Browse entries in the PDBbind-CN Database
HEADER 5A5P_COMPLEX COMPND 5A5P_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 JTF A 346 38 ATOM 1 N SER A 979 12.746 45.960 -3.353 1.00 50.26 N ATOM 2 CA SER A 979 13.090 46.163 -4.789 1.00 51.00 C ATOM 3 C SER A 979 11.863 46.565 -5.604 1.00 52.49 C ATOM 4 O SER A 979 10.740 46.557 -5.097 1.00 50.25 O ATOM 5 CB SER A 979 13.688 44.881 -5.373 1.00 50.21 C ATOM 6 OG SER A 979 12.705 43.866 -5.497 1.00 46.13 O ATOM 7 HG SER A 979 13.120 43.051 -5.876 1.00 0.00 H ATOM 8 HN3 SER A 979 12.034 45.207 -3.272 1.00 0.00 H ATOM 9 HN2 SER A 979 12.364 46.844 -2.961 1.00 0.00 H ATOM 10 HN1 SER A 979 13.602 45.688 -2.828 1.00 0.00 H ATOM 11 N MET A 980 12.094 46.909 -6.871 1.00 55.42 N ATOM 12 CA MET A 980 11.011 47.220 -7.806 1.00 56.96 C ATOM 13 C MET A 980 10.144 45.988 -8.060 1.00 51.24 C ATOM 14 O MET A 980 8.927 46.102 -8.167 1.00 48.41 O ATOM 15 CB MET A 980 11.570 47.726 -9.143 1.00 63.26 C ATOM 16 CG MET A 980 10.530 48.391 -10.042 1.00 68.84 C ATOM 17 SD MET A 980 10.916 48.286 -11.804 1.00 78.02 S ATOM 18 CE MET A 980 10.567 46.558 -12.128 1.00 73.93 C ATOM 19 H MET A 980 13.077 46.958 -7.207 1.00 0.00 H ATOM 20 N GLN A 981 10.780 44.821 -8.151 1.00 49.07 N ATOM 21 CA GLN A 981 10.074 43.566 -8.430 1.00 47.23 C ATOM 22 C GLN A 981 9.137 43.185 -7.283 1.00 42.28 C ATOM 23 O GLN A 981 8.043 42.662 -7.512 1.00 39.56 O ATOM 24 CB GLN A 981 11.061 42.418 -8.686 1.00 50.85 C ATOM 25 CG GLN A 981 12.067 42.672 -9.804 1.00 53.59 C ATOM 26 CD GLN A 981 13.377 43.262 -9.302 1.00 57.46 C ATOM 27 OE1 GLN A 981 14.067 42.660 -8.477 1.00 59.85 O ATOM 28 NE2 GLN A 981 13.725 44.445 -9.798 1.00 59.53 N ATOM 29 HE22 GLN A 981 13.113 44.918 -10.493 1.00 0.00 H ATOM 30 HE21 GLN A 981 14.610 44.898 -9.491 1.00 0.00 H ATOM 31 H GLN A 981 11.811 44.799 -8.020 1.00 0.00 H ATOM 32 N GLU A 982 9.575 43.440 -6.054 1.00 38.78 N ATOM 33 CA GLU A 982 8.746 43.200 -4.877 1.00 37.48 C ATOM 34 C GLU A 982 7.599 44.205 -4.807 1.00 34.17 C ATOM 35 O GLU A 982 6.471 43.839 -4.478 1.00 30.77 O ATOM 36 CB GLU A 982 9.592 43.249 -3.603 1.00 39.08 C ATOM 37 CG GLU A 982 10.584 42.098 -3.517 1.00 41.29 C ATOM 38 CD GLU A 982 11.500 42.176 -2.309 1.00 43.05 C ATOM 39 OE1 GLU A 982 11.537 43.232 -1.639 1.00 43.74 O ATOM 40 OE2 GLU A 982 12.189 41.171 -2.036 1.00 42.99 O ATOM 41 H GLU A 982 10.534 43.821 -5.928 1.00 0.00 H ATOM 42 N GLU A 983 7.889 45.466 -5.122 1.00 33.30 N ATOM 43 CA GLU A 983 6.850 46.494 -5.206 1.00 34.53 C ATOM 44 C GLU A 983 5.821 46.161 -6.291 1.00 29.76 C ATOM 45 O GLU A 983 4.628 46.374 -6.097 1.00 27.66 O ATOM 46 CB GLU A 983 7.464 47.873 -5.460 1.00 38.87 C ATOM 47 CG GLU A 983 8.170 48.456 -4.243 1.00 44.77 C ATOM 48 CD GLU A 983 8.931 49.736 -4.548 1.00 50.25 C ATOM 49 OE1 GLU A 983 8.730 50.315 -5.640 1.00 52.95 O ATOM 50 OE2 GLU A 983 9.731 50.169 -3.689 1.00 54.79 O ATOM 51 H GLU A 983 8.877 45.727 -5.313 1.00 0.00 H ATOM 52 N ASP A 984 6.293 45.647 -7.425 1.00 27.62 N ATOM 53 CA ASP A 984 5.412 45.164 -8.491 1.00 27.43 C ATOM 54 C ASP A 984 4.508 44.025 -7.994 1.00 24.47 C ATOM 55 O ASP A 984 3.325 43.967 -8.334 1.00 22.49 O ATOM 56 CB ASP A 984 6.228 44.658 -9.687 1.00 29.52 C ATOM 57 CG ASP A 984 6.874 45.781 -10.493 1.00 33.21 C ATOM 58 OD1 ASP A 984 6.619 46.971 -10.213 1.00 33.94 O ATOM 59 OD2 ASP A 984 7.647 45.454 -11.418 1.00 37.22 O ATOM 60 H ASP A 984 7.323 45.586 -7.559 1.00 0.00 H ATOM 61 N THR A 985 5.080 43.119 -7.203 1.00 22.49 N ATOM 62 CA THR A 985 4.328 41.998 -6.654 1.00 21.80 C ATOM 63 C THR A 985 3.183 42.480 -5.778 1.00 21.09 C ATOM 64 O THR A 985 2.046 42.070 -5.971 1.00 19.53 O ATOM 65 CB THR A 985 5.218 41.049 -5.831 1.00 21.90 C ATOM 66 OG1 THR A 985 6.230 40.502 -6.678 1.00 21.86 O ATOM 67 CG2 THR A 985 4.382 39.907 -5.227 1.00 21.59 C ATOM 68 HG1 THR A 985 5.804 40.001 -7.418 1.00 0.00 H ATOM 69 H THR A 985 6.089 43.214 -6.971 1.00 0.00 H ATOM 70 N PHE A 986 3.486 43.356 -4.823 1.00 21.67 N ATOM 71 CA PHE A 986 2.455 43.870 -3.931 1.00 22.32 C ATOM 72 C PHE A 986 1.419 44.711 -4.672 1.00 21.72 C ATOM 73 O PHE A 986 0.259 44.742 -4.274 1.00 20.60 O ATOM 74 CB PHE A 986 3.066 44.668 -2.778 1.00 23.54 C ATOM 75 CG PHE A 986 3.823 43.821 -1.790 1.00 24.85 C ATOM 76 CD1 PHE A 986 3.260 42.662 -1.264 1.00 24.90 C ATOM 77 CD2 PHE A 986 5.088 44.193 -1.365 1.00 26.18 C ATOM 78 CE1 PHE A 986 3.952 41.887 -0.348 1.00 25.57 C ATOM 79 CE2 PHE A 986 5.780 43.424 -0.443 1.00 27.01 C ATOM 80 CZ PHE A 986 5.213 42.270 0.065 1.00 26.44 C ATOM 81 H PHE A 986 4.469 43.677 -4.712 1.00 0.00 H ATOM 82 N ARG A 987 1.831 45.394 -5.735 1.00 22.18 N ATOM 83 CA ARG A 987 0.881 46.136 -6.564 1.00 23.29 C ATOM 84 C ARG A 987 -0.110 45.194 -7.251 1.00 20.44 C ATOM 85 O ARG A 987 -1.312 45.483 -7.294 1.00 19.11 O ATOM 86 CB ARG A 987 1.601 46.989 -7.604 1.00 26.66 C ATOM 87 CG ARG A 987 0.654 47.875 -8.392 1.00 29.55 C ATOM 88 CD ARG A 987 1.365 49.044 -9.049 1.00 34.40 C ATOM 89 NE ARG A 987 0.389 49.932 -9.680 1.00 38.48 N ATOM 90 CZ ARG A 987 -0.085 49.805 -10.920 1.00 40.54 C ATOM 91 NH1 ARG A 987 0.325 48.824 -11.729 1.00 40.09 N ATOM 92 NH2 ARG A 987 -0.977 50.684 -11.364 1.00 42.31 N ATOM 93 HE ARG A 987 0.035 50.729 -9.114 1.00 0.00 H ATOM 94 HH12 ARG A 987 -0.061 48.748 -12.692 1.00 0.00 H ATOM 95 HH11 ARG A 987 1.030 48.136 -11.396 1.00 0.00 H ATOM 96 HH22 ARG A 987 -1.356 50.598 -12.329 1.00 0.00 H ATOM 97 HH21 ARG A 987 -1.296 51.458 -10.747 1.00 0.00 H ATOM 98 H ARG A 987 2.842 45.401 -5.981 1.00 0.00 H ATOM 99 N GLU A 988 0.386 44.074 -7.778 1.00 18.56 N ATOM 100 CA GLU A 988 -0.496 43.072 -8.388 1.00 17.88 C ATOM 101 C GLU A 988 -1.462 42.500 -7.351 1.00 17.12 C ATOM 102 O GLU A 988 -2.643 42.297 -7.646 1.00 16.23 O ATOM 103 CB GLU A 988 0.286 41.943 -9.081 1.00 18.08 C ATOM 104 CG GLU A 988 -0.629 40.826 -9.597 1.00 17.84 C ATOM 105 CD GLU A 988 0.030 39.891 -10.591 1.00 18.73 C ATOM 106 OE1 GLU A 988 1.180 40.145 -10.998 1.00 18.51 O ATOM 107 OE2 GLU A 988 -0.618 38.894 -10.977 1.00 19.28 O ATOM 108 H GLU A 988 1.412 43.908 -7.756 1.00 0.00 H ATOM 109 N LEU A 989 -0.955 42.257 -6.141 1.00 16.97 N ATOM 110 CA LEU A 989 -1.787 41.814 -5.026 1.00 16.51 C ATOM 111 C LEU A 989 -2.937 42.786 -4.789 1.00 16.56 C ATOM 112 O LEU A 989 -4.081 42.371 -4.691 1.00 15.87 O ATOM 113 CB LEU A 989 -0.957 41.677 -3.740 1.00 16.88 C ATOM 114 CG LEU A 989 -1.728 41.339 -2.455 1.00 16.67 C ATOM 115 CD1 LEU A 989 -2.403 39.978 -2.559 1.00 16.17 C ATOM 116 CD2 LEU A 989 -0.816 41.407 -1.238 1.00 17.17 C ATOM 117 H LEU A 989 0.065 42.387 -5.987 1.00 0.00 H ATOM 118 N ARG A 990 -2.629 44.077 -4.696 1.00 16.93 N ATOM 119 CA ARG A 990 -3.650 45.085 -4.429 1.00 17.12 C ATOM 120 C ARG A 990 -4.699 45.131 -5.534 1.00 16.94 C ATOM 121 O ARG A 990 -5.892 45.223 -5.256 1.00 17.44 O ATOM 122 CB ARG A 990 -3.020 46.471 -4.241 1.00 18.05 C ATOM 123 CG ARG A 990 -2.154 46.596 -2.998 1.00 18.53 C ATOM 124 CD ARG A 990 -1.812 48.050 -2.705 1.00 19.49 C ATOM 125 NE ARG A 990 -0.978 48.654 -3.746 1.00 19.93 N ATOM 126 CZ ARG A 990 0.353 48.600 -3.796 1.00 20.28 C ATOM 127 NH1 ARG A 990 1.052 47.940 -2.878 1.00 20.23 N ATOM 128 NH2 ARG A 990 0.994 49.201 -4.791 1.00 20.69 N ATOM 129 HE ARG A 990 -1.464 49.167 -4.509 1.00 0.00 H ATOM 130 HH12 ARG A 990 2.090 47.911 -2.936 1.00 0.00 H ATOM 131 HH11 ARG A 990 0.561 47.453 -2.101 1.00 0.00 H ATOM 132 HH22 ARG A 990 2.032 49.164 -4.838 1.00 0.00 H ATOM 133 HH21 ARG A 990 0.458 49.709 -5.523 1.00 0.00 H ATOM 134 H ARG A 990 -1.640 44.374 -4.816 1.00 0.00 H ATOM 135 N ILE A 991 -4.249 45.051 -6.783 1.00 16.64 N ATOM 136 CA ILE A 991 -5.149 44.989 -7.934 1.00 16.19 C ATOM 137 C ILE A 991 -6.085 43.774 -7.835 1.00 15.31 C ATOM 138 O ILE A 991 -7.307 43.901 -7.987 1.00 15.02 O ATOM 139 CB ILE A 991 -4.354 44.960 -9.255 1.00 16.31 C ATOM 140 CG1 ILE A 991 -3.658 46.308 -9.483 1.00 17.14 C ATOM 141 CG2 ILE A 991 -5.268 44.642 -10.433 1.00 16.09 C ATOM 142 CD1 ILE A 991 -2.542 46.249 -10.503 1.00 17.13 C ATOM 143 H ILE A 991 -3.222 45.032 -6.947 1.00 0.00 H ATOM 144 N PHE A 992 -5.509 42.611 -7.553 1.00 15.01 N ATOM 145 CA PHE A 992 -6.284 41.385 -7.344 1.00 15.09 C ATOM 146 C PHE A 992 -7.306 41.536 -6.204 1.00 14.93 C ATOM 147 O PHE A 992 -8.488 41.207 -6.371 1.00 14.96 O ATOM 148 CB PHE A 992 -5.335 40.208 -7.078 1.00 15.23 C ATOM 149 CG PHE A 992 -6.035 38.931 -6.714 1.00 15.35 C ATOM 150 CD1 PHE A 992 -6.699 38.190 -7.682 1.00 16.10 C ATOM 151 CD2 PHE A 992 -6.031 38.465 -5.404 1.00 15.78 C ATOM 152 CE1 PHE A 992 -7.359 37.016 -7.354 1.00 15.84 C ATOM 153 CE2 PHE A 992 -6.682 37.285 -5.072 1.00 16.09 C ATOM 154 CZ PHE A 992 -7.343 36.560 -6.050 1.00 15.87 C ATOM 155 H PHE A 992 -4.473 42.569 -7.478 1.00 0.00 H ATOM 156 N LEU A 993 -6.859 42.049 -5.061 1.00 15.05 N ATOM 157 CA LEU A 993 -7.744 42.238 -3.905 1.00 15.19 C ATOM 158 C LEU A 993 -8.870 43.249 -4.141 1.00 15.47 C ATOM 159 O LEU A 993 -9.997 43.028 -3.695 1.00 15.12 O ATOM 160 CB LEU A 993 -6.944 42.624 -2.659 1.00 15.47 C ATOM 161 CG LEU A 993 -5.963 41.559 -2.153 1.00 15.45 C ATOM 162 CD1 LEU A 993 -5.204 42.060 -0.926 1.00 15.99 C ATOM 163 CD2 LEU A 993 -6.675 40.252 -1.853 1.00 15.05 C ATOM 164 H LEU A 993 -5.859 42.323 -4.984 1.00 0.00 H ATOM 165 N ARG A 994 -8.579 44.347 -4.838 1.00 16.18 N ATOM 166 CA ARG A 994 -9.628 45.306 -5.213 1.00 17.02 C ATOM 167 C ARG A 994 -10.679 44.661 -6.095 1.00 16.72 C ATOM 168 O ARG A 994 -11.870 44.924 -5.947 1.00 17.41 O ATOM 169 CB ARG A 994 -9.062 46.505 -5.968 1.00 18.13 C ATOM 170 CG ARG A 994 -8.369 47.508 -5.094 1.00 19.39 C ATOM 171 CD ARG A 994 -8.016 48.770 -5.853 1.00 20.25 C ATOM 172 NE ARG A 994 -6.923 49.427 -5.158 1.00 20.79 N ATOM 173 CZ ARG A 994 -5.639 49.363 -5.487 1.00 20.97 C ATOM 174 NH1 ARG A 994 -5.221 48.708 -6.567 1.00 20.33 N ATOM 175 NH2 ARG A 994 -4.760 49.996 -4.721 1.00 22.27 N ATOM 176 HE ARG A 994 -7.169 50.000 -4.326 1.00 0.00 H ATOM 177 HH12 ARG A 994 -4.207 48.677 -6.797 1.00 0.00 H ATOM 178 HH11 ARG A 994 -5.908 48.227 -7.182 1.00 0.00 H ATOM 179 HH22 ARG A 994 -3.747 49.963 -4.955 1.00 0.00 H ATOM 180 HH21 ARG A 994 -5.084 50.525 -3.886 1.00 0.00 H ATOM 181 H ARG A 994 -7.595 44.528 -5.121 1.00 0.00 H ATOM 182 N ASN A 995 -10.238 43.835 -7.032 1.00 16.68 N ATOM 183 CA ASN A 995 -11.166 43.184 -7.938 1.00 16.50 C ATOM 184 C ASN A 995 -12.085 42.212 -7.193 1.00 15.68 C ATOM 185 O ASN A 995 -13.302 42.255 -7.361 1.00 15.62 O ATOM 186 CB ASN A 995 -10.426 42.487 -9.064 1.00 17.70 C ATOM 187 CG ASN A 995 -11.361 41.725 -9.975 1.00 18.92 C ATOM 188 OD1 ASN A 995 -11.512 40.526 -9.835 1.00 18.38 O ATOM 189 ND2 ASN A 995 -12.024 42.433 -10.890 1.00 20.54 N ATOM 190 HD22 ASN A 995 -11.862 43.457 -10.973 1.00 0.00 H ATOM 191 HD21 ASN A 995 -12.703 41.961 -11.521 1.00 0.00 H ATOM 192 H ASN A 995 -9.218 43.651 -7.119 1.00 0.00 H ATOM 193 N VAL A 996 -11.511 41.360 -6.347 1.00 14.94 N ATOM 194 CA VAL A 996 -12.320 40.459 -5.513 1.00 14.26 C ATOM 195 C VAL A 996 -13.314 41.256 -4.652 1.00 14.39 C ATOM 196 O VAL A 996 -14.502 40.918 -4.582 1.00 14.44 O ATOM 197 CB VAL A 996 -11.451 39.573 -4.595 1.00 13.75 C ATOM 198 CG1 VAL A 996 -12.330 38.712 -3.682 1.00 13.58 C ATOM 199 CG2 VAL A 996 -10.519 38.692 -5.423 1.00 13.43 C ATOM 200 H VAL A 996 -10.474 41.331 -6.275 1.00 0.00 H ATOM 201 N THR A 997 -12.830 42.319 -4.018 1.00 14.68 N ATOM 202 CA THR A 997 -13.660 43.116 -3.112 1.00 15.40 C ATOM 203 C THR A 997 -14.799 43.803 -3.859 1.00 16.30 C ATOM 204 O THR A 997 -15.924 43.842 -3.366 1.00 16.52 O ATOM 205 CB THR A 997 -12.823 44.155 -2.345 1.00 15.54 C ATOM 206 OG1 THR A 997 -11.702 43.502 -1.742 1.00 15.56 O ATOM 207 CG2 THR A 997 -13.654 44.834 -1.260 1.00 15.93 C ATOM 208 HG1 THR A 997 -11.148 43.082 -2.447 1.00 0.00 H ATOM 209 H THR A 997 -11.838 42.592 -4.169 1.00 0.00 H ATOM 210 N HIS A 998 -14.505 44.321 -5.053 1.00 17.04 N ATOM 211 CA HIS A 998 -15.525 44.922 -5.912 1.00 18.57 C ATOM 212 C HIS A 998 -16.620 43.947 -6.251 1.00 17.88 C ATOM 213 O HIS A 998 -17.808 44.290 -6.210 1.00 18.09 O ATOM 214 CB HIS A 998 -14.894 45.470 -7.195 1.00 20.18 C ATOM 215 CG HIS A 998 -15.891 46.061 -8.161 1.00 21.97 C ATOM 216 ND1 HIS A 998 -16.483 47.252 -7.951 1.00 23.84 N ATOM 217 CD2 HIS A 998 -16.400 45.576 -9.364 1.00 23.79 C ATOM 218 CE1 HIS A 998 -17.324 47.521 -8.967 1.00 24.80 C ATOM 219 NE2 HIS A 998 -17.270 46.497 -9.835 1.00 24.47 N ATOM 220 H HIS A 998 -13.519 44.297 -5.383 1.00 0.00 H ATOM 221 N ARG A 999 -16.238 42.716 -6.583 1.00 17.23 N ATOM 222 CA ARG A 999 -17.215 41.692 -6.956 1.00 16.99 C ATOM 223 C ARG A 999 -18.106 41.285 -5.786 1.00 16.79 C ATOM 224 O ARG A 999 -19.289 41.017 -5.973 1.00 17.69 O ATOM 225 CB ARG A 999 -16.507 40.483 -7.569 1.00 16.91 C ATOM 226 CG ARG A 999 -15.998 40.780 -8.965 1.00 17.51 C ATOM 227 CD ARG A 999 -14.753 39.981 -9.307 1.00 16.83 C ATOM 228 NE ARG A 999 -15.061 38.571 -9.478 1.00 16.34 N ATOM 229 CZ ARG A 999 -14.150 37.615 -9.626 1.00 16.68 C ATOM 230 NH1 ARG A 999 -12.858 37.917 -9.633 1.00 16.37 N ATOM 231 NH2 ARG A 999 -14.540 36.353 -9.784 1.00 17.01 N ATOM 232 HE ARG A 999 -16.063 38.291 -9.485 1.00 0.00 H ATOM 233 HH12 ARG A 999 -12.149 37.165 -9.749 1.00 0.00 H ATOM 234 HH11 ARG A 999 -12.554 38.906 -9.522 1.00 0.00 H ATOM 235 HH22 ARG A 999 -13.832 35.600 -9.900 1.00 0.00 H ATOM 236 HH21 ARG A 999 -15.553 36.119 -9.791 1.00 0.00 H ATOM 237 H ARG A 999 -15.226 42.477 -6.577 1.00 0.00 H ATOM 238 N LEU A1000 -17.553 41.273 -4.577 1.00 16.67 N ATOM 239 CA LEU A1000 -18.358 41.053 -3.373 1.00 16.87 C ATOM 240 C LEU A1000 -19.297 42.238 -3.129 1.00 17.92 C ATOM 241 O LEU A1000 -20.496 42.055 -2.867 1.00 17.78 O ATOM 242 CB LEU A1000 -17.458 40.842 -2.150 1.00 16.32 C ATOM 243 CG LEU A1000 -16.549 39.616 -2.207 1.00 15.76 C ATOM 244 CD1 LEU A1000 -15.628 39.605 -1.003 1.00 15.63 C ATOM 245 CD2 LEU A1000 -17.355 38.326 -2.299 1.00 15.84 C ATOM 246 H LEU A1000 -16.528 41.423 -4.484 1.00 0.00 H ATOM 247 N ALA A1001 -18.749 43.447 -3.249 1.00 18.31 N ATOM 248 CA ALA A1001 -19.478 44.679 -2.938 1.00 19.42 C ATOM 249 C ALA A1001 -20.673 44.962 -3.852 1.00 20.98 C ATOM 250 O ALA A1001 -21.621 45.608 -3.418 1.00 22.18 O ATOM 251 CB ALA A1001 -18.525 45.873 -2.946 1.00 19.52 C ATOM 252 H ALA A1001 -17.765 43.519 -3.577 1.00 0.00 H ATOM 253 N ILE A1002 -20.630 44.501 -5.104 1.00 21.65 N ATOM 254 CA ILE A1002 -21.739 44.724 -6.040 1.00 23.00 C ATOM 255 C ILE A1002 -22.819 43.639 -5.956 1.00 24.25 C ATOM 256 O ILE A1002 -23.839 43.726 -6.639 1.00 25.16 O ATOM 257 CB ILE A1002 -21.264 44.863 -7.510 1.00 23.27 C ATOM 258 CG1 ILE A1002 -20.801 43.519 -8.089 1.00 23.00 C ATOM 259 CG2 ILE A1002 -20.172 45.915 -7.618 1.00 23.15 C ATOM 260 CD1 ILE A1002 -20.192 43.626 -9.472 1.00 23.38 C ATOM 261 H ILE A1002 -19.793 43.973 -5.423 1.00 0.00 H ATOM 262 N ASP A1003 -22.589 42.617 -5.136 1.00 23.71 N ATOM 263 CA ASP A1003 -23.566 41.557 -4.945 1.00 24.26 C ATOM 264 C ASP A1003 -24.630 42.034 -3.955 1.00 25.06 C ATOM 265 O ASP A1003 -24.316 42.384 -2.813 1.00 23.88 O ATOM 266 CB ASP A1003 -22.875 40.290 -4.444 1.00 24.08 C ATOM 267 CG ASP A1003 -23.770 39.063 -4.511 1.00 24.51 C ATOM 268 OD1 ASP A1003 -24.927 39.131 -4.049 1.00 24.82 O ATOM 269 OD2 ASP A1003 -23.299 38.017 -5.007 1.00 25.27 O ATOM 270 H ASP A1003 -21.688 42.575 -4.619 1.00 0.00 H ATOM 271 N LYS A1004 -25.885 42.031 -4.401 1.00 26.55 N ATOM 272 CA LYS A1004 -27.009 42.555 -3.615 1.00 28.04 C ATOM 273 C LYS A1004 -27.137 41.917 -2.231 1.00 25.71 C ATOM 274 O LYS A1004 -27.523 42.585 -1.284 1.00 25.06 O ATOM 275 CB LYS A1004 -28.326 42.382 -4.380 1.00 31.64 C ATOM 276 CG LYS A1004 -28.460 43.298 -5.585 1.00 36.40 C ATOM 277 CD LYS A1004 -29.754 43.043 -6.347 1.00 39.73 C ATOM 278 CE LYS A1004 -29.863 43.943 -7.569 1.00 42.47 C ATOM 279 NZ LYS A1004 -31.035 43.598 -8.425 1.00 45.08 N ATOM 280 HZ1 LYS A1004 -30.944 42.616 -8.755 1.00 0.00 H ATOM 281 HZ2 LYS A1004 -31.909 43.700 -7.871 1.00 0.00 H ATOM 282 HZ3 LYS A1004 -31.065 44.239 -9.244 1.00 0.00 H ATOM 283 H LYS A1004 -26.077 41.641 -5.346 1.00 0.00 H ATOM 284 N ARG A1005 -26.800 40.635 -2.119 1.00 24.97 N ATOM 285 CA ARG A1005 -26.821 39.937 -0.829 1.00 25.25 C ATOM 286 C ARG A1005 -25.923 40.582 0.220 1.00 24.66 C ATOM 287 O ARG A1005 -26.201 40.488 1.417 1.00 25.20 O ATOM 288 CB ARG A1005 -26.372 38.488 -0.994 1.00 25.70 C ATOM 289 CG ARG A1005 -27.314 37.627 -1.812 1.00 26.73 C ATOM 290 CD ARG A1005 -26.729 36.242 -1.990 1.00 27.06 C ATOM 291 NE ARG A1005 -25.502 36.274 -2.775 1.00 27.33 N ATOM 292 CZ ARG A1005 -24.689 35.236 -2.947 1.00 28.13 C ATOM 293 NH1 ARG A1005 -24.964 34.059 -2.391 1.00 28.98 N ATOM 294 NH2 ARG A1005 -23.591 35.375 -3.682 1.00 27.93 N ATOM 295 HE ARG A1005 -25.244 37.171 -3.233 1.00 0.00 H ATOM 296 HH12 ARG A1005 -24.321 33.254 -2.532 1.00 0.00 H ATOM 297 HH11 ARG A1005 -25.822 33.944 -1.815 1.00 0.00 H ATOM 298 HH22 ARG A1005 -22.952 34.566 -3.820 1.00 0.00 H ATOM 299 HH21 ARG A1005 -23.371 36.292 -4.120 1.00 0.00 H ATOM 300 H ARG A1005 -26.513 40.112 -2.971 1.00 0.00 H ATOM 301 N PHE A1006 -24.848 41.227 -0.226 1.00 23.56 N ATOM 302 CA PHE A1006 -23.810 41.701 0.683 1.00 22.99 C ATOM 303 C PHE A1006 -23.844 43.206 0.950 1.00 23.89 C ATOM 304 O PHE A1006 -22.899 43.754 1.525 1.00 23.30 O ATOM 305 CB PHE A1006 -22.442 41.275 0.153 1.00 21.43 C ATOM 306 CG PHE A1006 -22.350 39.808 -0.199 1.00 21.04 C ATOM 307 CD1 PHE A1006 -23.028 38.844 0.544 1.00 20.70 C ATOM 308 CD2 PHE A1006 -21.564 39.388 -1.264 1.00 20.17 C ATOM 309 CE1 PHE A1006 -22.938 37.501 0.214 1.00 20.62 C ATOM 310 CE2 PHE A1006 -21.469 38.049 -1.594 1.00 20.50 C ATOM 311 CZ PHE A1006 -22.153 37.101 -0.850 1.00 20.61 C ATOM 312 H PHE A1006 -24.745 41.397 -1.247 1.00 0.00 H ATOM 313 N ARG A1007 -24.938 43.863 0.566 1.00 25.46 N ATOM 314 CA ARG A1007 -25.078 45.312 0.729 1.00 27.94 C ATOM 315 C ARG A1007 -24.846 45.751 2.170 1.00 26.53 C ATOM 316 O ARG A1007 -24.198 46.768 2.414 1.00 26.17 O ATOM 317 CB ARG A1007 -26.462 45.789 0.263 1.00 32.41 C ATOM 318 CG ARG A1007 -26.677 47.294 0.396 1.00 36.54 C ATOM 319 CD ARG A1007 -28.141 47.694 0.254 1.00 42.62 C ATOM 320 NE ARG A1007 -28.498 48.092 -1.107 1.00 47.82 N ATOM 321 CZ ARG A1007 -29.718 48.481 -1.484 1.00 52.80 C ATOM 322 NH1 ARG A1007 -30.724 48.521 -0.609 1.00 54.56 N ATOM 323 NH2 ARG A1007 -29.939 48.828 -2.748 1.00 54.15 N ATOM 324 HE ARG A1007 -27.751 48.071 -1.830 1.00 0.00 H ATOM 325 HH12 ARG A1007 -31.669 48.826 -0.917 1.00 0.00 H ATOM 326 HH11 ARG A1007 -30.563 48.247 0.381 1.00 0.00 H ATOM 327 HH22 ARG A1007 -30.888 49.132 -3.046 1.00 0.00 H ATOM 328 HH21 ARG A1007 -29.163 48.796 -3.439 1.00 0.00 H ATOM 329 H ARG A1007 -25.719 43.328 0.136 1.00 0.00 H ATOM 330 N VAL A1008 -25.376 44.985 3.116 1.00 26.18 N ATOM 331 CA VAL A1008 -25.218 45.297 4.537 1.00 26.55 C ATOM 332 C VAL A1008 -23.749 45.304 4.992 1.00 25.71 C ATOM 333 O VAL A1008 -23.414 45.947 5.988 1.00 26.05 O ATOM 334 CB VAL A1008 -26.041 44.330 5.420 1.00 27.60 C ATOM 335 CG1 VAL A1008 -25.500 42.909 5.326 1.00 27.64 C ATOM 336 CG2 VAL A1008 -26.063 44.810 6.864 1.00 28.82 C ATOM 337 H VAL A1008 -25.918 44.141 2.840 1.00 0.00 H ATOM 338 N PHE A1009 -22.874 44.612 4.259 1.00 24.12 N ATOM 339 CA PHE A1009 -21.451 44.555 4.612 1.00 23.32 C ATOM 340 C PHE A1009 -20.599 45.578 3.852 1.00 23.01 C ATOM 341 O PHE A1009 -19.381 45.584 3.998 1.00 22.14 O ATOM 342 CB PHE A1009 -20.895 43.147 4.367 1.00 22.62 C ATOM 343 CG PHE A1009 -21.728 42.053 4.975 1.00 22.38 C ATOM 344 CD1 PHE A1009 -21.940 42.009 6.344 1.00 22.59 C ATOM 345 CD2 PHE A1009 -22.307 41.071 4.176 1.00 22.34 C ATOM 346 CE1 PHE A1009 -22.722 41.014 6.909 1.00 23.06 C ATOM 347 CE2 PHE A1009 -23.080 40.068 4.734 1.00 22.76 C ATOM 348 CZ PHE A1009 -23.291 40.040 6.103 1.00 23.12 C ATOM 349 H PHE A1009 -23.209 44.101 3.417 1.00 0.00 H ATOM 350 N THR A1010 -21.221 46.440 3.047 1.00 24.10 N ATOM 351 CA THR A1010 -20.457 47.336 2.171 1.00 25.36 C ATOM 352 C THR A1010 -19.999 48.630 2.846 1.00 28.28 C ATOM 353 O THR A1010 -19.081 49.281 2.352 1.00 28.90 O ATOM 354 CB THR A1010 -21.235 47.705 0.896 1.00 25.19 C ATOM 355 OG1 THR A1010 -22.492 48.295 1.253 1.00 25.56 O ATOM 356 CG2 THR A1010 -21.456 46.469 0.033 1.00 24.40 C ATOM 357 HG1 THR A1010 -23.020 47.648 1.785 1.00 0.00 H ATOM 358 H THR A1010 -22.260 46.478 3.040 1.00 0.00 H ATOM 359 N LYS A1011 -20.631 49.002 3.957 1.00 30.16 N ATOM 360 CA LYS A1011 -20.294 50.240 4.663 1.00 34.04 C ATOM 361 C LYS A1011 -20.276 50.010 6.171 1.00 34.32 C ATOM 362 O LYS A1011 -20.894 49.062 6.660 1.00 31.98 O ATOM 363 CB LYS A1011 -21.312 51.339 4.331 1.00 37.34 C ATOM 364 CG LYS A1011 -21.295 51.812 2.884 1.00 40.24 C ATOM 365 CD LYS A1011 -20.098 52.702 2.586 1.00 42.79 C ATOM 366 CE LYS A1011 -19.939 52.944 1.091 1.00 44.58 C ATOM 367 NZ LYS A1011 -18.630 53.573 0.758 1.00 45.88 N ATOM 368 HZ1 LYS A1011 -18.554 54.489 1.244 1.00 0.00 H ATOM 369 HZ2 LYS A1011 -17.858 52.949 1.069 1.00 0.00 H ATOM 370 HZ3 LYS A1011 -18.568 53.718 -0.270 1.00 0.00 H ATOM 371 H LYS A1011 -21.387 48.395 4.335 1.00 0.00 H ATOM 372 N PRO A1012 -19.579 50.885 6.921 1.00 37.40 N ATOM 373 CA PRO A1012 -19.637 50.773 8.378 1.00 39.57 C ATOM 374 C PRO A1012 -21.062 50.952 8.898 1.00 40.83 C ATOM 375 O PRO A1012 -21.882 51.597 8.245 1.00 40.34 O ATOM 376 CB PRO A1012 -18.740 51.922 8.871 1.00 40.84 C ATOM 377 CG PRO A1012 -17.928 52.337 7.695 1.00 40.59 C ATOM 378 CD PRO A1012 -18.762 52.031 6.487 1.00 38.90 C ATOM 379 N VAL A1013 -21.344 50.370 10.058 1.00 44.48 N ATOM 380 CA VAL A1013 -22.651 50.497 10.695 1.00 48.93 C ATOM 381 C VAL A1013 -22.811 51.912 11.252 1.00 53.97 C ATOM 382 O VAL A1013 -21.962 52.383 12.012 1.00 55.94 O ATOM 383 CB VAL A1013 -22.820 49.471 11.837 1.00 48.42 C ATOM 384 CG1 VAL A1013 -24.149 49.668 12.546 1.00 48.63 C ATOM 385 CG2 VAL A1013 -22.707 48.051 11.298 1.00 46.59 C ATOM 386 H VAL A1013 -20.609 49.805 10.528 1.00 0.00 H ATOM 387 N ASP A1014 -23.892 52.584 10.860 1.00 59.28 N ATOM 388 CA ASP A1014 -24.181 53.944 11.318 1.00 65.41 C ATOM 389 C ASP A1014 -24.549 53.927 12.807 1.00 67.32 C ATOM 390 O ASP A1014 -25.551 53.317 13.184 1.00 66.92 O ATOM 391 CB ASP A1014 -25.330 54.542 10.494 1.00 67.88 C ATOM 392 CG ASP A1014 -25.664 55.974 10.891 1.00 71.87 C ATOM 393 OD1 ASP A1014 -24.745 56.734 11.260 1.00 73.37 O ATOM 394 OD2 ASP A1014 -26.855 56.343 10.824 1.00 75.47 O ATOM 395 H ASP A1014 -24.556 52.125 10.204 1.00 0.00 H ATOM 396 N PRO A1015 -23.742 54.596 13.659 1.00 71.21 N ATOM 397 CA PRO A1015 -23.994 54.558 15.107 1.00 74.30 C ATOM 398 C PRO A1015 -25.304 55.220 15.547 1.00 76.99 C ATOM 399 O PRO A1015 -25.791 54.938 16.641 1.00 78.53 O ATOM 400 CB PRO A1015 -22.789 55.303 15.699 1.00 75.19 C ATOM 401 CG PRO A1015 -22.290 56.167 14.596 1.00 75.25 C ATOM 402 CD PRO A1015 -22.549 55.401 13.334 1.00 72.92 C ATOM 403 N ASP A1016 -25.863 56.092 14.711 1.00 78.82 N ATOM 404 CA ASP A1016 -27.160 56.706 14.999 1.00 81.35 C ATOM 405 C ASP A1016 -28.276 55.673 14.851 1.00 81.07 C ATOM 406 O ASP A1016 -29.188 55.612 15.676 1.00 82.46 O ATOM 407 CB ASP A1016 -27.418 57.898 14.069 1.00 82.12 C ATOM 408 CG ASP A1016 -26.352 58.978 14.185 1.00 81.92 C ATOM 409 OD1 ASP A1016 -25.844 59.211 15.303 1.00 80.62 O ATOM 410 OD2 ASP A1016 -26.023 59.595 13.151 1.00 83.10 O ATOM 411 H ASP A1016 -25.366 56.343 13.832 1.00 0.00 H ATOM 412 N GLU A1017 -28.189 54.861 13.799 1.00 78.52 N ATOM 413 CA GLU A1017 -29.160 53.795 13.556 1.00 76.63 C ATOM 414 C GLU A1017 -28.985 52.636 14.538 1.00 72.71 C ATOM 415 O GLU A1017 -29.964 52.142 15.100 1.00 73.30 O ATOM 416 CB GLU A1017 -29.038 53.284 12.120 1.00 78.53 C ATOM 417 CG GLU A1017 -29.498 54.284 11.069 1.00 81.06 C ATOM 418 CD GLU A1017 -29.052 53.927 9.660 1.00 84.07 C ATOM 419 OE1 GLU A1017 -28.431 52.858 9.468 1.00 83.21 O ATOM 420 OE2 GLU A1017 -29.323 54.722 8.736 1.00 86.96 O ATOM 421 H GLU A1017 -27.405 54.989 13.128 1.00 0.00 H ATOM 422 N VAL A1018 -27.738 52.210 14.734 1.00 68.24 N ATOM 423 CA VAL A1018 -27.413 51.098 15.629 1.00 64.06 C ATOM 424 C VAL A1018 -26.346 51.531 16.644 1.00 62.67 C ATOM 425 O VAL A1018 -25.150 51.363 16.400 1.00 59.16 O ATOM 426 CB VAL A1018 -26.913 49.876 14.831 1.00 62.94 C ATOM 427 CG1 VAL A1018 -26.664 48.699 15.757 1.00 61.79 C ATOM 428 CG2 VAL A1018 -27.917 49.495 13.753 1.00 62.47 C ATOM 429 H VAL A1018 -26.963 52.687 14.230 1.00 0.00 H ATOM 430 N PRO A1019 -26.776 52.089 17.793 1.00 61.97 N ATOM 431 CA PRO A1019 -25.833 52.648 18.769 1.00 61.35 C ATOM 432 C PRO A1019 -25.062 51.619 19.602 1.00 58.11 C ATOM 433 O PRO A1019 -23.990 51.938 20.115 1.00 56.83 O ATOM 434 CB PRO A1019 -26.733 53.499 19.672 1.00 63.84 C ATOM 435 CG PRO A1019 -28.062 52.830 19.612 1.00 63.27 C ATOM 436 CD PRO A1019 -28.176 52.222 18.241 1.00 62.48 C ATOM 437 N ASP A1020 -25.592 50.405 19.733 1.00 56.73 N ATOM 438 CA ASP A1020 -24.937 49.371 20.542 1.00 56.57 C ATOM 439 C ASP A1020 -23.954 48.483 19.759 1.00 53.13 C ATOM 440 O ASP A1020 -23.377 47.558 20.334 1.00 52.28 O ATOM 441 CB ASP A1020 -25.982 48.494 21.242 1.00 58.59 C ATOM 442 CG ASP A1020 -26.768 47.635 20.275 1.00 60.14 C ATOM 443 OD1 ASP A1020 -27.528 48.200 19.461 1.00 64.81 O ATOM 444 OD2 ASP A1020 -26.631 46.395 20.337 1.00 60.00 O ATOM 445 H ASP A1020 -26.488 50.185 19.253 1.00 0.00 H ATOM 446 N TYR A1021 -23.758 48.755 18.468 1.00 50.21 N ATOM 447 CA TYR A1021 -22.847 47.941 17.651 1.00 47.98 C ATOM 448 C TYR A1021 -21.406 48.111 18.119 1.00 50.56 C ATOM 449 O TYR A1021 -20.724 47.125 18.400 1.00 49.06 O ATOM 450 CB TYR A1021 -22.962 48.283 16.159 1.00 44.79 C ATOM 451 CG TYR A1021 -22.284 47.267 15.257 1.00 41.02 C ATOM 452 CD1 TYR A1021 -22.949 46.111 14.860 1.00 38.90 C ATOM 453 CD2 TYR A1021 -20.976 47.457 14.812 1.00 39.76 C ATOM 454 CE1 TYR A1021 -22.339 45.175 14.043 1.00 37.58 C ATOM 455 CE2 TYR A1021 -20.352 46.524 13.992 1.00 37.60 C ATOM 456 CZ TYR A1021 -21.043 45.385 13.611 1.00 36.81 C ATOM 457 OH TYR A1021 -20.446 44.449 12.809 1.00 35.01 O ATOM 458 HH TYR A1021 -21.081 43.708 12.639 1.00 0.00 H ATOM 459 H TYR A1021 -24.258 49.556 18.032 1.00 0.00 H ATOM 460 N VAL A1022 -20.960 49.364 18.221 1.00 55.53 N ATOM 461 CA VAL A1022 -19.600 49.682 18.680 1.00 58.90 C ATOM 462 C VAL A1022 -19.313 49.114 20.075 1.00 60.19 C ATOM 463 O VAL A1022 -18.166 48.790 20.394 1.00 61.02 O ATOM 464 CB VAL A1022 -19.342 51.208 18.673 1.00 62.49 C ATOM 465 CG1 VAL A1022 -18.031 51.546 19.370 1.00 64.06 C ATOM 466 CG2 VAL A1022 -19.320 51.734 17.247 1.00 63.00 C ATOM 467 H VAL A1022 -21.598 50.145 17.966 1.00 0.00 H ATOM 468 N THR A1023 -20.354 48.992 20.896 1.00 61.35 N ATOM 469 CA THR A1023 -20.242 48.367 22.213 1.00 62.78 C ATOM 470 C THR A1023 -19.946 46.875 22.098 1.00 58.83 C ATOM 471 O THR A1023 -18.989 46.380 22.692 1.00 61.16 O ATOM 472 CB THR A1023 -21.539 48.541 23.029 1.00 65.74 C ATOM 473 OG1 THR A1023 -21.792 49.935 23.236 1.00 69.46 O ATOM 474 CG2 THR A1023 -21.436 47.832 24.376 1.00 67.40 C ATOM 475 HG1 THR A1023 -22.625 50.044 23.760 1.00 0.00 H ATOM 476 H THR A1023 -21.280 49.354 20.590 1.00 0.00 H ATOM 477 N VAL A1024 -20.769 46.172 21.323 1.00 53.48 N ATOM 478 CA VAL A1024 -20.690 44.713 21.221 1.00 50.34 C ATOM 479 C VAL A1024 -19.527 44.237 20.343 1.00 47.89 C ATOM 480 O VAL A1024 -18.843 43.272 20.689 1.00 48.60 O ATOM 481 CB VAL A1024 -22.007 44.120 20.678 1.00 48.96 C ATOM 482 CG1 VAL A1024 -21.912 42.604 20.578 1.00 46.97 C ATOM 483 CG2 VAL A1024 -23.179 44.525 21.565 1.00 50.49 C ATOM 484 H VAL A1024 -21.493 46.676 20.771 1.00 0.00 H ATOM 485 N ILE A1025 -19.316 44.905 19.210 1.00 43.63 N ATOM 486 CA ILE A1025 -18.289 44.499 18.249 1.00 40.78 C ATOM 487 C ILE A1025 -17.048 45.377 18.397 1.00 41.46 C ATOM 488 O ILE A1025 -17.070 46.558 18.049 1.00 41.27 O ATOM 489 CB ILE A1025 -18.820 44.568 16.800 1.00 37.54 C ATOM 490 CG1 ILE A1025 -20.015 43.624 16.626 1.00 36.22 C ATOM 491 CG2 ILE A1025 -17.724 44.217 15.802 1.00 35.55 C ATOM 492 CD1 ILE A1025 -19.717 42.173 16.940 1.00 35.33 C ATOM 493 H ILE A1025 -19.899 45.741 19.002 1.00 0.00 H ATOM 494 N LYS A1026 -15.970 44.789 18.908 1.00 42.73 N ATOM 495 CA LYS A1026 -14.748 45.535 19.219 1.00 45.49 C ATOM 496 C LYS A1026 -13.904 45.863 18.003 1.00 43.28 C ATOM 497 O LYS A1026 -13.142 46.833 18.024 1.00 43.33 O ATOM 498 CB LYS A1026 -13.895 44.761 20.230 1.00 49.05 C ATOM 499 CG LYS A1026 -14.584 44.528 21.565 1.00 52.07 C ATOM 500 CD LYS A1026 -15.262 45.794 22.060 1.00 54.35 C ATOM 501 CE LYS A1026 -15.756 45.658 23.480 1.00 56.32 C ATOM 502 NZ LYS A1026 -16.455 46.902 23.905 1.00 57.84 N ATOM 503 HZ1 LYS A1026 -15.796 47.705 23.849 1.00 0.00 H ATOM 504 HZ2 LYS A1026 -17.266 47.074 23.278 1.00 0.00 H ATOM 505 HZ3 LYS A1026 -16.789 46.793 24.884 1.00 0.00 H ATOM 506 H LYS A1026 -15.995 43.766 19.093 1.00 0.00 H ATOM 507 N GLN A1027 -14.032 45.064 16.948 1.00 41.10 N ATOM 508 CA GLN A1027 -13.264 45.285 15.736 1.00 40.30 C ATOM 509 C GLN A1027 -14.181 45.274 14.510 1.00 38.28 C ATOM 510 O GLN A1027 -14.228 44.289 13.770 1.00 36.06 O ATOM 511 CB GLN A1027 -12.154 44.239 15.628 1.00 40.91 C ATOM 512 CG GLN A1027 -11.031 44.649 14.699 1.00 41.34 C ATOM 513 CD GLN A1027 -9.825 43.735 14.786 1.00 40.95 C ATOM 514 OE1 GLN A1027 -9.863 42.677 15.424 1.00 41.03 O ATOM 515 NE2 GLN A1027 -8.745 44.139 14.139 1.00 40.37 N ATOM 516 HE22 GLN A1027 -8.758 45.037 13.615 1.00 0.00 H ATOM 517 HE21 GLN A1027 -7.882 43.559 14.154 1.00 0.00 H ATOM 518 H GLN A1027 -14.696 44.265 16.992 1.00 0.00 H ATOM 519 N PRO A1028 -14.914 46.382 14.293 1.00 37.10 N ATOM 520 CA PRO A1028 -15.825 46.451 13.157 1.00 35.83 C ATOM 521 C PRO A1028 -15.072 46.372 11.833 1.00 32.66 C ATOM 522 O PRO A1028 -13.971 46.910 11.709 1.00 31.78 O ATOM 523 CB PRO A1028 -16.499 47.826 13.313 1.00 37.50 C ATOM 524 CG PRO A1028 -16.219 48.259 14.713 1.00 39.44 C ATOM 525 CD PRO A1028 -14.902 47.641 15.059 1.00 39.71 C ATOM 526 N MET A1029 -15.657 45.690 10.859 1.00 28.94 N ATOM 527 CA MET A1029 -15.034 45.569 9.547 1.00 27.10 C ATOM 528 C MET A1029 -16.112 45.506 8.480 1.00 25.72 C ATOM 529 O MET A1029 -17.197 44.990 8.716 1.00 24.59 O ATOM 530 CB MET A1029 -14.136 44.328 9.496 1.00 26.30 C ATOM 531 CG MET A1029 -13.263 44.209 8.251 1.00 25.81 C ATOM 532 SD MET A1029 -12.237 45.649 7.873 1.00 26.81 S ATOM 533 CE MET A1029 -11.296 45.820 9.391 1.00 27.62 C ATOM 534 H MET A1029 -16.575 45.234 11.034 1.00 0.00 H ATOM 535 N ASP A1030 -15.806 46.064 7.317 1.00 25.26 N ATOM 536 CA ASP A1030 -16.748 46.125 6.207 1.00 25.36 C ATOM 537 C ASP A1030 -15.950 46.261 4.921 1.00 23.91 C ATOM 538 O ASP A1030 -14.743 46.483 4.964 1.00 24.07 O ATOM 539 CB ASP A1030 -17.694 47.318 6.377 1.00 26.54 C ATOM 540 CG ASP A1030 -16.979 48.645 6.264 1.00 28.08 C ATOM 541 OD1 ASP A1030 -16.419 49.126 7.273 1.00 30.59 O ATOM 542 OD2 ASP A1030 -16.972 49.210 5.156 1.00 28.47 O ATOM 543 H ASP A1030 -14.858 46.473 7.192 1.00 0.00 H ATOM 544 N LEU A1031 -16.620 46.138 3.783 1.00 22.89 N ATOM 545 CA LEU A1031 -15.918 46.105 2.502 1.00 22.35 C ATOM 546 C LEU A1031 -15.338 47.471 2.088 1.00 23.37 C ATOM 547 O LEU A1031 -14.319 47.515 1.394 1.00 22.68 O ATOM 548 CB LEU A1031 -16.813 45.529 1.401 1.00 21.45 C ATOM 549 CG LEU A1031 -17.312 44.091 1.628 1.00 21.26 C ATOM 550 CD1 LEU A1031 -18.367 43.702 0.598 1.00 19.77 C ATOM 551 CD2 LEU A1031 -16.150 43.105 1.616 1.00 20.19 C ATOM 552 H LEU A1031 -17.657 46.064 3.803 1.00 0.00 H ATOM 553 N SER A1032 -15.955 48.579 2.507 1.00 24.49 N ATOM 554 CA SER A1032 -15.355 49.894 2.228 1.00 25.86 C ATOM 555 C SER A1032 -14.046 50.053 2.997 1.00 25.68 C ATOM 556 O SER A1032 -13.070 50.558 2.454 1.00 26.35 O ATOM 557 CB SER A1032 -16.311 51.041 2.571 1.00 27.11 C ATOM 558 OG SER A1032 -16.474 51.177 3.970 1.00 27.58 O ATOM 559 HG SER A1032 -16.844 50.337 4.341 1.00 0.00 H ATOM 560 H SER A1032 -16.853 48.513 3.027 1.00 0.00 H ATOM 561 N SER A1033 -14.033 49.613 4.254 1.00 25.87 N ATOM 562 CA SER A1033 -12.818 49.636 5.071 1.00 26.36 C ATOM 563 C SER A1033 -11.738 48.714 4.500 1.00 24.55 C ATOM 564 O SER A1033 -10.556 49.053 4.525 1.00 24.79 O ATOM 565 CB SER A1033 -13.125 49.240 6.514 1.00 27.27 C ATOM 566 OG SER A1033 -14.039 50.149 7.098 1.00 29.58 O ATOM 567 HG SER A1033 -14.882 50.147 6.579 1.00 0.00 H ATOM 568 H SER A1033 -14.912 49.242 4.668 1.00 0.00 H ATOM 569 N VAL A1034 -12.142 47.552 3.994 1.00 22.73 N ATOM 570 CA VAL A1034 -11.194 46.648 3.324 1.00 21.76 C ATOM 571 C VAL A1034 -10.531 47.364 2.142 1.00 21.09 C ATOM 572 O VAL A1034 -9.309 47.290 1.973 1.00 20.41 O ATOM 573 CB VAL A1034 -11.874 45.335 2.868 1.00 21.05 C ATOM 574 CG1 VAL A1034 -10.946 44.513 1.984 1.00 20.12 C ATOM 575 CG2 VAL A1034 -12.311 44.519 4.079 1.00 20.64 C ATOM 576 H VAL A1034 -13.142 47.279 4.073 1.00 0.00 H ATOM 577 N ILE A1035 -11.326 48.077 1.345 1.00 21.83 N ATOM 578 CA ILE A1035 -10.788 48.829 0.203 1.00 22.77 C ATOM 579 C ILE A1035 -9.795 49.897 0.665 1.00 22.62 C ATOM 580 O ILE A1035 -8.732 50.052 0.069 1.00 21.96 O ATOM 581 CB ILE A1035 -11.901 49.486 -0.648 1.00 24.12 C ATOM 582 CG1 ILE A1035 -12.687 48.421 -1.415 1.00 24.76 C ATOM 583 CG2 ILE A1035 -11.310 50.487 -1.633 1.00 24.46 C ATOM 584 CD1 ILE A1035 -11.866 47.691 -2.458 1.00 25.41 C ATOM 585 H ILE A1035 -12.348 48.102 1.535 1.00 0.00 H ATOM 586 N SER A1036 -10.134 50.620 1.730 1.00 23.53 N ATOM 587 CA SER A1036 -9.214 51.609 2.301 1.00 24.59 C ATOM 588 C SER A1036 -7.898 50.963 2.728 1.00 23.55 C ATOM 589 O SER A1036 -6.831 51.492 2.452 1.00 23.86 O ATOM 590 CB SER A1036 -9.847 52.320 3.496 1.00 26.49 C ATOM 591 OG SER A1036 -10.960 53.084 3.083 1.00 28.86 O ATOM 592 HG SER A1036 -11.357 53.537 3.868 1.00 0.00 H ATOM 593 H SER A1036 -11.068 50.481 2.165 1.00 0.00 H ATOM 594 N LYS A1037 -7.984 49.809 3.384 1.00 22.81 N ATOM 595 CA LYS A1037 -6.793 49.099 3.842 1.00 22.69 C ATOM 596 C LYS A1037 -5.932 48.600 2.672 1.00 21.75 C ATOM 597 O LYS A1037 -4.699 48.685 2.718 1.00 21.68 O ATOM 598 CB LYS A1037 -7.180 47.958 4.788 1.00 22.64 C ATOM 599 CG LYS A1037 -7.699 48.454 6.136 1.00 23.90 C ATOM 600 CD LYS A1037 -8.055 47.319 7.089 1.00 23.80 C ATOM 601 CE LYS A1037 -6.822 46.518 7.489 1.00 24.04 C ATOM 602 NZ LYS A1037 -7.051 45.669 8.686 1.00 24.64 N ATOM 603 HZ1 LYS A1037 -7.314 46.272 9.492 1.00 0.00 H ATOM 604 HZ2 LYS A1037 -7.819 44.995 8.490 1.00 0.00 H ATOM 605 HZ3 LYS A1037 -6.180 45.148 8.912 1.00 0.00 H ATOM 606 H LYS A1037 -8.922 49.403 3.575 1.00 0.00 H ATOM 607 N ILE A1038 -6.575 48.116 1.613 1.00 20.47 N ATOM 608 CA ILE A1038 -5.847 47.739 0.407 1.00 19.92 C ATOM 609 C ILE A1038 -5.030 48.931 -0.087 1.00 20.97 C ATOM 610 O ILE A1038 -3.822 48.816 -0.310 1.00 20.84 O ATOM 611 CB ILE A1038 -6.775 47.262 -0.729 1.00 18.83 C ATOM 612 CG1 ILE A1038 -7.420 45.915 -0.380 1.00 18.35 C ATOM 613 CG2 ILE A1038 -5.987 47.126 -2.025 1.00 18.32 C ATOM 614 CD1 ILE A1038 -8.553 45.520 -1.305 1.00 18.03 C ATOM 615 H ILE A1038 -7.609 48.005 1.645 1.00 0.00 H ATOM 616 N ASP A1039 -5.698 50.074 -0.224 1.00 22.15 N ATOM 617 CA ASP A1039 -5.081 51.286 -0.754 1.00 23.90 C ATOM 618 C ASP A1039 -3.997 51.864 0.156 1.00 25.07 C ATOM 619 O ASP A1039 -3.098 52.542 -0.328 1.00 25.75 O ATOM 620 CB ASP A1039 -6.151 52.345 -1.053 1.00 25.14 C ATOM 621 CG ASP A1039 -7.029 51.968 -2.246 1.00 25.36 C ATOM 622 OD1 ASP A1039 -6.676 51.022 -2.981 1.00 24.96 O ATOM 623 OD2 ASP A1039 -8.065 52.623 -2.457 1.00 26.29 O ATOM 624 H ASP A1039 -6.699 50.105 0.058 1.00 0.00 H ATOM 625 N LEU A1040 -4.080 51.585 1.457 1.00 25.18 N ATOM 626 CA LEU A1040 -3.048 51.999 2.420 1.00 26.19 C ATOM 627 C LEU A1040 -1.926 50.960 2.555 1.00 26.41 C ATOM 628 O LEU A1040 -1.071 51.081 3.434 1.00 27.40 O ATOM 629 CB LEU A1040 -3.678 52.264 3.792 1.00 26.34 C ATOM 630 CG LEU A1040 -4.566 53.507 3.891 1.00 27.23 C ATOM 631 CD1 LEU A1040 -5.413 53.478 5.156 1.00 27.35 C ATOM 632 CD2 LEU A1040 -3.705 54.762 3.836 1.00 28.41 C ATOM 633 H LEU A1040 -4.905 51.055 1.804 1.00 0.00 H ATOM 634 N HIS A1041 -1.942 49.937 1.699 1.00 25.28 N ATOM 635 CA HIS A1041 -0.903 48.898 1.664 1.00 25.66 C ATOM 636 C HIS A1041 -0.870 48.072 2.932 1.00 25.98 C ATOM 637 O HIS A1041 0.183 47.591 3.346 1.00 26.41 O ATOM 638 CB HIS A1041 0.485 49.502 1.375 1.00 26.80 C ATOM 639 CG HIS A1041 0.578 50.255 0.063 1.00 27.24 C ATOM 640 ND1 HIS A1041 1.756 50.597 -0.487 1.00 28.39 N ATOM 641 CD2 HIS A1041 -0.407 50.710 -0.815 1.00 27.68 C ATOM 642 CE1 HIS A1041 1.542 51.250 -1.644 1.00 27.90 C ATOM 643 NE2 HIS A1041 0.220 51.319 -1.844 1.00 28.05 N ATOM 644 H HIS A1041 -2.729 49.871 1.022 1.00 0.00 H ATOM 645 N LYS A1042 -2.030 47.877 3.550 1.00 26.40 N ATOM 646 CA LYS A1042 -2.115 47.140 4.811 1.00 27.94 C ATOM 647 C LYS A1042 -2.097 45.630 4.615 1.00 26.73 C ATOM 648 O LYS A1042 -1.833 44.895 5.561 1.00 27.48 O ATOM 649 CB LYS A1042 -3.383 47.525 5.571 1.00 29.74 C ATOM 650 CG LYS A1042 -3.449 48.982 5.991 1.00 33.24 C ATOM 651 CD LYS A1042 -2.422 49.302 7.058 1.00 36.67 C ATOM 652 CE LYS A1042 -2.687 50.661 7.685 1.00 40.43 C ATOM 653 NZ LYS A1042 -1.560 51.056 8.568 1.00 43.54 N ATOM 654 HZ1 LYS A1042 -1.450 50.350 9.324 1.00 0.00 H ATOM 655 HZ2 LYS A1042 -0.684 51.106 8.009 1.00 0.00 H ATOM 656 HZ3 LYS A1042 -1.759 51.987 8.987 1.00 0.00 H ATOM 657 H LYS A1042 -2.900 48.258 3.126 1.00 0.00 H ATOM 658 N TYR A1043 -2.407 45.166 3.404 1.00 25.11 N ATOM 659 CA TYR A1043 -2.394 43.741 3.105 1.00 24.23 C ATOM 660 C TYR A1043 -1.175 43.413 2.268 1.00 24.46 C ATOM 661 O TYR A1043 -1.040 43.902 1.145 1.00 25.37 O ATOM 662 CB TYR A1043 -3.655 43.321 2.344 1.00 22.61 C ATOM 663 CG TYR A1043 -4.947 43.633 3.058 1.00 22.09 C ATOM 664 CD1 TYR A1043 -5.223 43.102 4.315 1.00 22.53 C ATOM 665 CD2 TYR A1043 -5.907 44.444 2.466 1.00 21.51 C ATOM 666 CE1 TYR A1043 -6.416 43.386 4.965 1.00 22.65 C ATOM 667 CE2 TYR A1043 -7.099 44.730 3.102 1.00 21.61 C ATOM 668 CZ TYR A1043 -7.354 44.201 4.347 1.00 21.93 C ATOM 669 OH TYR A1043 -8.548 44.495 4.964 1.00 21.15 O ATOM 670 HH TYR A1043 -8.583 44.045 5.845 1.00 0.00 H ATOM 671 H TYR A1043 -2.665 45.839 2.654 1.00 0.00 H ATOM 672 N LEU A1044 -0.288 42.592 2.823 1.00 24.53 N ATOM 673 CA LEU A1044 0.877 42.097 2.097 1.00 24.82 C ATOM 674 C LEU A1044 0.687 40.657 1.637 1.00 23.05 C ATOM 675 O LEU A1044 1.514 40.142 0.891 1.00 22.96 O ATOM 676 CB LEU A1044 2.145 42.195 2.956 1.00 26.92 C ATOM 677 CG LEU A1044 2.633 43.594 3.354 1.00 29.08 C ATOM 678 CD1 LEU A1044 4.087 43.517 3.803 1.00 29.85 C ATOM 679 CD2 LEU A1044 2.488 44.597 2.217 1.00 29.16 C ATOM 680 H LEU A1044 -0.430 42.292 3.809 1.00 0.00 H ATOM 681 N THR A1045 -0.387 40.009 2.088 1.00 22.17 N ATOM 682 CA THR A1045 -0.744 38.669 1.627 1.00 21.67 C ATOM 683 C THR A1045 -2.260 38.539 1.500 1.00 21.17 C ATOM 684 O THR A1045 -3.013 39.313 2.097 1.00 20.55 O ATOM 685 CB THR A1045 -0.250 37.575 2.591 1.00 22.29 C ATOM 686 OG1 THR A1045 -0.979 37.649 3.821 1.00 23.19 O ATOM 687 CG2 THR A1045 1.246 37.713 2.875 1.00 22.97 C ATOM 688 HG1 THR A1045 -0.657 36.944 4.437 1.00 0.00 H ATOM 689 H THR A1045 -0.993 40.474 2.794 1.00 0.00 H ATOM 690 N VAL A1046 -2.703 37.562 0.715 1.00 20.90 N ATOM 691 CA VAL A1046 -4.135 37.270 0.600 1.00 20.91 C ATOM 692 C VAL A1046 -4.626 36.688 1.924 1.00 22.05 C ATOM 693 O VAL A1046 -5.768 36.903 2.320 1.00 20.98 O ATOM 694 CB VAL A1046 -4.436 36.315 -0.575 1.00 20.56 C ATOM 695 CG1 VAL A1046 -5.925 35.968 -0.634 1.00 20.21 C ATOM 696 CG2 VAL A1046 -3.996 36.947 -1.894 1.00 19.40 C ATOM 697 H VAL A1046 -2.021 36.994 0.172 1.00 0.00 H ATOM 698 N LYS A1047 -3.748 35.975 2.624 1.00 24.24 N ATOM 699 CA LYS A1047 -4.093 35.436 3.934 1.00 26.69 C ATOM 700 C LYS A1047 -4.520 36.542 4.910 1.00 26.57 C ATOM 701 O LYS A1047 -5.513 36.392 5.615 1.00 27.04 O ATOM 702 CB LYS A1047 -2.937 34.613 4.512 1.00 29.85 C ATOM 703 CG LYS A1047 -3.351 33.722 5.669 1.00 33.82 C ATOM 704 CD LYS A1047 -2.313 32.650 5.995 1.00 37.85 C ATOM 705 CE LYS A1047 -1.528 32.964 7.262 1.00 41.03 C ATOM 706 NZ LYS A1047 -0.890 31.742 7.833 1.00 44.69 N ATOM 707 HZ1 LYS A1047 -1.626 31.045 8.067 1.00 0.00 H ATOM 708 HZ2 LYS A1047 -0.236 31.335 7.134 1.00 0.00 H ATOM 709 HZ3 LYS A1047 -0.365 31.997 8.694 1.00 0.00 H ATOM 710 H LYS A1047 -2.801 35.799 2.231 1.00 0.00 H ATOM 711 N ASP A1048 -3.789 37.654 4.935 1.00 26.39 N ATOM 712 CA ASP A1048 -4.155 38.789 5.793 1.00 26.65 C ATOM 713 C ASP A1048 -5.488 39.429 5.383 1.00 24.92 C ATOM 714 O ASP A1048 -6.271 39.858 6.236 1.00 24.39 O ATOM 715 CB ASP A1048 -3.052 39.849 5.793 1.00 28.69 C ATOM 716 CG ASP A1048 -1.799 39.393 6.529 1.00 31.47 C ATOM 717 OD1 ASP A1048 -1.865 38.429 7.319 1.00 33.65 O ATOM 718 OD2 ASP A1048 -0.743 40.002 6.312 1.00 33.17 O ATOM 719 H ASP A1048 -2.942 37.721 4.335 1.00 0.00 H ATOM 720 N TYR A1049 -5.727 39.498 4.077 1.00 22.64 N ATOM 721 CA TYR A1049 -6.998 39.977 3.535 1.00 21.39 C ATOM 722 C TYR A1049 -8.149 39.083 3.983 1.00 21.21 C ATOM 723 O TYR A1049 -9.194 39.572 4.402 1.00 20.78 O ATOM 724 CB TYR A1049 -6.917 40.023 2.003 1.00 19.86 C ATOM 725 CG TYR A1049 -8.219 40.245 1.274 1.00 18.77 C ATOM 726 CD1 TYR A1049 -8.669 41.530 0.987 1.00 18.66 C ATOM 727 CD2 TYR A1049 -8.982 39.167 0.825 1.00 18.28 C ATOM 728 CE1 TYR A1049 -9.853 41.736 0.298 1.00 17.99 C ATOM 729 CE2 TYR A1049 -10.169 39.366 0.135 1.00 17.88 C ATOM 730 CZ TYR A1049 -10.598 40.652 -0.129 1.00 17.61 C ATOM 731 OH TYR A1049 -11.771 40.860 -0.825 1.00 17.34 O ATOM 732 HH TYR A1049 -11.926 41.833 -0.925 1.00 0.00 H ATOM 733 H TYR A1049 -4.982 39.200 3.416 1.00 0.00 H ATOM 734 N LEU A1050 -7.947 37.773 3.902 1.00 21.61 N ATOM 735 CA LEU A1050 -8.977 36.820 4.303 1.00 22.39 C ATOM 736 C LEU A1050 -9.301 36.889 5.799 1.00 23.90 C ATOM 737 O LEU A1050 -10.422 36.570 6.191 1.00 24.01 O ATOM 738 CB LEU A1050 -8.602 35.392 3.882 1.00 22.19 C ATOM 739 CG LEU A1050 -8.779 35.125 2.382 1.00 21.72 C ATOM 740 CD1 LEU A1050 -8.193 33.773 1.995 1.00 22.23 C ATOM 741 CD2 LEU A1050 -10.248 35.214 1.969 1.00 21.16 C ATOM 742 H LEU A1050 -7.036 37.419 3.546 1.00 0.00 H ATOM 743 N ARG A1051 -8.349 37.331 6.622 1.00 25.12 N ATOM 744 CA ARG A1051 -8.623 37.536 8.047 1.00 27.07 C ATOM 745 C ARG A1051 -9.663 38.624 8.261 1.00 23.99 C ATOM 746 O ARG A1051 -10.500 38.504 9.140 1.00 23.24 O ATOM 747 CB ARG A1051 -7.357 37.882 8.832 1.00 31.00 C ATOM 748 CG ARG A1051 -6.338 36.762 8.865 1.00 36.28 C ATOM 749 CD ARG A1051 -5.554 36.742 10.165 1.00 42.58 C ATOM 750 NE ARG A1051 -4.275 36.059 9.994 1.00 46.98 N ATOM 751 CZ ARG A1051 -3.140 36.646 9.617 1.00 51.47 C ATOM 752 NH1 ARG A1051 -3.090 37.955 9.367 1.00 53.25 N ATOM 753 NH2 ARG A1051 -2.037 35.917 9.494 1.00 55.33 N ATOM 754 HE ARG A1051 -4.248 35.036 10.181 1.00 0.00 H ATOM 755 HH12 ARG A1051 -2.194 38.395 9.074 1.00 0.00 H ATOM 756 HH11 ARG A1051 -3.947 38.536 9.465 1.00 0.00 H ATOM 757 HH22 ARG A1051 -1.146 36.367 9.200 1.00 0.00 H ATOM 758 HH21 ARG A1051 -2.064 34.896 9.691 1.00 0.00 H ATOM 759 H ARG A1051 -7.400 37.533 6.248 1.00 0.00 H ATOM 760 N ASP A1052 -9.610 39.679 7.452 1.00 22.81 N ATOM 761 CA ASP A1052 -10.630 40.726 7.511 1.00 22.26 C ATOM 762 C ASP A1052 -11.970 40.264 6.924 1.00 21.18 C ATOM 763 O ASP A1052 -13.024 40.612 7.460 1.00 20.99 O ATOM 764 CB ASP A1052 -10.136 42.020 6.858 1.00 22.24 C ATOM 765 CG ASP A1052 -9.281 42.857 7.802 1.00 24.00 C ATOM 766 OD1 ASP A1052 -9.205 42.505 9.002 1.00 24.23 O ATOM 767 OD2 ASP A1052 -8.698 43.870 7.356 1.00 24.24 O ATOM 768 H ASP A1052 -8.832 39.761 6.767 1.00 0.00 H ATOM 769 N ILE A1053 -11.942 39.464 5.859 1.00 20.13 N ATOM 770 CA ILE A1053 -13.182 38.866 5.350 1.00 20.11 C ATOM 771 C ILE A1053 -13.819 37.992 6.440 1.00 20.62 C ATOM 772 O ILE A1053 -15.024 38.087 6.697 1.00 20.30 O ATOM 773 CB ILE A1053 -12.959 38.024 4.073 1.00 19.72 C ATOM 774 CG1 ILE A1053 -12.469 38.904 2.915 1.00 19.52 C ATOM 775 CG2 ILE A1053 -14.244 37.300 3.678 1.00 19.27 C ATOM 776 CD1 ILE A1053 -13.354 40.097 2.600 1.00 19.54 C ATOM 777 H ILE A1053 -11.038 39.262 5.386 1.00 0.00 H ATOM 778 N ASP A1054 -13.005 37.154 7.081 1.00 21.63 N ATOM 779 CA ASP A1054 -13.462 36.307 8.190 1.00 23.40 C ATOM 780 C ASP A1054 -14.046 37.131 9.340 1.00 23.36 C ATOM 781 O ASP A1054 -15.023 36.719 9.975 1.00 23.25 O ATOM 782 CB ASP A1054 -12.310 35.443 8.721 1.00 25.44 C ATOM 783 CG ASP A1054 -11.937 34.312 7.778 1.00 27.29 C ATOM 784 OD1 ASP A1054 -12.747 33.953 6.907 1.00 29.04 O ATOM 785 OD2 ASP A1054 -10.839 33.756 7.921 1.00 29.26 O ATOM 786 H ASP A1054 -12.010 37.098 6.785 1.00 0.00 H ATOM 787 N LEU A1055 -13.432 38.283 9.600 1.00 23.32 N ATOM 788 CA LEU A1055 -13.870 39.203 10.645 1.00 24.52 C ATOM 789 C LEU A1055 -15.264 39.775 10.352 1.00 23.98 C ATOM 790 O LEU A1055 -16.113 39.842 11.242 1.00 24.31 O ATOM 791 CB LEU A1055 -12.840 40.324 10.792 1.00 25.90 C ATOM 792 CG LEU A1055 -13.002 41.349 11.906 1.00 27.45 C ATOM 793 CD1 LEU A1055 -13.120 40.685 13.272 1.00 27.81 C ATOM 794 CD2 LEU A1055 -11.814 42.300 11.851 1.00 28.24 C ATOM 795 H LEU A1055 -12.600 38.540 9.031 1.00 0.00 H ATOM 796 N ILE A1056 -15.504 40.162 9.101 1.00 22.59 N ATOM 797 CA ILE A1056 -16.831 40.611 8.673 1.00 22.18 C ATOM 798 C ILE A1056 -17.872 39.537 8.972 1.00 22.55 C ATOM 799 O ILE A1056 -18.956 39.832 9.493 1.00 22.92 O ATOM 800 CB ILE A1056 -16.871 40.937 7.165 1.00 21.40 C ATOM 801 CG1 ILE A1056 -16.021 42.174 6.852 1.00 21.00 C ATOM 802 CG2 ILE A1056 -18.304 41.165 6.701 1.00 20.96 C ATOM 803 CD1 ILE A1056 -15.840 42.435 5.370 1.00 20.16 C ATOM 804 H ILE A1056 -14.728 40.145 8.409 1.00 0.00 H ATOM 805 N CYS A1057 -17.536 38.289 8.654 1.00 22.68 N ATOM 806 CA CYS A1057 -18.438 37.167 8.897 1.00 23.20 C ATOM 807 C CYS A1057 -18.630 36.874 10.393 1.00 23.54 C ATOM 808 O CYS A1057 -19.763 36.760 10.862 1.00 23.63 O ATOM 809 CB CYS A1057 -17.947 35.915 8.171 1.00 23.64 C ATOM 810 SG CYS A1057 -19.002 34.467 8.405 1.00 27.00 S ATOM 811 H CYS A1057 -16.608 38.109 8.222 1.00 0.00 H ATOM 812 N SER A1058 -17.535 36.756 11.140 1.00 23.47 N ATOM 813 CA SER A1058 -17.628 36.427 12.569 1.00 24.12 C ATOM 814 C SER A1058 -18.337 37.524 13.369 1.00 24.07 C ATOM 815 O SER A1058 -19.096 37.226 14.288 1.00 25.08 O ATOM 816 CB SER A1058 -16.244 36.133 13.164 1.00 25.11 C ATOM 817 OG SER A1058 -15.375 37.243 13.018 1.00 26.45 O ATOM 818 HG SER A1058 -14.493 37.024 13.410 1.00 0.00 H ATOM 819 H SER A1058 -16.601 36.899 10.706 1.00 0.00 H ATOM 820 N ASN A1059 -18.086 38.784 13.021 1.00 23.56 N ATOM 821 CA ASN A1059 -18.814 39.909 13.613 1.00 23.68 C ATOM 822 C ASN A1059 -20.329 39.760 13.429 1.00 23.68 C ATOM 823 O ASN A1059 -21.094 39.944 14.377 1.00 23.28 O ATOM 824 CB ASN A1059 -18.350 41.251 13.020 1.00 23.35 C ATOM 825 CG ASN A1059 -16.982 41.693 13.532 1.00 24.24 C ATOM 826 OD1 ASN A1059 -16.444 41.128 14.477 1.00 24.59 O ATOM 827 ND2 ASN A1059 -16.420 42.719 12.901 1.00 23.90 N ATOM 828 HD22 ASN A1059 -16.911 43.171 12.103 1.00 0.00 H ATOM 829 HD21 ASN A1059 -15.490 43.070 13.205 1.00 0.00 H ATOM 830 H ASN A1059 -17.353 38.975 12.309 1.00 0.00 H ATOM 831 N ALA A1060 -20.757 39.421 12.212 1.00 23.40 N ATOM 832 CA ALA A1060 -22.185 39.239 11.918 1.00 23.34 C ATOM 833 C ALA A1060 -22.787 38.077 12.704 1.00 24.25 C ATOM 834 O ALA A1060 -23.921 38.169 13.177 1.00 24.93 O ATOM 835 CB ALA A1060 -22.411 39.033 10.422 1.00 21.92 C ATOM 836 H ALA A1060 -20.062 39.282 11.451 1.00 0.00 H ATOM 837 N LEU A1061 -22.033 36.988 12.838 1.00 25.13 N ATOM 838 CA LEU A1061 -22.498 35.834 13.606 1.00 27.30 C ATOM 839 C LEU A1061 -22.631 36.194 15.079 1.00 28.76 C ATOM 840 O LEU A1061 -23.570 35.763 15.752 1.00 29.46 O ATOM 841 CB LEU A1061 -21.555 34.638 13.441 1.00 28.12 C ATOM 842 CG LEU A1061 -21.345 34.055 12.037 1.00 28.64 C ATOM 843 CD1 LEU A1061 -20.692 32.681 12.135 1.00 30.56 C ATOM 844 CD2 LEU A1061 -22.643 33.962 11.253 1.00 28.04 C ATOM 845 H LEU A1061 -21.096 36.958 12.388 1.00 0.00 H ATOM 846 N GLU A1062 -21.696 37.004 15.561 1.00 29.57 N ATOM 847 CA GLU A1062 -21.681 37.449 16.946 1.00 32.24 C ATOM 848 C GLU A1062 -22.819 38.424 17.257 1.00 31.95 C ATOM 849 O GLU A1062 -23.535 38.251 18.240 1.00 31.52 O ATOM 850 CB GLU A1062 -20.328 38.097 17.257 1.00 34.31 C ATOM 851 CG GLU A1062 -20.160 38.589 18.685 1.00 38.29 C ATOM 852 CD GLU A1062 -18.764 39.135 18.959 1.00 41.31 C ATOM 853 OE1 GLU A1062 -17.850 38.911 18.136 1.00 43.23 O ATOM 854 OE2 GLU A1062 -18.584 39.794 20.004 1.00 46.04 O ATOM 855 H GLU A1062 -20.944 37.334 14.923 1.00 0.00 H ATOM 856 N TYR A1063 -22.975 39.444 16.419 1.00 31.27 N ATOM 857 CA TYR A1063 -23.954 40.500 16.663 1.00 31.42 C ATOM 858 C TYR A1063 -25.396 40.085 16.354 1.00 30.77 C ATOM 859 O TYR A1063 -26.331 40.678 16.886 1.00 30.96 O ATOM 860 CB TYR A1063 -23.599 41.759 15.864 1.00 33.01 C ATOM 861 CG TYR A1063 -24.471 42.941 16.221 1.00 34.73 C ATOM 862 CD1 TYR A1063 -24.294 43.619 17.424 1.00 36.87 C ATOM 863 CD2 TYR A1063 -25.492 43.362 15.374 1.00 35.78 C ATOM 864 CE1 TYR A1063 -25.099 44.693 17.766 1.00 38.50 C ATOM 865 CE2 TYR A1063 -26.303 44.433 15.710 1.00 37.95 C ATOM 866 CZ TYR A1063 -26.101 45.093 16.905 1.00 38.90 C ATOM 867 OH TYR A1063 -26.904 46.157 17.237 1.00 42.89 O ATOM 868 HH TYR A1063 -26.629 46.514 18.118 1.00 0.00 H ATOM 869 H TYR A1063 -22.383 39.491 15.565 1.00 0.00 H ATOM 870 N ASN A1064 -25.575 39.070 15.511 1.00 29.10 N ATOM 871 CA ASN A1064 -26.910 38.620 15.103 1.00 29.04 C ATOM 872 C ASN A1064 -27.095 37.128 15.379 1.00 29.18 C ATOM 873 O ASN A1064 -27.268 36.349 14.450 1.00 28.66 O ATOM 874 CB ASN A1064 -27.128 38.891 13.607 1.00 27.78 C ATOM 875 CG ASN A1064 -26.699 40.284 13.192 1.00 27.75 C ATOM 876 OD1 ASN A1064 -27.471 41.235 13.277 1.00 28.02 O ATOM 877 ND2 ASN A1064 -25.459 40.407 12.726 1.00 27.51 N ATOM 878 HD22 ASN A1064 -24.839 39.574 12.672 1.00 0.00 H ATOM 879 HD21 ASN A1064 -25.110 41.336 12.416 1.00 0.00 H ATOM 880 H ASN A1064 -24.741 38.580 15.129 1.00 0.00 H ATOM 881 N PRO A1065 -27.069 36.724 16.661 1.00 31.00 N ATOM 882 CA PRO A1065 -27.066 35.304 17.004 1.00 32.33 C ATOM 883 C PRO A1065 -28.450 34.665 17.154 1.00 33.54 C ATOM 884 O PRO A1065 -28.538 33.454 17.359 1.00 35.14 O ATOM 885 CB PRO A1065 -26.365 35.303 18.360 1.00 33.56 C ATOM 886 CG PRO A1065 -26.842 36.567 18.994 1.00 33.99 C ATOM 887 CD PRO A1065 -27.045 37.562 17.875 1.00 32.43 C ATOM 888 N ASP A1066 -29.514 35.455 17.056 1.00 33.59 N ATOM 889 CA ASP A1066 -30.855 34.965 17.385 1.00 35.61 C ATOM 890 C ASP A1066 -31.466 34.093 16.300 1.00 34.34 C ATOM 891 O ASP A1066 -31.006 34.080 15.153 1.00 32.43 O ATOM 892 CB ASP A1066 -31.798 36.131 17.674 1.00 37.73 C ATOM 893 CG ASP A1066 -31.377 36.936 18.887 1.00 42.29 C ATOM 894 OD1 ASP A1066 -30.350 36.593 19.517 1.00 43.65 O ATOM 895 OD2 ASP A1066 -32.082 37.912 19.217 1.00 46.24 O ATOM 896 H ASP A1066 -29.393 36.438 16.740 1.00 0.00 H ATOM 897 N ARG A1067 -32.514 33.368 16.683 1.00 33.84 N ATOM 898 CA ARG A1067 -33.265 32.530 15.752 1.00 34.65 C ATOM 899 C ARG A1067 -34.205 33.341 14.853 1.00 33.44 C ATOM 900 O ARG A1067 -34.749 32.806 13.892 1.00 33.24 O ATOM 901 CB ARG A1067 -34.079 31.490 16.517 1.00 36.47 C ATOM 902 CG ARG A1067 -35.168 32.093 17.398 1.00 37.93 C ATOM 903 CD ARG A1067 -36.457 31.304 17.329 1.00 39.83 C ATOM 904 NE ARG A1067 -36.956 31.115 15.965 1.00 39.77 N ATOM 905 CZ ARG A1067 -37.753 31.964 15.311 1.00 41.66 C ATOM 906 NH1 ARG A1067 -38.157 33.113 15.866 1.00 41.87 N ATOM 907 NH2 ARG A1067 -38.147 31.667 14.077 1.00 39.42 N ATOM 908 HE ARG A1067 -36.666 30.250 15.466 1.00 0.00 H ATOM 909 HH12 ARG A1067 -38.778 33.757 15.335 1.00 0.00 H ATOM 910 HH11 ARG A1067 -37.850 33.362 16.828 1.00 0.00 H ATOM 911 HH22 ARG A1067 -38.768 32.320 13.558 1.00 0.00 H ATOM 912 HH21 ARG A1067 -37.835 30.781 13.630 1.00 0.00 H ATOM 913 H ARG A1067 -32.809 33.399 17.680 1.00 0.00 H ATOM 914 N ASP A1068 -34.410 34.616 15.183 1.00 34.12 N ATOM 915 CA ASP A1068 -35.307 35.495 14.422 1.00 34.97 C ATOM 916 C ASP A1068 -34.872 35.557 12.951 1.00 31.31 C ATOM 917 O ASP A1068 -33.674 35.516 12.671 1.00 29.62 O ATOM 918 CB ASP A1068 -35.307 36.911 15.023 1.00 39.89 C ATOM 919 CG ASP A1068 -35.682 36.924 16.508 1.00 46.87 C ATOM 920 OD1 ASP A1068 -34.982 36.273 17.315 1.00 51.29 O ATOM 921 OD2 ASP A1068 -36.672 37.593 16.875 1.00 50.52 O ATOM 922 H ASP A1068 -33.915 35.003 16.012 1.00 0.00 H ATOM 923 N PRO A1069 -35.836 35.648 12.009 1.00 29.60 N ATOM 924 CA PRO A1069 -35.491 35.650 10.582 1.00 28.12 C ATOM 925 C PRO A1069 -34.517 36.749 10.158 1.00 26.16 C ATOM 926 O PRO A1069 -33.687 36.517 9.285 1.00 25.08 O ATOM 927 CB PRO A1069 -36.840 35.849 9.890 1.00 28.63 C ATOM 928 CG PRO A1069 -37.842 35.338 10.860 1.00 30.02 C ATOM 929 CD PRO A1069 -37.298 35.670 12.216 1.00 29.98 C ATOM 930 N GLY A1070 -34.624 37.929 10.764 1.00 25.88 N ATOM 931 CA GLY A1070 -33.700 39.026 10.481 1.00 26.75 C ATOM 932 C GLY A1070 -32.257 38.634 10.763 1.00 26.91 C ATOM 933 O GLY A1070 -31.374 38.828 9.922 1.00 26.89 O ATOM 934 H GLY A1070 -35.385 38.075 11.457 1.00 0.00 H ATOM 935 N ASP A1071 -32.031 38.065 11.946 1.00 27.16 N ATOM 936 CA ASP A1071 -30.714 37.578 12.349 1.00 28.02 C ATOM 937 C ASP A1071 -30.232 36.412 11.487 1.00 27.23 C ATOM 938 O ASP A1071 -29.068 36.382 11.096 1.00 26.53 O ATOM 939 CB ASP A1071 -30.711 37.158 13.827 1.00 29.59 C ATOM 940 CG ASP A1071 -30.588 38.338 14.773 1.00 30.90 C ATOM 941 OD1 ASP A1071 -31.016 39.458 14.416 1.00 31.60 O ATOM 942 OD2 ASP A1071 -30.050 38.141 15.883 1.00 31.97 O ATOM 943 H ASP A1071 -32.825 37.963 12.610 1.00 0.00 H ATOM 944 N ARG A1072 -31.116 35.461 11.193 1.00 27.02 N ATOM 945 CA ARG A1072 -30.740 34.304 10.375 1.00 27.59 C ATOM 946 C ARG A1072 -30.373 34.695 8.939 1.00 25.93 C ATOM 947 O ARG A1072 -29.473 34.102 8.346 1.00 24.75 O ATOM 948 CB ARG A1072 -31.846 33.239 10.380 1.00 30.92 C ATOM 949 CG ARG A1072 -31.782 32.328 11.595 1.00 33.95 C ATOM 950 CD ARG A1072 -32.892 31.290 11.642 1.00 37.52 C ATOM 951 NE ARG A1072 -32.755 30.423 12.817 1.00 41.26 N ATOM 952 CZ ARG A1072 -33.688 29.580 13.267 1.00 44.69 C ATOM 953 NH1 ARG A1072 -34.860 29.465 12.652 1.00 46.24 N ATOM 954 NH2 ARG A1072 -33.446 28.845 14.349 1.00 45.85 N ATOM 955 HE ARG A1072 -31.859 30.468 13.342 1.00 0.00 H ATOM 956 HH12 ARG A1072 -35.575 28.804 13.016 1.00 0.00 H ATOM 957 HH11 ARG A1072 -35.062 30.036 11.807 1.00 0.00 H ATOM 958 HH22 ARG A1072 -34.169 28.187 14.703 1.00 0.00 H ATOM 959 HH21 ARG A1072 -32.533 28.928 14.841 1.00 0.00 H ATOM 960 H ARG A1072 -32.090 35.540 11.550 1.00 0.00 H ATOM 961 N LEU A1073 -31.067 35.690 8.389 1.00 24.83 N ATOM 962 CA LEU A1073 -30.774 36.178 7.040 1.00 23.70 C ATOM 963 C LEU A1073 -29.362 36.761 6.953 1.00 23.23 C ATOM 964 O LEU A1073 -28.603 36.409 6.051 1.00 22.00 O ATOM 965 CB LEU A1073 -31.802 37.228 6.606 1.00 23.58 C ATOM 966 CG LEU A1073 -31.603 37.880 5.230 1.00 23.42 C ATOM 967 CD1 LEU A1073 -31.492 36.840 4.128 1.00 22.78 C ATOM 968 CD2 LEU A1073 -32.732 38.860 4.941 1.00 23.92 C ATOM 969 H LEU A1073 -31.837 36.132 8.932 1.00 0.00 H ATOM 970 N ILE A1074 -29.017 37.635 7.899 1.00 23.53 N ATOM 971 CA ILE A1074 -27.705 38.277 7.877 1.00 23.63 C ATOM 972 C ILE A1074 -26.584 37.259 8.112 1.00 23.58 C ATOM 973 O ILE A1074 -25.553 37.329 7.446 1.00 22.67 O ATOM 974 CB ILE A1074 -27.603 39.473 8.853 1.00 24.10 C ATOM 975 CG1 ILE A1074 -26.326 40.272 8.571 1.00 24.13 C ATOM 976 CG2 ILE A1074 -27.646 39.012 10.300 1.00 24.53 C ATOM 977 CD1 ILE A1074 -26.314 41.650 9.193 1.00 24.87 C ATOM 978 H ILE A1074 -29.689 37.862 8.660 1.00 0.00 H ATOM 979 N ARG A1075 -26.791 36.298 9.019 1.00 24.21 N ATOM 980 CA ARG A1075 -25.800 35.227 9.230 1.00 24.54 C ATOM 981 C ARG A1075 -25.588 34.415 7.949 1.00 24.47 C ATOM 982 O ARG A1075 -24.452 34.086 7.591 1.00 23.19 O ATOM 983 CB ARG A1075 -26.210 34.282 10.372 1.00 25.91 C ATOM 984 CG ARG A1075 -26.127 34.888 11.765 1.00 26.96 C ATOM 985 CD ARG A1075 -25.965 33.815 12.835 1.00 28.45 C ATOM 986 NE ARG A1075 -27.019 32.798 12.801 1.00 29.69 N ATOM 987 CZ ARG A1075 -28.217 32.914 13.372 1.00 30.54 C ATOM 988 NH1 ARG A1075 -28.559 34.019 14.025 1.00 30.79 N ATOM 989 NH2 ARG A1075 -29.089 31.918 13.282 1.00 32.15 N ATOM 990 HE ARG A1075 -26.816 31.915 12.290 1.00 0.00 H ATOM 991 HH12 ARG A1075 -29.498 34.093 14.465 1.00 0.00 H ATOM 992 HH11 ARG A1075 -27.887 34.810 14.096 1.00 0.00 H ATOM 993 HH22 ARG A1075 -30.025 32.005 13.726 1.00 0.00 H ATOM 994 HH21 ARG A1075 -28.836 31.051 12.767 1.00 0.00 H ATOM 995 H ARG A1075 -27.664 36.306 9.584 1.00 0.00 H ATOM 996 N HIS A1076 -26.682 34.090 7.260 1.00 24.07 N ATOM 997 CA HIS A1076 -26.594 33.344 6.007 1.00 23.63 C ATOM 998 C HIS A1076 -25.859 34.128 4.956 1.00 22.12 C ATOM 999 O HIS A1076 -25.063 33.565 4.198 1.00 21.55 O ATOM 1000 CB HIS A1076 -27.982 32.964 5.501 1.00 24.95 C ATOM 1001 CG HIS A1076 -27.962 32.028 4.319 1.00 26.36 C ATOM 1002 ND1 HIS A1076 -27.944 32.468 3.042 1.00 27.17 N ATOM 1003 CD2 HIS A1076 -27.966 30.631 4.253 1.00 27.96 C ATOM 1004 CE1 HIS A1076 -27.937 31.410 2.202 1.00 27.46 C ATOM 1005 NE2 HIS A1076 -27.943 30.287 2.943 1.00 27.26 N ATOM 1006 H HIS A1076 -27.615 34.373 7.621 1.00 0.00 H ATOM 1007 N ARG A1077 -26.120 35.433 4.898 1.00 20.79 N ATOM 1008 CA ARG A1077 -25.426 36.318 3.963 1.00 20.38 C ATOM 1009 C ARG A1077 -23.945 36.469 4.308 1.00 20.15 C ATOM 1010 O ARG A1077 -23.101 36.543 3.414 1.00 19.62 O ATOM 1011 CB ARG A1077 -26.088 37.692 3.935 1.00 20.38 C ATOM 1012 CG ARG A1077 -27.421 37.700 3.204 1.00 20.56 C ATOM 1013 CD ARG A1077 -28.185 38.977 3.480 1.00 21.00 C ATOM 1014 NE ARG A1077 -29.305 39.132 2.560 1.00 21.78 N ATOM 1015 CZ ARG A1077 -30.184 40.130 2.593 1.00 22.20 C ATOM 1016 NH1 ARG A1077 -30.090 41.084 3.509 1.00 22.63 N ATOM 1017 NH2 ARG A1077 -31.171 40.167 1.707 1.00 22.73 N ATOM 1018 HE ARG A1077 -29.426 38.408 1.823 1.00 0.00 H ATOM 1019 HH12 ARG A1077 -30.783 41.859 3.525 1.00 0.00 H ATOM 1020 HH11 ARG A1077 -29.323 41.057 4.211 1.00 0.00 H ATOM 1021 HH22 ARG A1077 -31.861 40.945 1.729 1.00 0.00 H ATOM 1022 HH21 ARG A1077 -31.255 39.418 0.991 1.00 0.00 H ATOM 1023 H ARG A1077 -26.837 35.834 5.535 1.00 0.00 H ATOM 1024 N ALA A1078 -23.651 36.526 5.604 1.00 20.45 N ATOM 1025 CA ALA A1078 -22.279 36.609 6.099 1.00 20.91 C ATOM 1026 C ALA A1078 -21.474 35.378 5.699 1.00 21.49 C ATOM 1027 O ALA A1078 -20.351 35.493 5.197 1.00 21.52 O ATOM 1028 CB ALA A1078 -22.278 36.774 7.612 1.00 20.99 C ATOM 1029 H ALA A1078 -24.430 36.511 6.293 1.00 0.00 H ATOM 1030 N CYS A1079 -22.056 34.203 5.912 1.00 22.63 N ATOM 1031 CA CYS A1079 -21.423 32.955 5.517 1.00 23.91 C ATOM 1032 C CYS A1079 -21.263 32.872 3.999 1.00 22.65 C ATOM 1033 O CYS A1079 -20.258 32.357 3.517 1.00 21.75 O ATOM 1034 CB CYS A1079 -22.204 31.752 6.047 1.00 27.29 C ATOM 1035 SG CYS A1079 -22.024 31.498 7.833 1.00 33.58 S ATOM 1036 H CYS A1079 -22.988 34.175 6.373 1.00 0.00 H ATOM 1037 N ALA A1080 -22.243 33.390 3.258 1.00 21.34 N ATOM 1038 CA ALA A1080 -22.175 33.418 1.792 1.00 21.30 C ATOM 1039 C ALA A1080 -21.068 34.347 1.288 1.00 20.70 C ATOM 1040 O ALA A1080 -20.380 34.026 0.317 1.00 20.44 O ATOM 1041 CB ALA A1080 -23.526 33.817 1.197 1.00 21.14 C ATOM 1042 H ALA A1080 -23.080 33.786 3.732 1.00 0.00 H ATOM 1043 N LEU A1081 -20.902 35.492 1.947 1.00 20.82 N ATOM 1044 CA LEU A1081 -19.810 36.427 1.641 1.00 21.47 C ATOM 1045 C LEU A1081 -18.449 35.769 1.840 1.00 21.46 C ATOM 1046 O LEU A1081 -17.566 35.864 0.982 1.00 19.83 O ATOM 1047 CB LEU A1081 -19.901 37.673 2.529 1.00 22.28 C ATOM 1048 CG LEU A1081 -18.722 38.657 2.458 1.00 23.48 C ATOM 1049 CD1 LEU A1081 -18.829 39.504 1.204 1.00 23.85 C ATOM 1050 CD2 LEU A1081 -18.681 39.533 3.702 1.00 24.61 C ATOM 1051 H LEU A1081 -21.570 35.734 2.707 1.00 0.00 H ATOM 1052 N ARG A1082 -18.283 35.130 2.994 1.00 22.79 N ATOM 1053 CA ARG A1082 -17.066 34.393 3.309 1.00 23.94 C ATOM 1054 C ARG A1082 -16.805 33.277 2.294 1.00 22.80 C ATOM 1055 O ARG A1082 -15.726 33.209 1.706 1.00 21.38 O ATOM 1056 CB ARG A1082 -17.156 33.813 4.721 1.00 26.70 C ATOM 1057 CG ARG A1082 -15.911 33.064 5.156 1.00 29.61 C ATOM 1058 CD ARG A1082 -15.829 32.905 6.664 1.00 32.76 C ATOM 1059 NE ARG A1082 -14.586 32.236 7.046 1.00 34.89 N ATOM 1060 CZ ARG A1082 -14.393 30.917 7.030 1.00 38.00 C ATOM 1061 NH1 ARG A1082 -15.367 30.084 6.669 1.00 39.65 N ATOM 1062 NH2 ARG A1082 -13.209 30.424 7.383 1.00 38.33 N ATOM 1063 HE ARG A1082 -13.793 32.834 7.353 1.00 0.00 H ATOM 1064 HH12 ARG A1082 -15.198 29.058 6.663 1.00 0.00 H ATOM 1065 HH11 ARG A1082 -16.297 30.459 6.393 1.00 0.00 H ATOM 1066 HH22 ARG A1082 -13.050 29.396 7.373 1.00 0.00 H ATOM 1067 HH21 ARG A1082 -12.442 31.066 7.669 1.00 0.00 H ATOM 1068 H ARG A1082 -19.049 35.157 3.697 1.00 0.00 H ATOM 1069 N ASP A1083 -17.799 32.416 2.085 1.00 22.53 N ATOM 1070 CA ASP A1083 -17.683 31.319 1.122 1.00 22.50 C ATOM 1071 C ASP A1083 -17.346 31.813 -0.287 1.00 20.74 C ATOM 1072 O ASP A1083 -16.529 31.209 -0.984 1.00 20.41 O ATOM 1073 CB ASP A1083 -18.978 30.507 1.062 1.00 24.67 C ATOM 1074 CG ASP A1083 -19.234 29.700 2.322 1.00 26.99 C ATOM 1075 OD1 ASP A1083 -18.334 29.600 3.181 1.00 27.71 O ATOM 1076 OD2 ASP A1083 -20.356 29.167 2.451 1.00 29.57 O ATOM 1077 H ASP A1083 -18.683 32.526 2.621 1.00 0.00 H ATOM 1078 N THR A1084 -17.975 32.907 -0.698 1.00 19.05 N ATOM 1079 CA THR A1084 -17.765 33.460 -2.037 1.00 18.66 C ATOM 1080 C THR A1084 -16.346 33.995 -2.194 1.00 17.82 C ATOM 1081 O THR A1084 -15.703 33.759 -3.211 1.00 18.00 O ATOM 1082 CB THR A1084 -18.787 34.573 -2.358 1.00 18.01 C ATOM 1083 OG1 THR A1084 -20.107 34.022 -2.325 1.00 18.18 O ATOM 1084 CG2 THR A1084 -18.533 35.172 -3.736 1.00 17.82 C ATOM 1085 HG1 THR A1084 -20.287 33.654 -1.424 1.00 0.00 H ATOM 1086 H THR A1084 -18.635 33.384 -0.051 1.00 0.00 H ATOM 1087 N ALA A1085 -15.857 34.702 -1.180 1.00 17.43 N ATOM 1088 CA ALA A1085 -14.500 35.241 -1.202 1.00 17.15 C ATOM 1089 C ALA A1085 -13.481 34.111 -1.322 1.00 17.52 C ATOM 1090 O ALA A1085 -12.602 34.151 -2.184 1.00 17.43 O ATOM 1091 CB ALA A1085 -14.235 36.073 0.047 1.00 17.03 C ATOM 1092 H ALA A1085 -16.457 34.876 -0.349 1.00 0.00 H ATOM 1093 N TYR A1086 -13.621 33.093 -0.473 1.00 18.31 N ATOM 1094 CA TYR A1086 -12.723 31.937 -0.503 1.00 19.03 C ATOM 1095 C TYR A1086 -12.784 31.177 -1.836 1.00 18.63 C ATOM 1096 O TYR A1086 -11.756 30.722 -2.333 1.00 18.35 O ATOM 1097 CB TYR A1086 -13.006 30.985 0.670 1.00 20.62 C ATOM 1098 CG TYR A1086 -12.313 31.370 1.968 1.00 21.40 C ATOM 1099 CD1 TYR A1086 -12.873 32.302 2.832 1.00 21.95 C ATOM 1100 CD2 TYR A1086 -11.099 30.790 2.333 1.00 22.77 C ATOM 1101 CE1 TYR A1086 -12.248 32.657 4.019 1.00 21.96 C ATOM 1102 CE2 TYR A1086 -10.463 31.135 3.522 1.00 23.20 C ATOM 1103 CZ TYR A1086 -11.043 32.072 4.361 1.00 22.84 C ATOM 1104 OH TYR A1086 -10.422 32.419 5.545 1.00 23.12 O ATOM 1105 HH TYR A1086 -10.969 33.096 6.017 1.00 0.00 H ATOM 1106 H TYR A1086 -14.388 33.121 0.229 1.00 0.00 H ATOM 1107 N ALA A1087 -13.977 31.055 -2.412 1.00 18.51 N ATOM 1108 CA ALA A1087 -14.154 30.338 -3.674 1.00 19.02 C ATOM 1109 C ALA A1087 -13.500 31.082 -4.841 1.00 18.55 C ATOM 1110 O ALA A1087 -12.863 30.461 -5.698 1.00 18.40 O ATOM 1111 CB ALA A1087 -15.633 30.105 -3.951 1.00 19.97 C ATOM 1112 H ALA A1087 -14.807 31.481 -1.952 1.00 0.00 H ATOM 1113 N ILE A1088 -13.651 32.407 -4.867 1.00 17.82 N ATOM 1114 CA ILE A1088 -13.013 33.227 -5.892 1.00 17.58 C ATOM 1115 C ILE A1088 -11.500 33.079 -5.775 1.00 18.14 C ATOM 1116 O ILE A1088 -10.814 32.846 -6.771 1.00 18.26 O ATOM 1117 CB ILE A1088 -13.392 34.722 -5.766 1.00 17.17 C ATOM 1118 CG1 ILE A1088 -14.858 34.945 -6.156 1.00 17.37 C ATOM 1119 CG2 ILE A1088 -12.495 35.585 -6.644 1.00 16.59 C ATOM 1120 CD1 ILE A1088 -15.390 36.304 -5.745 1.00 16.70 C ATOM 1121 H ILE A1088 -14.237 32.866 -4.140 1.00 0.00 H ATOM 1122 N ILE A1089 -10.993 33.207 -4.552 1.00 19.01 N ATOM 1123 CA ILE A1089 -9.561 33.099 -4.291 1.00 19.73 C ATOM 1124 C ILE A1089 -9.043 31.710 -4.687 1.00 20.84 C ATOM 1125 O ILE A1089 -8.003 31.602 -5.330 1.00 20.41 O ATOM 1126 CB ILE A1089 -9.220 33.444 -2.809 1.00 19.93 C ATOM 1127 CG1 ILE A1089 -9.365 34.958 -2.590 1.00 19.93 C ATOM 1128 CG2 ILE A1089 -7.806 33.019 -2.458 1.00 20.29 C ATOM 1129 CD1 ILE A1089 -9.223 35.414 -1.149 1.00 20.01 C ATOM 1130 H ILE A1089 -11.637 33.390 -3.756 1.00 0.00 H ATOM 1131 N LYS A1090 -9.775 30.658 -4.331 1.00 22.93 N ATOM 1132 CA LYS A1090 -9.379 29.294 -4.703 1.00 24.82 C ATOM 1133 C LYS A1090 -9.254 29.119 -6.216 1.00 25.00 C ATOM 1134 O LYS A1090 -8.349 28.430 -6.687 1.00 25.07 O ATOM 1135 CB LYS A1090 -10.360 28.255 -4.149 1.00 27.03 C ATOM 1136 CG LYS A1090 -9.923 26.815 -4.412 1.00 29.58 C ATOM 1137 CD LYS A1090 -10.884 25.794 -3.831 1.00 32.22 C ATOM 1138 CE LYS A1090 -10.358 24.380 -4.042 1.00 34.95 C ATOM 1139 NZ LYS A1090 -11.268 23.363 -3.444 1.00 38.01 N ATOM 1140 HZ1 LYS A1090 -11.353 23.534 -2.422 1.00 0.00 H ATOM 1141 HZ2 LYS A1090 -12.206 23.435 -3.888 1.00 0.00 H ATOM 1142 HZ3 LYS A1090 -10.878 22.413 -3.607 1.00 0.00 H ATOM 1143 H LYS A1090 -10.644 30.804 -3.779 1.00 0.00 H ATOM 1144 N GLU A1091 -10.164 29.730 -6.971 1.00 25.09 N ATOM 1145 CA GLU A1091 -10.154 29.605 -8.428 1.00 26.43 C ATOM 1146 C GLU A1091 -9.136 30.516 -9.102 1.00 24.82 C ATOM 1147 O GLU A1091 -8.622 30.174 -10.165 1.00 25.31 O ATOM 1148 CB GLU A1091 -11.540 29.899 -9.020 1.00 29.83 C ATOM 1149 CG GLU A1091 -12.564 28.804 -8.796 1.00 34.90 C ATOM 1150 CD GLU A1091 -13.698 28.840 -9.807 1.00 40.44 C ATOM 1151 OE1 GLU A1091 -14.385 29.882 -9.899 1.00 43.76 O ATOM 1152 OE2 GLU A1091 -13.910 27.821 -10.501 1.00 42.40 O ATOM 1153 H GLU A1091 -10.898 30.309 -6.515 1.00 0.00 H ATOM 1154 N GLU A1092 -8.855 31.674 -8.502 1.00 21.70 N ATOM 1155 CA GLU A1092 -8.164 32.747 -9.222 1.00 20.61 C ATOM 1156 C GLU A1092 -6.812 33.188 -8.639 1.00 20.55 C ATOM 1157 O GLU A1092 -6.064 33.891 -9.311 1.00 21.98 O ATOM 1158 CB GLU A1092 -9.103 33.953 -9.358 1.00 19.08 C ATOM 1159 CG GLU A1092 -10.432 33.597 -10.018 1.00 18.82 C ATOM 1160 CD GLU A1092 -11.383 34.772 -10.138 1.00 18.11 C ATOM 1161 OE1 GLU A1092 -10.926 35.929 -10.197 1.00 17.40 O ATOM 1162 OE2 GLU A1092 -12.604 34.537 -10.171 1.00 17.95 O ATOM 1163 H GLU A1092 -9.130 31.817 -7.509 1.00 0.00 H ATOM 1164 N LEU A1093 -6.511 32.799 -7.403 1.00 20.55 N ATOM 1165 CA LEU A1093 -5.208 33.074 -6.803 1.00 21.26 C ATOM 1166 C LEU A1093 -4.238 31.957 -7.152 1.00 22.39 C ATOM 1167 O LEU A1093 -4.494 30.796 -6.851 1.00 22.98 O ATOM 1168 CB LEU A1093 -5.320 33.169 -5.282 1.00 21.35 C ATOM 1169 CG LEU A1093 -4.030 33.410 -4.487 1.00 21.47 C ATOM 1170 CD1 LEU A1093 -3.386 34.726 -4.877 1.00 21.08 C ATOM 1171 CD2 LEU A1093 -4.321 33.373 -2.995 1.00 21.48 C ATOM 1172 H LEU A1093 -7.224 32.284 -6.848 1.00 0.00 H ATOM 1173 N ASP A1094 -3.125 32.305 -7.785 1.00 22.77 N ATOM 1174 CA ASP A1094 -2.046 31.344 -7.988 1.00 23.66 C ATOM 1175 C ASP A1094 -1.323 31.123 -6.660 1.00 23.02 C ATOM 1176 O ASP A1094 -0.862 32.079 -6.034 1.00 21.16 O ATOM 1177 CB ASP A1094 -1.081 31.841 -9.060 1.00 24.61 C ATOM 1178 CG ASP A1094 -0.054 30.792 -9.445 1.00 25.94 C ATOM 1179 OD1 ASP A1094 0.707 30.356 -8.558 1.00 26.94 O ATOM 1180 OD2 ASP A1094 -0.004 30.414 -10.631 1.00 26.48 O ATOM 1181 H ASP A1094 -3.020 33.276 -8.141 1.00 0.00 H ATOM 1182 N GLU A1095 -1.241 29.863 -6.234 1.00 24.47 N ATOM 1183 CA GLU A1095 -0.588 29.498 -4.967 1.00 26.31 C ATOM 1184 C GLU A1095 0.849 30.023 -4.867 1.00 24.05 C ATOM 1185 O GLU A1095 1.292 30.419 -3.794 1.00 23.25 O ATOM 1186 CB GLU A1095 -0.581 27.974 -4.776 1.00 30.69 C ATOM 1187 CG GLU A1095 -1.934 27.382 -4.411 1.00 35.33 C ATOM 1188 CD GLU A1095 -1.947 25.862 -4.479 1.00 40.63 C ATOM 1189 OE1 GLU A1095 -0.870 25.240 -4.336 1.00 43.90 O ATOM 1190 OE2 GLU A1095 -3.039 25.287 -4.682 1.00 45.24 O ATOM 1191 H GLU A1095 -1.654 29.109 -6.819 1.00 0.00 H ATOM 1192 N ASP A1096 1.566 30.020 -5.985 1.00 23.15 N ATOM 1193 CA ASP A1096 2.954 30.498 -6.010 1.00 23.01 C ATOM 1194 C ASP A1096 3.057 32.012 -5.877 1.00 21.65 C ATOM 1195 O ASP A1096 4.075 32.524 -5.405 1.00 20.80 O ATOM 1196 CB ASP A1096 3.659 30.035 -7.285 1.00 23.73 C ATOM 1197 CG ASP A1096 3.863 28.535 -7.322 1.00 25.61 C ATOM 1198 OD1 ASP A1096 3.961 27.918 -6.248 1.00 27.22 O ATOM 1199 OD2 ASP A1096 3.923 27.969 -8.424 1.00 27.62 O ATOM 1200 H ASP A1096 1.134 29.671 -6.864 1.00 0.00 H ATOM 1201 N PHE A1097 2.013 32.728 -6.299 1.00 20.55 N ATOM 1202 CA PHE A1097 1.963 34.170 -6.109 1.00 19.81 C ATOM 1203 C PHE A1097 1.794 34.488 -4.626 1.00 19.91 C ATOM 1204 O PHE A1097 2.495 35.348 -4.085 1.00 19.57 O ATOM 1205 CB PHE A1097 0.832 34.814 -6.917 1.00 19.14 C ATOM 1206 CG PHE A1097 0.756 36.302 -6.748 1.00 18.70 C ATOM 1207 CD1 PHE A1097 1.570 37.142 -7.498 1.00 18.85 C ATOM 1208 CD2 PHE A1097 -0.108 36.865 -5.815 1.00 18.65 C ATOM 1209 CE1 PHE A1097 1.518 38.516 -7.327 1.00 18.48 C ATOM 1210 CE2 PHE A1097 -0.163 38.236 -5.640 1.00 18.36 C ATOM 1211 CZ PHE A1097 0.652 39.063 -6.398 1.00 18.30 C ATOM 1212 H PHE A1097 1.221 32.247 -6.772 1.00 0.00 H ATOM 1213 N GLU A1098 0.861 33.792 -3.979 1.00 20.14 N ATOM 1214 CA GLU A1098 0.655 33.944 -2.547 1.00 21.23 C ATOM 1215 C GLU A1098 1.920 33.589 -1.763 1.00 22.14 C ATOM 1216 O GLU A1098 2.267 34.288 -0.824 1.00 22.35 O ATOM 1217 CB GLU A1098 -0.526 33.094 -2.065 1.00 21.50 C ATOM 1218 CG GLU A1098 -0.742 33.068 -0.548 1.00 22.66 C ATOM 1219 CD GLU A1098 -1.109 34.417 0.063 1.00 23.10 C ATOM 1220 OE1 GLU A1098 -1.202 35.421 -0.665 1.00 23.44 O ATOM 1221 OE2 GLU A1098 -1.327 34.477 1.295 1.00 24.70 O ATOM 1222 H GLU A1098 0.266 33.124 -4.510 1.00 0.00 H ATOM 1223 N GLN A1099 2.594 32.507 -2.150 1.00 23.00 N ATOM 1224 CA GLN A1099 3.819 32.081 -1.465 1.00 24.65 C ATOM 1225 C GLN A1099 4.911 33.142 -1.580 1.00 24.21 C ATOM 1226 O GLN A1099 5.609 33.426 -0.605 1.00 25.91 O ATOM 1227 CB GLN A1099 4.321 30.745 -2.024 1.00 25.89 C ATOM 1228 CG GLN A1099 5.467 30.123 -1.231 1.00 27.19 C ATOM 1229 CD GLN A1099 5.080 29.778 0.196 1.00 28.55 C ATOM 1230 OE1 GLN A1099 3.935 29.422 0.467 1.00 30.42 O ATOM 1231 NE2 GLN A1099 6.032 29.888 1.115 1.00 28.39 N ATOM 1232 HE22 GLN A1099 6.987 30.193 0.840 1.00 0.00 H ATOM 1233 HE21 GLN A1099 5.822 29.669 2.110 1.00 0.00 H ATOM 1234 H GLN A1099 2.243 31.952 -2.956 1.00 0.00 H ATOM 1235 N LEU A1100 5.055 33.723 -2.769 1.00 23.23 N ATOM 1236 CA LEU A1100 5.985 34.836 -2.976 1.00 23.22 C ATOM 1237 C LEU A1100 5.667 36.015 -2.058 1.00 23.19 C ATOM 1238 O LEU A1100 6.568 36.593 -1.450 1.00 23.02 O ATOM 1239 CB LEU A1100 5.971 35.301 -4.440 1.00 22.29 C ATOM 1240 CG LEU A1100 6.911 36.458 -4.802 1.00 22.47 C ATOM 1241 CD1 LEU A1100 8.356 36.125 -4.446 1.00 23.59 C ATOM 1242 CD2 LEU A1100 6.796 36.806 -6.279 1.00 22.18 C ATOM 1243 H LEU A1100 4.492 33.378 -3.573 1.00 0.00 H ATOM 1244 N CYS A1101 4.388 36.379 -1.969 1.00 22.71 N ATOM 1245 CA CYS A1101 3.966 37.468 -1.088 1.00 23.09 C ATOM 1246 C CYS A1101 4.342 37.159 0.355 1.00 24.85 C ATOM 1247 O CYS A1101 4.864 38.017 1.060 1.00 25.88 O ATOM 1248 CB CYS A1101 2.456 37.712 -1.184 1.00 21.80 C ATOM 1249 SG CYS A1101 1.931 38.494 -2.722 1.00 20.31 S ATOM 1250 H CYS A1101 3.675 35.879 -2.538 1.00 0.00 H ATOM 1251 N GLU A1102 4.073 35.929 0.781 1.00 26.61 N ATOM 1252 CA GLU A1102 4.349 35.511 2.147 1.00 29.16 C ATOM 1253 C GLU A1102 5.847 35.548 2.445 1.00 30.05 C ATOM 1254 O GLU A1102 6.254 35.991 3.520 1.00 30.31 O ATOM 1255 CB GLU A1102 3.761 34.117 2.418 1.00 31.94 C ATOM 1256 CG GLU A1102 2.235 34.119 2.471 1.00 34.27 C ATOM 1257 CD GLU A1102 1.622 32.788 2.885 1.00 38.30 C ATOM 1258 OE1 GLU A1102 2.369 31.893 3.332 1.00 41.68 O ATOM 1259 OE2 GLU A1102 0.376 32.643 2.774 1.00 38.71 O ATOM 1260 H GLU A1102 3.653 35.246 0.119 1.00 0.00 H ATOM 1261 N GLU A1103 6.666 35.122 1.484 1.00 29.52 N ATOM 1262 CA GLU A1103 8.117 35.115 1.677 1.00 30.34 C ATOM 1263 C GLU A1103 8.706 36.527 1.655 1.00 32.35 C ATOM 1264 O GLU A1103 9.648 36.804 2.389 1.00 34.83 O ATOM 1265 CB GLU A1103 8.805 34.175 0.674 1.00 28.94 C ATOM 1266 CG GLU A1103 8.538 32.711 1.008 1.00 28.46 C ATOM 1267 CD GLU A1103 9.107 31.723 0.007 1.00 27.95 C ATOM 1268 OE1 GLU A1103 9.924 32.114 -0.851 1.00 26.64 O ATOM 1269 OE2 GLU A1103 8.733 30.534 0.084 1.00 27.93 O ATOM 1270 H GLU A1103 6.268 34.789 0.583 1.00 0.00 H ATOM 1271 N ILE A1104 8.145 37.429 0.851 1.00 32.48 N ATOM 1272 CA ILE A1104 8.560 38.830 0.903 1.00 33.78 C ATOM 1273 C ILE A1104 8.166 39.425 2.257 1.00 37.97 C ATOM 1274 O ILE A1104 8.984 40.065 2.910 1.00 40.25 O ATOM 1275 CB ILE A1104 7.951 39.685 -0.225 1.00 32.46 C ATOM 1276 CG1 ILE A1104 8.433 39.213 -1.598 1.00 31.02 C ATOM 1277 CG2 ILE A1104 8.334 41.148 -0.045 1.00 32.66 C ATOM 1278 CD1 ILE A1104 7.647 39.810 -2.747 1.00 29.07 C ATOM 1279 H ILE A1104 7.406 37.134 0.181 1.00 0.00 H ATOM 1280 N GLN A1105 6.920 39.197 2.678 1.00 40.41 N ATOM 1281 CA GLN A1105 6.431 39.697 3.971 1.00 42.87 C ATOM 1282 C GLN A1105 7.346 39.250 5.113 1.00 45.09 C ATOM 1283 O GLN A1105 7.777 40.070 5.919 1.00 45.76 O ATOM 1284 CB GLN A1105 4.996 39.219 4.244 1.00 42.13 C ATOM 1285 CG GLN A1105 4.349 39.827 5.487 1.00 43.22 C ATOM 1286 CD GLN A1105 3.011 39.193 5.840 1.00 43.84 C ATOM 1287 OE1 GLN A1105 2.880 37.969 5.876 1.00 44.85 O ATOM 1288 NE2 GLN A1105 2.012 40.026 6.119 1.00 42.55 N ATOM 1289 HE22 GLN A1105 2.165 41.054 6.077 1.00 0.00 H ATOM 1290 HE21 GLN A1105 1.078 39.649 6.379 1.00 0.00 H ATOM 1291 H GLN A1105 6.276 38.649 2.073 1.00 0.00 H ATOM 1292 N GLU A1106 7.639 37.953 5.163 1.00 47.92 N ATOM 1293 CA GLU A1106 8.446 37.370 6.240 1.00 52.96 C ATOM 1294 C GLU A1106 9.898 37.864 6.269 1.00 56.18 C ATOM 1295 O GLU A1106 10.537 37.829 7.323 1.00 58.39 O ATOM 1296 CB GLU A1106 8.423 35.839 6.155 1.00 55.72 C ATOM 1297 CG GLU A1106 7.099 35.224 6.581 1.00 59.15 C ATOM 1298 CD GLU A1106 6.977 33.748 6.237 1.00 63.14 C ATOM 1299 OE1 GLU A1106 7.999 33.111 5.906 1.00 65.92 O ATOM 1300 OE2 GLU A1106 5.847 33.219 6.305 1.00 64.99 O ATOM 1301 H GLU A1106 7.283 37.330 4.411 1.00 0.00 H ATOM 1302 N SER A1107 10.412 38.318 5.126 1.00 57.32 N ATOM 1303 CA SER A1107 11.774 38.862 5.048 1.00 61.72 C ATOM 1304 C SER A1107 11.880 40.260 5.663 1.00 65.39 C ATOM 1305 O SER A1107 12.958 40.667 6.095 1.00 67.04 O ATOM 1306 CB SER A1107 12.257 38.913 3.595 1.00 59.79 C ATOM 1307 OG SER A1107 11.620 39.958 2.878 1.00 57.49 O ATOM 1308 HG SER A1107 11.951 39.966 1.945 1.00 0.00 H ATOM 1309 H SER A1107 9.831 38.286 4.264 1.00 0.00 H ATOM 1310 N ARG A1108 10.766 40.991 5.687 1.00 67.76 N ATOM 1311 CA ARG A1108 10.740 42.360 6.209 1.00 70.62 C ATOM 1312 C ARG A1108 10.474 42.376 7.711 1.00 73.38 C ATOM 1313 O ARG A1108 9.765 41.524 8.249 1.00 73.61 O ATOM 1314 CB ARG A1108 9.681 43.188 5.475 1.00 70.32 C ATOM 1315 CG ARG A1108 9.890 43.219 3.971 1.00 69.77 C ATOM 1316 CD ARG A1108 8.984 44.212 3.263 1.00 68.57 C ATOM 1317 NE ARG A1108 9.351 44.329 1.851 1.00 66.82 N ATOM 1318 CZ ARG A1108 8.806 45.182 0.986 1.00 65.22 C ATOM 1319 NH1 ARG A1108 7.847 46.022 1.368 1.00 66.88 N ATOM 1320 NH2 ARG A1108 9.225 45.195 -0.276 1.00 63.87 N ATOM 1321 OXT ARG A1108 10.971 43.247 8.424 1.00 75.84 O ATOM 1322 HE ARG A1108 10.096 43.696 1.495 1.00 0.00 H ATOM 1323 HH12 ARG A1108 7.431 46.683 0.681 1.00 0.00 H ATOM 1324 HH11 ARG A1108 7.514 46.018 2.353 1.00 0.00 H ATOM 1325 HH22 ARG A1108 8.804 45.859 -0.957 1.00 0.00 H ATOM 1326 HH21 ARG A1108 9.974 44.542 -0.582 1.00 0.00 H ATOM 1327 H ARG A1108 9.885 40.576 5.323 1.00 0.00 H TER 1328 ARG A1108 HETATM 1329 O HOH 1 -35.015 32.351 8.986 1.00 29.80 O HETATM 1330 O HOH 2 14.220 37.764 0.235 1.00 44.42 O HETATM 1331 O HOH 3 4.992 48.217 -1.721 1.00 45.97 O HETATM 1332 O HOH 4 4.596 51.713 -3.528 1.00 48.33 O HETATM 1333 O HOH 5 4.435 47.961 2.325 1.00 52.34 O HETATM 1334 O HOH 6 -7.152 40.443 -10.538 1.00 15.72 O HETATM 1335 O HOH 7 -15.599 48.085 -4.461 1.00 45.14 O HETATM 1336 O HOH 8 -11.460 50.010 -5.245 1.00 53.48 O HETATM 1337 O HOH 9 -18.986 36.489 -7.385 1.00 47.88 O HETATM 1338 O HOH 10 -18.146 33.612 -7.494 1.00 50.55 O HETATM 1339 O HOH 11 -26.142 46.318 -3.775 1.00 43.51 O HETATM 1340 O HOH 12 -19.558 49.911 -2.394 1.00 54.57 O HETATM 1341 O HOH 13 -31.556 42.085 -1.654 1.00 47.22 O HETATM 1342 O HOH 14 -20.845 34.418 -6.940 1.00 44.54 O HETATM 1343 O HOH 15 -16.663 51.266 11.870 1.00 62.46 O HETATM 1344 O HOH 16 -18.552 50.477 14.457 1.00 57.66 O HETATM 1345 O HOH 17 -16.340 41.662 23.562 1.00 49.77 O HETATM 1346 O HOH 18 -13.607 41.072 20.163 1.00 56.48 O HETATM 1347 O HOH 19 -9.376 49.760 16.160 1.00 56.46 O HETATM 1348 O HOH 20 -13.019 38.367 16.170 1.00 47.75 O HETATM 1349 O HOH 21 -15.578 51.797 -1.736 1.00 51.29 O HETATM 1350 O HOH 22 -11.994 54.037 -1.607 1.00 60.77 O HETATM 1351 O HOH 23 -5.121 55.594 0.408 1.00 40.46 O HETATM 1352 O HOH 24 -4.911 48.213 11.288 1.00 43.53 O HETATM 1353 O HOH 25 -9.238 34.798 11.106 1.00 35.76 O HETATM 1354 O HOH 26 -8.789 39.400 13.184 1.00 52.47 O HETATM 1355 O HOH 27 -16.961 31.506 9.897 1.00 49.31 O HETATM 1356 O HOH 28 -13.032 33.567 12.132 1.00 48.57 O HETATM 1357 O HOH 29 -11.824 35.999 15.308 1.00 57.20 O HETATM 1358 O HOH 30 -20.696 33.328 17.110 1.00 48.83 O HETATM 1359 O HOH 31 -17.373 32.738 13.988 1.00 56.13 O HETATM 1360 O HOH 32 -25.776 29.222 15.812 1.00 63.13 O HETATM 1361 O HOH 33 -26.175 30.296 8.221 1.00 54.07 O HETATM 1362 O HOH 34 -25.093 29.222 5.620 1.00 62.30 O HETATM 1363 O HOH 35 -30.081 43.938 6.361 1.00 43.58 O HETATM 1364 O HOH 36 -18.216 27.684 -1.513 1.00 48.77 O HETATM 1365 O HOH 37 -19.193 30.534 -5.111 1.00 42.24 O HETATM 1366 O HOH 38 -13.119 28.303 4.031 1.00 65.01 O HETATM 1367 O HOH 39 -11.120 27.432 0.006 1.00 45.34 O HETATM 1368 O HOH 40 -8.479 28.102 2.358 1.00 56.56 O HETATM 1369 O HOH 41 -6.909 30.591 0.497 1.00 60.56 O HETATM 1370 O HOH 42 -14.427 26.539 -3.801 1.00 36.52 O HETATM 1371 O HOH 43 -11.613 25.887 -7.440 1.00 51.14 O HETATM 1372 O HOH 44 -11.374 25.610 -12.115 1.00 56.83 O HETATM 1373 O HOH 45 -7.027 26.576 -12.957 1.00 59.30 O HETATM 1374 O HOH 46 -18.009 27.976 -5.889 1.00 46.73 O HETATM 1375 O HOH 47 0.281 26.598 -8.625 1.00 47.56 O HETATM 1376 O HOH 48 -2.685 29.961 -1.761 1.00 35.01 O HETATM 1377 O HOH 49 -25.419 54.045 1.560 1.00 58.62 O HETATM 1378 O HOH 50 -6.803 26.457 -1.510 1.00 53.56 O HETATM 1379 O HOH 51 -1.932 30.690 -18.483 1.00 50.71 O HETATM 1380 O HOH 52 -15.947 51.856 14.784 1.00 55.29 O HETATM 1381 O HOH 53 -11.605 42.833 21.199 1.00 47.77 O HETATM 1382 O HOH 54 -17.146 26.485 -3.889 1.00 45.47 O HETATM 1383 O HOH 55 11.150 47.857 -2.442 1.00 52.58 O HETATM 1384 O HOH 56 15.213 47.214 -7.286 1.00 50.81 O HETATM 1385 O HOH 57 7.707 40.831 -9.860 1.00 48.94 O HETATM 1386 O HOH 58 12.445 40.073 0.453 1.00 40.02 O HETATM 1387 O HOH 59 14.995 41.834 -1.584 1.00 55.07 O HETATM 1388 O HOH 60 3.787 48.321 -4.209 1.00 36.59 O HETATM 1389 O HOH 61 4.559 48.916 -8.875 1.00 44.08 O HETATM 1390 O HOH 62 7.540 42.583 -12.243 1.00 55.94 O HETATM 1391 O HOH 63 5.662 39.044 -8.732 1.00 36.53 O HETATM 1392 O HOH 64 -2.757 51.747 -12.860 1.00 43.81 O HETATM 1393 O HOH 65 0.742 36.651 -11.528 1.00 22.83 O HETATM 1394 O HOH 66 -1.469 38.726 -13.706 1.00 14.81 O HETATM 1395 O HOH 67 2.979 47.085 0.051 1.00 29.75 O HETATM 1396 O HOH 68 0.385 46.498 -0.487 1.00 23.29 O HETATM 1397 O HOH 69 3.560 50.555 -6.071 1.00 50.45 O HETATM 1398 O HOH 70 -8.488 45.861 -9.396 1.00 15.36 O HETATM 1399 O HOH 71 -9.185 39.457 -9.001 1.00 28.58 O HETATM 1400 O HOH 72 -11.254 46.549 -8.999 1.00 30.43 O HETATM 1401 O HOH 73 -13.017 47.513 -5.243 1.00 45.20 O HETATM 1402 O HOH 74 -2.340 52.044 -3.380 1.00 47.37 O HETATM 1403 O HOH 75 -14.194 43.217 -9.993 1.00 33.17 O HETATM 1404 O HOH 76 -17.897 48.821 -5.703 1.00 43.06 O HETATM 1405 O HOH 77 -20.561 40.248 -8.103 1.00 32.36 O HETATM 1406 O HOH 78 -20.397 37.907 -5.409 1.00 42.30 O HETATM 1407 O HOH 79 -18.000 37.934 -9.800 1.00 41.95 O HETATM 1408 O HOH 80 -17.200 35.481 -9.511 1.00 43.76 O HETATM 1409 O HOH 81 -24.023 45.113 -2.266 1.00 23.85 O HETATM 1410 O HOH 82 -21.816 48.406 -3.606 1.00 39.15 O HETATM 1411 O HOH 83 -25.329 46.089 -6.565 1.00 42.66 O HETATM 1412 O HOH 84 -27.083 38.063 -5.700 1.00 50.31 O HETATM 1413 O HOH 85 -26.464 40.897 -6.986 1.00 34.10 O HETATM 1414 O HOH 86 -29.670 44.220 -0.867 1.00 40.59 O HETATM 1415 O HOH 87 -32.859 42.917 -4.430 1.00 45.70 O HETATM 1416 O HOH 88 -27.355 42.689 2.460 1.00 25.73 O HETATM 1417 O HOH 89 -26.908 33.161 -0.652 1.00 33.36 O HETATM 1418 O HOH 90 -23.884 31.151 -2.832 1.00 47.65 O HETATM 1419 O HOH 91 -21.764 33.600 -4.444 1.00 27.38 O HETATM 1420 O HOH 92 -25.386 49.775 3.534 1.00 56.15 O HETATM 1421 O HOH 93 -21.182 46.562 7.848 1.00 35.35 O HETATM 1422 O HOH 94 -24.957 48.123 7.236 1.00 51.15 O HETATM 1423 O HOH 95 -18.089 48.805 -0.263 1.00 39.01 O HETATM 1424 O HOH 96 -23.158 50.800 0.310 1.00 58.78 O HETATM 1425 O HOH 97 -21.996 54.325 7.149 1.00 54.77 O HETATM 1426 O HOH 98 -19.314 49.844 11.872 1.00 59.65 O HETATM 1427 O HOH 99 -19.557 54.077 11.594 1.00 51.42 O HETATM 1428 O HOH 100 -25.905 51.200 10.183 1.00 53.99 O HETATM 1429 O HOH 101 -30.196 50.635 10.316 1.00 54.57 O HETATM 1430 O HOH 102 -22.368 51.949 17.089 1.00 44.11 O HETATM 1431 O HOH 103 -29.739 48.930 17.601 1.00 54.85 O HETATM 1432 O HOH 104 -21.938 42.503 11.937 1.00 22.64 O HETATM 1433 O HOH 105 -18.360 44.796 11.307 1.00 27.14 O HETATM 1434 O HOH 106 -18.827 44.087 24.379 1.00 59.25 O HETATM 1435 O HOH 107 -16.107 42.153 19.257 1.00 34.60 O HETATM 1436 O HOH 108 -19.263 41.472 22.924 1.00 65.12 O HETATM 1437 O HOH 109 -14.890 42.258 16.569 1.00 29.41 O HETATM 1438 O HOH 110 -13.174 48.839 20.045 1.00 38.64 O HETATM 1439 O HOH 111 -12.027 49.089 16.098 1.00 44.20 O HETATM 1440 O HOH 112 -13.884 47.433 25.513 1.00 74.08 O HETATM 1441 O HOH 113 -12.169 41.159 16.732 1.00 50.81 O HETATM 1442 O HOH 114 -8.162 44.218 10.814 1.00 36.14 O HETATM 1443 O HOH 115 -9.281 46.388 12.817 1.00 49.21 O HETATM 1444 O HOH 116 -8.456 40.631 18.206 1.00 42.76 O HETATM 1445 O HOH 117 -11.864 47.662 13.455 1.00 52.27 O HETATM 1446 O HOH 118 -12.670 49.001 10.086 1.00 53.26 O HETATM 1447 O HOH 119 -16.701 48.776 9.954 1.00 35.47 O HETATM 1448 O HOH 120 -19.823 44.340 8.296 1.00 23.20 O HETATM 1449 O HOH 121 -19.136 47.437 10.476 1.00 55.61 O HETATM 1450 O HOH 122 -15.963 48.130 -1.598 1.00 44.66 O HETATM 1451 O HOH 123 -13.313 52.932 0.746 1.00 36.21 O HETATM 1452 O HOH 124 -15.276 53.091 5.622 1.00 50.51 O HETATM 1453 O HOH 125 -10.152 50.730 8.068 1.00 52.42 O HETATM 1454 O HOH 126 -7.242 54.410 1.819 1.00 35.57 O HETATM 1455 O HOH 127 -12.584 53.506 5.125 1.00 45.34 O HETATM 1456 O HOH 128 -2.823 46.283 0.709 1.00 16.95 O HETATM 1457 O HOH 129 -7.715 47.620 10.630 1.00 48.97 O HETATM 1458 O HOH 130 -3.469 54.730 -2.707 1.00 57.50 O HETATM 1459 O HOH 131 -0.616 54.183 0.568 1.00 46.54 O HETATM 1460 O HOH 132 -9.615 52.311 -4.646 1.00 37.87 O HETATM 1461 O HOH 133 -9.248 54.113 -0.484 1.00 40.22 O HETATM 1462 O HOH 134 -0.214 52.291 5.986 1.00 54.15 O HETATM 1463 O HOH 135 1.706 53.283 1.767 1.00 49.73 O HETATM 1464 O HOH 136 4.294 50.432 0.893 1.00 53.73 O HETATM 1465 O HOH 137 -3.601 43.259 7.766 1.00 53.61 O HETATM 1466 O HOH 138 -0.324 45.826 7.884 1.00 49.80 O HETATM 1467 O HOH 139 -0.459 42.189 5.444 1.00 28.44 O HETATM 1468 O HOH 140 0.735 49.926 7.988 1.00 55.89 O HETATM 1469 O HOH 141 0.233 36.175 5.912 1.00 31.95 O HETATM 1470 O HOH 142 -6.532 34.127 6.782 1.00 37.18 O HETATM 1471 O HOH 143 -4.605 32.426 1.156 1.00 47.04 O HETATM 1472 O HOH 144 -5.746 41.328 8.567 1.00 37.45 O HETATM 1473 O HOH 145 -10.407 37.250 11.435 1.00 27.89 O HETATM 1474 O HOH 146 -15.134 33.676 10.005 1.00 40.42 O HETATM 1475 O HOH 147 -12.815 36.346 12.572 1.00 34.84 O HETATM 1476 O HOH 148 -8.590 34.136 8.503 1.00 43.21 O HETATM 1477 O HOH 149 -20.333 42.147 9.704 1.00 22.03 O HETATM 1478 O HOH 150 -18.525 34.750 15.720 1.00 44.15 O HETATM 1479 O HOH 151 -15.915 38.688 15.411 1.00 29.78 O HETATM 1480 O HOH 152 -14.491 32.678 14.553 1.00 58.40 O HETATM 1481 O HOH 153 -24.227 33.105 15.757 1.00 38.76 O HETATM 1482 O HOH 154 -23.310 36.375 20.191 1.00 37.32 O HETATM 1483 O HOH 155 -16.856 36.315 17.377 1.00 49.04 O HETATM 1484 O HOH 156 -26.010 41.665 20.048 1.00 50.75 O HETATM 1485 O HOH 157 -26.148 31.810 17.295 1.00 48.49 O HETATM 1486 O HOH 158 -30.280 31.038 17.454 1.00 43.76 O HETATM 1487 O HOH 159 -30.188 33.810 20.755 1.00 62.52 O HETATM 1488 O HOH 160 -30.224 39.863 18.109 1.00 48.85 O HETATM 1489 O HOH 161 -37.589 29.215 13.662 1.00 27.50 O HETATM 1490 O HOH 162 -40.865 33.420 13.457 1.00 59.24 O HETATM 1491 O HOH 163 -36.160 32.277 11.432 1.00 24.83 O HETATM 1492 O HOH 164 -32.903 33.118 19.614 1.00 47.32 O HETATM 1493 O HOH 165 -34.508 34.677 7.483 1.00 23.16 O HETATM 1494 O HOH 166 -31.797 41.256 8.655 1.00 42.66 O HETATM 1495 O HOH 167 -29.013 31.056 8.281 1.00 46.37 O HETATM 1496 O HOH 168 -30.552 29.832 14.818 1.00 48.31 O HETATM 1497 O HOH 169 -25.146 30.523 11.168 1.00 58.19 O HETATM 1498 O HOH 170 -27.914 28.387 12.541 1.00 63.24 O HETATM 1499 O HOH 171 -24.648 30.980 3.285 1.00 30.90 O HETATM 1500 O HOH 172 -32.875 42.951 2.673 1.00 41.05 O HETATM 1501 O HOH 173 -29.772 44.400 2.080 1.00 42.57 O HETATM 1502 O HOH 174 -28.645 41.504 5.766 1.00 41.43 O HETATM 1503 O HOH 175 -18.193 30.760 5.800 1.00 41.59 O HETATM 1504 O HOH 176 -21.681 31.541 -1.182 1.00 56.48 O HETATM 1505 O HOH 177 -13.397 26.496 7.603 1.00 56.03 O HETATM 1506 O HOH 178 -15.795 28.741 -0.313 1.00 25.30 O HETATM 1507 O HOH 179 -19.520 29.994 -2.549 1.00 40.36 O HETATM 1508 O HOH 180 -15.519 28.310 2.568 1.00 42.65 O HETATM 1509 O HOH 181 -22.331 28.793 4.548 1.00 55.26 O HETATM 1510 O HOH 182 -22.655 30.055 1.153 1.00 39.88 O HETATM 1511 O HOH 183 -17.246 32.398 -5.264 1.00 41.02 O HETATM 1512 O HOH 184 -9.453 29.577 -0.671 1.00 33.34 O HETATM 1513 O HOH 185 -7.593 31.930 5.658 1.00 50.77 O HETATM 1514 O HOH 186 -13.601 27.616 -1.452 1.00 29.50 O HETATM 1515 O HOH 187 -13.352 27.821 -5.896 1.00 32.59 O HETATM 1516 O HOH 188 -15.776 31.688 -7.618 1.00 46.39 O HETATM 1517 O HOH 189 -5.759 28.708 -5.370 1.00 40.48 O HETATM 1518 O HOH 190 -9.281 27.640 -11.317 1.00 45.94 O HETATM 1519 O HOH 191 -15.657 28.657 -7.570 1.00 50.50 O HETATM 1520 O HOH 192 -14.101 32.424 -10.042 1.00 30.42 O HETATM 1521 O HOH 193 -6.353 35.925 -11.168 1.00 21.93 O HETATM 1522 O HOH 194 2.134 28.443 -10.396 1.00 40.48 O HETATM 1523 O HOH 195 -1.171 32.175 -12.640 1.00 40.00 O HETATM 1524 O HOH 196 -2.201 27.722 -7.924 1.00 32.13 O HETATM 1525 O HOH 197 0.264 29.535 -1.379 1.00 38.94 O HETATM 1526 O HOH 198 2.159 25.539 -6.728 1.00 53.95 O HETATM 1527 O HOH 199 4.332 27.634 -3.442 1.00 35.89 O HETATM 1528 O HOH 200 6.790 26.175 -6.405 1.00 46.67 O HETATM 1529 O HOH 201 2.184 27.053 -1.690 1.00 59.20 O HETATM 1530 O HOH 202 1.249 30.410 0.937 1.00 43.71 O HETATM 1531 O HOH 203 11.651 35.531 3.265 1.00 38.27 O HETATM 1532 O HOH 204 11.839 34.019 -1.399 1.00 24.20 O HETATM 1533 O HOH 205 9.583 29.029 2.251 1.00 39.98 O HETATM 1534 O HOH 206 5.701 38.101 8.626 1.00 59.90 O HETATM 1535 O HOH 207 10.286 33.523 4.296 1.00 46.97 O HETATM 1536 O HOH 208 9.897 30.673 4.418 1.00 54.12 O HETATM 1537 O HOH 209 7.731 47.062 -1.436 1.00 56.85 O HETATM 1538 O HOH 210 -3.428 35.178 -11.539 1.00 59.89 O HETATM 1539 O HOH 211 -5.136 38.459 -10.864 1.00 16.57 O HETATM 1540 O HOH 212 -1.092 34.578 -10.743 1.00 42.38 O HETATM 1541 O HOH 213 -3.597 33.618 -15.061 1.00 62.08 O HETATM 1542 O HOH 214 -3.202 30.667 -14.650 1.00 72.74 O HETATM 1543 O HOH 215 -29.511 45.410 8.497 1.00 46.85 O HETATM 1544 C01 JTF A 216 -31.589 42.120 16.549 1.00 -0.04 C HETATM 1545 N01 JTF A 216 -30.708 42.166 15.385 1.00 0.23 N HETATM 1546 C02 JTF A 216 -29.315 42.088 15.814 1.00 -0.04 C HETATM 1547 H5 JTF A 216 -28.657 42.123 14.933 1.00 0.08 H HETATM 1548 H6 JTF A 216 -29.151 41.145 16.357 1.00 0.08 H HETATM 1549 H7 JTF A 216 -29.087 42.937 16.476 1.00 0.08 H HETATM 1550 C03 JTF A 216 -30.958 43.376 14.598 1.00 -0.01 C HETATM 1551 C04 JTF A 216 -30.361 43.299 13.207 1.00 0.06 C HETATM 1552 N02 JTF A 216 -29.051 43.930 13.185 1.00 -0.32 N HETATM 1553 C05 JTF A 216 -28.696 44.982 12.376 1.00 0.07 C HETATM 1554 C06 JTF A 216 -29.525 46.082 12.144 1.00 -0.06 C HETATM 1555 C07 JTF A 216 -29.122 47.125 11.326 1.00 -0.09 C HETATM 1556 C08 JTF A 216 -27.877 47.104 10.727 1.00 -0.08 C HETATM 1557 C09 JTF A 216 -27.008 46.030 10.935 1.00 -0.01 C HETATM 1558 C10 JTF A 216 -25.701 45.927 10.350 1.00 -0.05 C HETATM 1559 C11 JTF A 216 -24.881 44.875 10.570 1.00 0.03 C HETATM 1560 C12 JTF A 216 -23.515 44.797 9.944 1.00 -0.03 C HETATM 1561 H17 JTF A 216 -23.343 45.691 9.327 1.00 0.04 H HETATM 1562 H18 JTF A 216 -23.451 43.898 9.313 1.00 0.04 H HETATM 1563 H19 JTF A 216 -22.752 44.745 10.735 1.00 0.04 H HETATM 1564 C13 JTF A 216 -25.324 43.784 11.438 1.00 0.22 C HETATM 1565 O1 JTF A 216 -24.655 42.785 11.701 1.00 -0.40 O HETATM 1566 N1 JTF A 216 -26.567 43.908 11.967 1.00 -0.23 N HETATM 1567 C1 JTF A 216 -27.427 44.975 11.764 1.00 0.10 C HETATM 1568 H20 JTF A 216 -26.890 43.166 12.554 1.00 0.23 H HETATM 1569 H16 JTF A 216 -25.355 46.731 9.701 1.00 0.06 H HETATM 1570 H15 JTF A 216 -27.572 47.927 10.091 1.00 0.05 H HETATM 1571 H14 JTF A 216 -29.788 47.963 11.155 1.00 0.05 H HETATM 1572 H13 JTF A 216 -30.502 46.120 12.613 1.00 0.05 H HETATM 1573 H12 JTF A 216 -28.334 43.560 13.825 1.00 0.17 H HETATM 1574 H10 JTF A 216 -31.025 43.816 12.498 1.00 0.06 H HETATM 1575 H11 JTF A 216 -30.261 42.244 12.913 1.00 0.06 H HETATM 1576 H8 JTF A 216 -30.517 44.236 15.124 1.00 0.08 H HETATM 1577 H9 JTF A 216 -32.045 43.520 14.508 1.00 0.08 H HETATM 1578 H4 JTF A 216 -30.905 41.367 14.803 1.00 0.20 H HETATM 1579 H1 JTF A 216 -31.386 41.206 17.126 1.00 0.08 H HETATM 1580 H2 JTF A 216 -32.637 42.118 16.216 1.00 0.08 H HETATM 1581 H3 JTF A 216 -31.407 43.001 17.182 1.00 0.08 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1544 1545 1579 1580 1581 CONECT 1545 1544 1546 1550 1578 CONECT 1546 1545 1547 1548 1549 CONECT 1547 1546 CONECT 1548 1546 CONECT 1549 1546 CONECT 1550 1545 1551 1576 1577 CONECT 1551 1550 1552 1574 1575 CONECT 1552 1551 1553 1573 CONECT 1553 1552 1554 1567 CONECT 1554 1553 1555 1572 CONECT 1555 1554 1556 1571 CONECT 1556 1555 1557 1570 CONECT 1557 1556 1558 1567 CONECT 1558 1557 1559 1569 CONECT 1559 1558 1560 1564 CONECT 1560 1559 1561 1562 1563 CONECT 1561 1560 CONECT 1562 1560 CONECT 1563 1560 CONECT 1564 1559 1565 1566 CONECT 1565 1564 CONECT 1566 1564 1567 1568 CONECT 1567 1553 1557 1566 CONECT 1568 1566 CONECT 1569 1558 CONECT 1570 1556 CONECT 1571 1555 CONECT 1572 1554 CONECT 1573 1552 CONECT 1574 1551 CONECT 1575 1551 CONECT 1576 1550 CONECT 1577 1550 CONECT 1578 1545 CONECT 1579 1544 CONECT 1580 1544 CONECT 1581 1544 MASTER 0 0 0 0 0 0 0 0 1580 1 42 10 END
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Structure:
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Related entries of code: 5a5p
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130aa, >4TZ8_1|Chain... at 100%
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RCSB PDB
PDBbind
130aa, >5A5O_1|Chain... at 100%
5a5q
RCSB PDB
PDBbind
130aa, >5A5Q_1|Chain... at 100%
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130aa, >5A5R_1|Chain... at 100%
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130aa, >5A81_1|Chain... at 100%
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PDBbind
130aa, >5A82_1|Chain... at 100%
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PDBbind
130aa, >5A83_1|Chain... at 100%
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RCSB PDB
PDBbind
130aa, >5LJ0_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
5a5p
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human ATAD2 bromodomain
Ligand Name
JTF
EC.Number
E.C.3.6.1.3
Resolution
2.03(Å)
Affinity (Kd/Ki/IC50)
IC50=100uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) J.Med.Chem. Vol. 58: pp. 5649
Ligand Properties
Formula
C
1
4
H
2
0
N
3
O
Molecular Weight
246.328
Exact Mass
246.161
No. of atoms
38
No. of bonds
39
Polar Surface Area
49.33
LOGP Value
1.73 (
Computed with XLOGP3
)
0.47 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
Canonical SMILES
C[NH+](CCNc1cccc2c1[nH]c(=O)c(c2)C)C
InChI String
InChI=1S/C14H19N3O/c1-10-9-11-5-4-6-12(13(11)16-14(10)18)15-7-8-17(2)3/h4-6,9,15H,7-8H2,1-3H3,(H,16,18)/p+1
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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