29 KVZ A 196 -27.886 52.418 6.851 1.00 0.13 C HETATM 1547 C30 KVZ A 196 -27.518 53.710 6.088 1.00 -0.04 C HETATM 1548 C33 KVZ A 196 -28.603 54.773 6.102 1.00 -0.04 C HETATM 1549 C36 KVZ A 196 -29.830 54.221 5.419 1.00 -0.00 C HETATM 1550 C39 KVZ A 196 -30.283 52.955 6.089 1.00 -0.01 C HETATM 1551 C40 KVZ A 196 -31.634 52.616 6.052 1.00 -0.03 C HETATM 1552 C42 KVZ A 196 -32.096 51.464 6.659 1.00 -0.04 C HETATM 1553 C44 KVZ A 196 -31.219 50.635 7.315 1.00 -0.04 C HETATM 1554 C46 KVZ A 196 -29.870 50.951 7.368 1.00 -0.04 C HETATM 1555 C48 KVZ A 196 -29.381 52.102 6.751 1.00 -0.01 C HETATM 1556 H21 KVZ A 196 -29.187 50.295 7.896 1.00 0.08 H HETATM 1557 H20 KVZ A 196 -31.582 49.732 7.792 1.00 0.07 H HETATM 1558 H19 KVZ A 196 -33.150 51.215 6.617 1.00 0.08 H HETATM 1559 H18 KVZ A 196 -32.333 53.266 5.539 1.00 0.06 H HETATM 1560 H16 KVZ A 196 -29.593 54.008 4.366 1.00 0.05 H HETATM 1561 H17 KVZ A 196 -30.638 54.966 5.470 1.00 0.05 H HETATM 1562 H14 KVZ A 196 -28.252 55.667 5.566 1.00 0.03 H HETATM 1563 H15 KVZ A 196 -28.846 55.040 7.141 1.00 0.03 H HETATM 1564 H12 KVZ A 196 -27.309 53.445 5.041 1.00 0.02 H HETATM 1565 H13 KVZ A 196 -26.613 54.135 6.546 1.00 0.02 H HETATM 1566 C49 KVZ A 196 -27.018 51.245 6.330 1.00 0.22 C HETATM 1567 O50 KVZ A 196 -27.010 50.803 5.195 1.00 -0.36 O HETATM 1568 H11 KVZ A 196 -27.781 53.087 8.919 1.00 0.17 H HETATM 1569 H1 KVZ A 196 -25.245 49.469 6.159 1.00 0.08 H HETATM 1570 H2 KVZ A 196 -24.202 50.356 7.321 1.00 0.08 H HETATM 1571 O20 KVZ A 196 -25.941 48.069 8.672 1.00 -0.38 O HETATM 1572 H10 KVZ A 196 -23.099 48.516 7.446 1.00 0.23 H HETATM 1573 C51 KVZ A 196 -21.920 46.542 8.263 1.00 -0.04 C HETATM 1574 C53 KVZ A 196 -21.308 45.399 8.736 1.00 -0.06 C HETATM 1575 C55 KVZ A 196 -22.021 44.488 9.496 1.00 0.05 C HETATM 1576 CL1 KVZ A 196 -21.187 43.058 10.032 1.00 -0.08 CL HETATM 1577 H23 KVZ A 196 -20.264 45.214 8.511 1.00 0.06 H HETATM 1578 H22 KVZ A 196 -21.358 47.242 7.655 1.00 0.05 H HETATM 1579 H9 KVZ A 196 -25.032 46.067 9.514 1.00 0.05 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1524 1525 1537 1575 CONECT 1525 1524 1526 1535 1536 CONECT 1526 1525 1527 1531 CONECT 1527 1526 1528 1529 1530 CONECT 1528 1527 CONECT 1529 1527 CONECT 1530 1527 CONECT 1531 1526 1532 1533 1534 CONECT 1532 1531 CONECT 1533 1531 CONECT 1534 1531 CONECT 1535 1525 CONECT 1536 1525 CONECT 1537 1524 1538 1579 CONECT 1538 1537 1539 1573 CONECT 1539 1538 1540 1572 CONECT 1540 1539 1541 1571 CONECT 1541 1540 1542 1569 1570 CONECT 1542 1541 1543 1566 CONECT 1543 1542 1544 1545 CONECT 1544 1543 CONECT 1545 1543 1546 1568 CONECT 1546 1545 1547 1555 1566 CONECT 1547 1546 1548 1564 1565 CONECT 1548 1547 1549 1562 1563 CONECT 1549 1548 1550 1560 1561 CONECT 1550 1549 1551 1555 CONECT 1551 1550 1552 1559 CONECT 1552 1551 1553 1558 CONECT 1553 1552 1554 1557 CONECT 1554 1553 1555 1556 CONECT 1555 1546 1550 1554 CONECT 1556 1554 CONECT 1557 1553 CONECT 1558 1552 CONECT 1559 1551 CONECT 1560 1549 CONECT 1561 1549 CONECT 1562 1548 CONECT 1563 1548 CONECT 1564 1547 CONECT 1565 1547 CONECT 1566 1542 1546 1567 CONECT 1567 1566 CONECT 1568 1545 CONECT 1569 1541 CONECT 1570 1541 CONECT 1571 1540 CONECT 1572 1539 CONECT 1573 1538 1574 1578 CONECT 1574 1573 1575 1577 CONECT 1575 1524 1574 1576 CONECT 1576 1575 CONECT 1577 1574 CONECT 1578 1573 CONECT 1579 1537 MASTER 0 0 0 0 0 0 0 0 1578 1 60 10 END
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Structure:
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130aa, >5A5Q_1|Chain... at 100%
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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
6s56
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human ATAD2 bromodomain
Ligand Name
KVZ
EC.Number
E.C.3.6.1.3
Resolution
2.01(Å)
Affinity (Kd/Ki/IC50)
Kd=8uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 7506-7525
Ligand Properties
Formula
C
2
2
H
2
3
ClN
4
O
5
S
Molecular Weight
490.960
Exact Mass
490.108
No. of atoms
56
No. of bonds
59
Polar Surface Area
124.27
LOGP Value
2.08 (
Computed with XLOGP3
)
3.73 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
Canonical SMILES
O=C(CN1C(=O)N[C@]2(C1=O)CCCc1c2cccc1)Nc1ccc(c(c1)S(=O)(=O)N(C)C)Cl
InChI String
InChI=1S/C22H23ClN4O5S/c1-26(2)33(31,32)18-12-15(9-10-17(18)23)24-19(28)13-27-20(29)22(25-21(27)30)11-5-7-14-6-3-4-8-16(14)22/h3-4,6,8-10,12H,5,7,11,13H2,1-2H3,(H,24,28)(H,25,30)/t22-/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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