Browse entries in the PDBbind-CN Database
HEADER 4TZ8_COMPLEX COMPND 4TZ8_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 UNN A 266 27 ATOM 1 N SER A 979 -12.631 -46.099 135.051 1.00 45.14 N ATOM 2 CA SER A 979 -13.076 -46.370 133.689 1.00 50.65 C ATOM 3 C SER A 979 -11.916 -46.831 132.815 1.00 78.79 C ATOM 4 O SER A 979 -10.764 -46.837 133.250 1.00 68.75 O ATOM 5 CB SER A 979 -13.729 -45.128 133.078 1.00 67.11 C ATOM 6 OG SER A 979 -12.803 -44.060 132.983 1.00 55.94 O ATOM 7 HG SER A 979 -13.250 -43.271 132.586 1.00 0.00 H ATOM 8 HN3 SER A 979 -11.908 -45.352 135.036 1.00 0.00 H ATOM 9 HN2 SER A 979 -12.228 -46.965 135.462 1.00 0.00 H ATOM 10 HN1 SER A 979 -13.441 -45.787 135.624 1.00 0.00 H ATOM 11 N MET A 980 -12.226 -47.220 131.581 1.00 80.69 N ATOM 12 CA MET A 980 -11.199 -47.630 130.632 1.00 75.78 C ATOM 13 C MET A 980 -10.339 -46.436 130.233 1.00 60.01 C ATOM 14 O MET A 980 -9.143 -46.575 129.981 1.00 66.04 O ATOM 15 CB MET A 980 -11.830 -48.268 129.392 1.00 64.73 C ATOM 16 H MET A 980 -13.224 -47.232 131.287 1.00 0.00 H ATOM 17 N GLN A 981 -10.962 -45.263 130.183 1.00 54.23 N ATOM 18 CA GLN A 981 -10.262 -44.032 129.840 1.00 59.12 C ATOM 19 C GLN A 981 -9.237 -43.668 130.912 1.00 61.73 C ATOM 20 O GLN A 981 -8.159 -43.157 130.609 1.00 49.62 O ATOM 21 CB GLN A 981 -11.259 -42.886 129.652 1.00 58.28 C ATOM 22 CG GLN A 981 -12.377 -43.188 128.664 1.00 64.61 C ATOM 23 H GLN A 981 -11.979 -45.223 130.395 1.00 0.00 H ATOM 24 N GLU A 982 -9.580 -43.939 132.167 1.00 43.74 N ATOM 25 CA GLU A 982 -8.709 -43.606 133.288 1.00 48.71 C ATOM 26 C GLU A 982 -7.532 -44.571 133.381 1.00 43.53 C ATOM 27 O GLU A 982 -6.424 -44.176 133.747 1.00 39.06 O ATOM 28 CB GLU A 982 -9.504 -43.599 134.596 1.00 39.79 C ATOM 29 CG GLU A 982 -10.513 -42.462 134.688 1.00 49.25 C ATOM 30 CD GLU A 982 -11.306 -42.478 135.981 1.00 53.63 C ATOM 31 OE1 GLU A 982 -11.339 -43.533 136.649 1.00 58.17 O ATOM 32 OE2 GLU A 982 -11.894 -41.431 136.328 1.00 53.64 O ATOM 33 H GLU A 982 -10.493 -44.400 132.354 1.00 0.00 H ATOM 34 N GLU A 983 -7.774 -45.834 133.043 1.00 37.93 N ATOM 35 CA GLU A 983 -6.709 -46.828 133.001 1.00 43.24 C ATOM 36 C GLU A 983 -5.690 -46.469 131.924 1.00 39.76 C ATOM 37 O GLU A 983 -4.498 -46.736 132.074 1.00 36.50 O ATOM 38 CB GLU A 983 -7.278 -48.228 132.747 1.00 48.79 C ATOM 39 CG GLU A 983 -8.183 -48.747 133.853 1.00 59.40 C ATOM 40 H GLU A 983 -8.745 -46.119 132.803 1.00 0.00 H ATOM 41 N ASP A 984 -6.170 -45.862 130.841 1.00 34.50 N ATOM 42 CA ASP A 984 -5.300 -45.414 129.759 1.00 35.22 C ATOM 43 C ASP A 984 -4.379 -44.290 130.224 1.00 39.28 C ATOM 44 O ASP A 984 -3.206 -44.243 129.853 1.00 30.45 O ATOM 45 CB ASP A 984 -6.123 -44.943 128.555 1.00 38.40 C ATOM 46 CG ASP A 984 -6.778 -46.092 127.804 1.00 46.66 C ATOM 47 OD1 ASP A 984 -6.375 -47.256 128.014 1.00 44.30 O ATOM 48 OD2 ASP A 984 -7.690 -45.826 126.993 1.00 56.77 O ATOM 49 H ASP A 984 -7.195 -45.702 130.764 1.00 0.00 H ATOM 50 N THR A 985 -4.924 -43.385 131.032 1.00 29.23 N ATOM 51 CA THR A 985 -4.166 -42.251 131.550 1.00 37.07 C ATOM 52 C THR A 985 -3.007 -42.716 132.425 1.00 34.89 C ATOM 53 O THR A 985 -1.880 -42.252 132.273 1.00 30.11 O ATOM 54 CB THR A 985 -5.065 -41.299 132.366 1.00 34.67 C ATOM 55 OG1 THR A 985 -6.139 -40.835 131.543 1.00 34.68 O ATOM 56 CG2 THR A 985 -4.270 -40.103 132.867 1.00 33.00 C ATOM 57 HG1 THR A 985 -6.673 -41.609 131.232 1.00 0.00 H ATOM 58 H THR A 985 -5.923 -43.489 131.303 1.00 0.00 H ATOM 59 N PHE A 986 -3.293 -43.640 133.336 1.00 26.89 N ATOM 60 CA PHE A 986 -2.277 -44.150 134.247 1.00 32.84 C ATOM 61 C PHE A 986 -1.234 -44.986 133.515 1.00 29.50 C ATOM 62 O PHE A 986 -0.070 -45.016 133.907 1.00 33.43 O ATOM 63 CB PHE A 986 -2.926 -44.967 135.363 1.00 37.45 C ATOM 64 CG PHE A 986 -3.644 -44.129 136.379 1.00 40.04 C ATOM 65 CD1 PHE A 986 -3.114 -42.918 136.790 1.00 39.84 C ATOM 66 CD2 PHE A 986 -4.851 -44.542 136.913 1.00 36.25 C ATOM 67 CE1 PHE A 986 -3.769 -42.137 137.722 1.00 39.90 C ATOM 68 CE2 PHE A 986 -5.511 -43.766 137.845 1.00 34.30 C ATOM 69 CZ PHE A 986 -4.968 -42.563 138.250 1.00 34.08 C ATOM 70 H PHE A 986 -4.264 -44.007 133.400 1.00 0.00 H ATOM 71 N ARG A 987 -1.651 -45.661 132.450 1.00 26.52 N ATOM 72 CA ARG A 987 -0.714 -46.429 131.644 1.00 32.12 C ATOM 73 C ARG A 987 0.231 -45.486 130.905 1.00 28.69 C ATOM 74 O ARG A 987 1.426 -45.757 130.794 1.00 28.47 O ATOM 75 CB ARG A 987 -1.457 -47.332 130.659 1.00 32.80 C ATOM 76 CG ARG A 987 -0.547 -48.205 129.807 1.00 38.20 C ATOM 77 CD ARG A 987 -1.276 -49.444 129.295 1.00 37.54 C ATOM 78 NE ARG A 987 -2.636 -49.141 128.853 1.00 92.60 N ATOM 79 CZ ARG A 987 -3.737 -49.521 129.495 1.00 83.64 C ATOM 80 NH1 ARG A 987 -3.648 -50.231 130.614 1.00 63.86 N ATOM 81 NH2 ARG A 987 -4.930 -49.193 129.017 1.00 56.68 N ATOM 82 HE ARG A 987 -2.750 -48.591 127.978 1.00 0.00 H ATOM 83 HH12 ARG A 987 -4.512 -50.526 131.113 1.00 0.00 H ATOM 84 HH11 ARG A 987 -2.715 -50.492 130.991 1.00 0.00 H ATOM 85 HH22 ARG A 987 -5.791 -49.490 129.519 1.00 0.00 H ATOM 86 HH21 ARG A 987 -5.004 -48.639 128.140 1.00 0.00 H ATOM 87 H ARG A 987 -2.658 -45.640 132.189 1.00 0.00 H ATOM 88 N GLU A 988 -0.306 -44.374 130.411 1.00 26.98 N ATOM 89 CA GLU A 988 0.522 -43.366 129.758 1.00 26.89 C ATOM 90 C GLU A 988 1.514 -42.775 130.752 1.00 28.31 C ATOM 91 O GLU A 988 2.678 -42.548 130.423 1.00 29.65 O ATOM 92 CB GLU A 988 -0.338 -42.260 129.145 1.00 29.67 C ATOM 93 CG GLU A 988 0.476 -41.123 128.547 1.00 30.60 C ATOM 94 CD GLU A 988 -0.344 -40.220 127.648 1.00 38.36 C ATOM 95 OE1 GLU A 988 0.231 -39.269 127.080 1.00 45.55 O ATOM 96 OE2 GLU A 988 -1.559 -40.463 127.506 1.00 43.70 O ATOM 97 H GLU A 988 -1.332 -44.221 130.491 1.00 0.00 H ATOM 98 N LEU A 989 1.044 -42.537 131.973 1.00 24.25 N ATOM 99 CA LEU A 989 1.909 -42.061 133.044 1.00 26.17 C ATOM 100 C LEU A 989 3.063 -43.025 133.297 1.00 27.04 C ATOM 101 O LEU A 989 4.215 -42.605 133.388 1.00 31.36 O ATOM 102 CB LEU A 989 1.114 -41.858 134.333 1.00 24.35 C ATOM 103 CG LEU A 989 1.978 -41.519 135.551 1.00 30.44 C ATOM 104 CD1 LEU A 989 2.691 -40.183 135.372 1.00 22.76 C ATOM 105 CD2 LEU A 989 1.142 -41.519 136.813 1.00 31.06 C ATOM 106 H LEU A 989 0.035 -42.694 132.168 1.00 0.00 H ATOM 107 N ARG A 990 2.752 -44.315 133.403 1.00 29.19 N ATOM 108 CA ARG A 990 3.772 -45.329 133.671 1.00 28.70 C ATOM 109 C ARG A 990 4.809 -45.399 132.552 1.00 27.41 C ATOM 110 O ARG A 990 6.004 -45.550 132.811 1.00 26.80 O ATOM 111 CB ARG A 990 3.129 -46.704 133.871 1.00 25.70 C ATOM 112 CG ARG A 990 2.260 -46.806 135.115 1.00 27.15 C ATOM 113 CD ARG A 990 1.947 -48.257 135.454 1.00 30.82 C ATOM 114 NE ARG A 990 1.147 -48.917 134.426 1.00 27.89 N ATOM 115 CZ ARG A 990 -0.180 -48.858 134.363 1.00 32.85 C ATOM 116 NH1 ARG A 990 -0.859 -48.159 135.264 1.00 27.00 N ATOM 117 NH2 ARG A 990 -0.828 -49.495 133.397 1.00 28.83 N ATOM 118 HE ARG A 990 1.646 -49.467 133.698 1.00 0.00 H ATOM 119 HH12 ARG A 990 -1.897 -48.114 135.213 1.00 0.00 H ATOM 120 HH11 ARG A 990 -0.353 -47.656 136.021 1.00 0.00 H ATOM 121 HH22 ARG A 990 -1.866 -49.448 133.348 1.00 0.00 H ATOM 122 HH21 ARG A 990 -0.298 -50.041 132.688 1.00 0.00 H ATOM 123 H ARG A 990 1.761 -44.609 133.293 1.00 0.00 H ATOM 124 N ILE A 991 4.344 -45.292 131.312 1.00 21.51 N ATOM 125 CA ILE A 991 5.232 -45.267 130.153 1.00 24.75 C ATOM 126 C ILE A 991 6.172 -44.065 130.223 1.00 27.29 C ATOM 127 O ILE A 991 7.373 -44.189 129.980 1.00 30.63 O ATOM 128 CB ILE A 991 4.434 -45.227 128.838 1.00 28.06 C ATOM 129 CG1 ILE A 991 3.688 -46.548 128.637 1.00 35.44 C ATOM 130 CG2 ILE A 991 5.352 -44.954 127.656 1.00 23.32 C ATOM 131 CD1 ILE A 991 2.663 -46.512 127.525 1.00 36.03 C ATOM 132 H ILE A 991 3.317 -45.224 131.162 1.00 0.00 H ATOM 133 N PHE A 992 5.619 -42.907 130.572 1.00 25.94 N ATOM 134 CA PHE A 992 6.408 -41.689 130.721 1.00 26.35 C ATOM 135 C PHE A 992 7.433 -41.821 131.848 1.00 34.54 C ATOM 136 O PHE A 992 8.583 -41.406 131.700 1.00 27.51 O ATOM 137 CB PHE A 992 5.493 -40.489 130.978 1.00 27.48 C ATOM 138 CG PHE A 992 6.228 -39.231 131.347 1.00 29.45 C ATOM 139 CD1 PHE A 992 6.961 -38.535 130.398 1.00 30.63 C ATOM 140 CD2 PHE A 992 6.179 -38.738 132.641 1.00 28.02 C ATOM 141 CE1 PHE A 992 7.638 -37.375 130.736 1.00 32.21 C ATOM 142 CE2 PHE A 992 6.852 -37.578 132.985 1.00 36.05 C ATOM 143 CZ PHE A 992 7.582 -36.895 132.031 1.00 27.24 C ATOM 144 H PHE A 992 4.594 -42.869 130.744 1.00 0.00 H ATOM 145 N LEU A 993 7.015 -42.408 132.967 1.00 26.02 N ATOM 146 CA LEU A 993 7.889 -42.555 134.129 1.00 26.96 C ATOM 147 C LEU A 993 9.012 -43.562 133.887 1.00 27.63 C ATOM 148 O LEU A 993 10.129 -43.374 134.367 1.00 29.31 O ATOM 149 CB LEU A 993 7.083 -42.967 135.361 1.00 26.76 C ATOM 150 CG LEU A 993 6.090 -41.937 135.900 1.00 27.59 C ATOM 151 CD1 LEU A 993 5.466 -42.421 137.203 1.00 21.21 C ATOM 152 CD2 LEU A 993 6.759 -40.583 136.085 1.00 28.78 C ATOM 153 H LEU A 993 6.042 -42.771 133.016 1.00 0.00 H ATOM 154 N ARG A 994 8.714 -44.633 133.157 1.00 23.69 N ATOM 155 CA ARG A 994 9.739 -45.607 132.791 1.00 27.84 C ATOM 156 C ARG A 994 10.802 -44.959 131.914 1.00 31.25 C ATOM 157 O ARG A 994 11.993 -45.242 132.047 1.00 27.07 O ATOM 158 CB ARG A 994 9.131 -46.808 132.060 1.00 31.62 C ATOM 159 CG ARG A 994 8.368 -47.778 132.947 1.00 27.89 C ATOM 160 CD ARG A 994 7.964 -49.030 132.177 1.00 31.19 C ATOM 161 NE ARG A 994 6.919 -49.771 132.876 1.00 31.56 N ATOM 162 CZ ARG A 994 5.626 -49.701 132.576 1.00 38.94 C ATOM 163 NH1 ARG A 994 5.216 -48.933 131.576 1.00 31.73 N ATOM 164 NH2 ARG A 994 4.744 -50.404 133.274 1.00 35.71 N ATOM 165 HE ARG A 994 7.204 -50.394 133.659 1.00 0.00 H ATOM 166 HH12 ARG A 994 4.204 -48.879 131.343 1.00 0.00 H ATOM 167 HH11 ARG A 994 5.906 -48.384 131.025 1.00 0.00 H ATOM 168 HH22 ARG A 994 3.732 -50.349 133.039 1.00 0.00 H ATOM 169 HH21 ARG A 994 5.064 -51.010 134.056 1.00 0.00 H ATOM 170 H ARG A 994 7.734 -44.780 132.841 1.00 0.00 H ATOM 171 N ASN A 995 10.363 -44.090 131.012 1.00 27.59 N ATOM 172 CA ASN A 995 11.278 -43.407 130.106 1.00 26.81 C ATOM 173 C ASN A 995 12.227 -42.484 130.864 1.00 28.21 C ATOM 174 O ASN A 995 13.440 -42.527 130.664 1.00 25.73 O ATOM 175 CB ASN A 995 10.500 -42.615 129.058 1.00 31.83 C ATOM 176 CG ASN A 995 11.407 -41.859 128.112 1.00 37.97 C ATOM 177 OD1 ASN A 995 11.735 -40.699 128.348 1.00 34.29 O ATOM 178 ND2 ASN A 995 11.822 -42.517 127.035 1.00 41.75 N ATOM 179 HD22 ASN A 995 11.518 -43.499 126.876 1.00 0.00 H ATOM 180 HD21 ASN A 995 12.451 -42.050 126.351 1.00 0.00 H ATOM 181 H ASN A 995 9.344 -43.892 130.950 1.00 0.00 H ATOM 182 N VAL A 996 11.664 -41.660 131.741 1.00 25.14 N ATOM 183 CA VAL A 996 12.457 -40.751 132.557 1.00 25.35 C ATOM 184 C VAL A 996 13.453 -41.514 133.429 1.00 31.73 C ATOM 185 O VAL A 996 14.632 -41.166 133.488 1.00 33.12 O ATOM 186 CB VAL A 996 11.561 -39.879 133.457 1.00 28.79 C ATOM 187 CG1 VAL A 996 12.406 -39.039 134.398 1.00 22.34 C ATOM 188 CG2 VAL A 996 10.654 -39.000 132.608 1.00 26.20 C ATOM 189 H VAL A 996 10.629 -41.664 131.848 1.00 0.00 H ATOM 190 N THR A 997 12.975 -42.564 134.090 1.00 24.76 N ATOM 191 CA THR A 997 13.812 -43.339 135.000 1.00 27.62 C ATOM 192 C THR A 997 14.949 -44.038 134.257 1.00 27.75 C ATOM 193 O THR A 997 16.064 -44.138 134.770 1.00 27.86 O ATOM 194 CB THR A 997 12.988 -44.388 135.768 1.00 26.13 C ATOM 195 OG1 THR A 997 11.827 -43.765 136.334 1.00 27.56 O ATOM 196 CG2 THR A 997 13.821 -45.005 136.883 1.00 32.54 C ATOM 197 HG1 THR A 997 11.275 -43.378 135.609 1.00 0.00 H ATOM 198 H THR A 997 11.981 -42.839 133.955 1.00 0.00 H ATOM 199 N HIS A 998 14.668 -44.511 133.048 1.00 22.94 N ATOM 200 CA HIS A 998 15.690 -45.161 132.235 1.00 32.56 C ATOM 201 C HIS A 998 16.808 -44.196 131.863 1.00 34.38 C ATOM 202 O HIS A 998 17.978 -44.572 131.834 1.00 33.21 O ATOM 203 CB HIS A 998 15.082 -45.750 130.963 1.00 32.42 C ATOM 204 CG HIS A 998 16.084 -46.416 130.073 1.00 44.92 C ATOM 205 ND1 HIS A 998 16.633 -45.793 128.973 1.00 60.52 N ATOM 206 CD2 HIS A 998 16.645 -47.647 130.127 1.00 54.22 C ATOM 207 CE1 HIS A 998 17.485 -46.613 128.384 1.00 45.55 C ATOM 208 NE2 HIS A 998 17.512 -47.745 129.065 1.00 64.39 N ATOM 209 H HIS A 998 13.702 -44.416 132.674 1.00 0.00 H ATOM 210 N ARG A 999 16.442 -42.953 131.573 1.00 27.57 N ATOM 211 CA ARG A 999 17.426 -41.950 131.187 1.00 29.56 C ATOM 212 C ARG A 999 18.299 -41.561 132.377 1.00 29.93 C ATOM 213 O ARG A 999 19.465 -41.207 132.210 1.00 35.29 O ATOM 214 CB ARG A 999 16.731 -40.723 130.593 1.00 25.30 C ATOM 215 CG ARG A 999 16.241 -40.945 129.166 1.00 39.00 C ATOM 216 CD ARG A 999 14.954 -40.184 128.878 1.00 31.13 C ATOM 217 NE ARG A 999 15.180 -38.758 128.695 1.00 29.48 N ATOM 218 CZ ARG A 999 14.212 -37.866 128.513 1.00 33.01 C ATOM 219 NH1 ARG A 999 12.944 -38.252 128.493 1.00 30.71 N ATOM 220 NH2 ARG A 999 14.513 -36.585 128.351 1.00 22.77 N ATOM 221 HE ARG A 999 16.162 -38.415 128.707 1.00 0.00 H ATOM 222 HH12 ARG A 999 12.189 -37.551 128.350 1.00 0.00 H ATOM 223 HH11 ARG A 999 12.704 -39.256 128.620 1.00 0.00 H ATOM 224 HH22 ARG A 999 13.755 -35.887 128.209 1.00 0.00 H ATOM 225 HH21 ARG A 999 15.507 -36.278 128.366 1.00 0.00 H ATOM 226 H ARG A 999 15.437 -42.691 131.622 1.00 0.00 H ATOM 227 N LEU A1000 17.736 -41.641 133.578 1.00 30.82 N ATOM 228 CA LEU A1000 18.508 -41.400 134.790 1.00 28.00 C ATOM 229 C LEU A1000 19.443 -42.573 135.059 1.00 31.13 C ATOM 230 O LEU A1000 20.608 -42.387 135.413 1.00 30.91 O ATOM 231 CB LEU A1000 17.584 -41.181 135.988 1.00 24.86 C ATOM 232 CG LEU A1000 16.645 -39.974 135.948 1.00 27.76 C ATOM 233 CD1 LEU A1000 15.805 -39.920 137.211 1.00 25.34 C ATOM 234 CD2 LEU A1000 17.432 -38.684 135.775 1.00 28.22 C ATOM 235 H LEU A1000 16.727 -41.880 133.654 1.00 0.00 H ATOM 236 N ALA A1001 18.921 -43.781 134.869 1.00 27.85 N ATOM 237 CA ALA A1001 19.627 -45.006 135.226 1.00 35.93 C ATOM 238 C ALA A1001 20.848 -45.279 134.352 1.00 35.55 C ATOM 239 O ALA A1001 21.788 -45.935 134.793 1.00 31.62 O ATOM 240 CB ALA A1001 18.671 -46.194 135.166 1.00 32.34 C ATOM 241 H ALA A1001 17.972 -43.855 134.449 1.00 0.00 H ATOM 242 N ILE A1002 20.835 -44.782 133.119 1.00 28.95 N ATOM 243 CA ILE A1002 21.949 -45.024 132.206 1.00 39.32 C ATOM 244 C ILE A1002 23.043 -43.969 132.349 1.00 42.56 C ATOM 245 O ILE A1002 24.135 -44.123 131.805 1.00 40.03 O ATOM 246 CB ILE A1002 21.486 -45.061 130.737 1.00 34.88 C ATOM 247 CG1 ILE A1002 20.898 -43.710 130.329 1.00 32.39 C ATOM 248 CG2 ILE A1002 20.489 -46.189 130.520 1.00 38.54 C ATOM 249 CD1 ILE A1002 20.443 -43.654 128.888 1.00 48.15 C ATOM 250 H ILE A1002 20.023 -44.215 132.801 1.00 0.00 H ATOM 251 N ASP A1003 22.745 -42.899 133.078 1.00 35.52 N ATOM 252 CA ASP A1003 23.725 -41.848 133.329 1.00 33.58 C ATOM 253 C ASP A1003 24.788 -42.351 134.305 1.00 40.07 C ATOM 254 O ASP A1003 24.473 -42.720 135.437 1.00 34.44 O ATOM 255 CB ASP A1003 23.035 -40.593 133.873 1.00 31.91 C ATOM 256 CG ASP A1003 23.938 -39.371 133.861 1.00 33.55 C ATOM 257 OD1 ASP A1003 25.110 -39.480 134.277 1.00 38.27 O ATOM 258 OD2 ASP A1003 23.469 -38.293 133.434 1.00 35.40 O ATOM 259 H ASP A1003 21.790 -42.809 133.479 1.00 0.00 H ATOM 260 N LYS A1004 26.043 -42.354 133.861 1.00 34.24 N ATOM 261 CA LYS A1004 27.149 -42.913 134.641 1.00 38.87 C ATOM 262 C LYS A1004 27.327 -42.257 136.009 1.00 32.48 C ATOM 263 O LYS A1004 27.805 -42.893 136.947 1.00 41.22 O ATOM 264 CB LYS A1004 28.458 -42.809 133.854 1.00 36.08 C ATOM 265 CG LYS A1004 28.686 -43.951 132.877 1.00 64.79 C ATOM 266 H LYS A1004 26.245 -41.945 132.927 1.00 0.00 H ATOM 267 N ARG A1005 26.944 -40.990 136.118 1.00 33.14 N ATOM 268 CA ARG A1005 27.022 -40.278 137.389 1.00 29.44 C ATOM 269 C ARG A1005 26.128 -40.906 138.453 1.00 37.11 C ATOM 270 O ARG A1005 26.391 -40.778 139.647 1.00 38.36 O ATOM 271 CB ARG A1005 26.632 -38.812 137.212 1.00 34.33 C ATOM 272 CG ARG A1005 27.545 -38.009 136.311 1.00 36.11 C ATOM 273 CD ARG A1005 26.995 -36.605 136.132 1.00 36.51 C ATOM 274 NE ARG A1005 25.706 -36.616 135.448 1.00 30.33 N ATOM 275 CZ ARG A1005 24.930 -35.547 135.299 1.00 35.75 C ATOM 276 NH1 ARG A1005 25.309 -34.377 135.797 1.00 32.21 N ATOM 277 NH2 ARG A1005 23.773 -35.648 134.657 1.00 29.93 N ATOM 278 HE ARG A1005 25.373 -37.518 135.052 1.00 0.00 H ATOM 279 HH12 ARG A1005 24.702 -33.541 135.680 1.00 0.00 H ATOM 280 HH11 ARG A1005 26.213 -34.296 136.304 1.00 0.00 H ATOM 281 HH22 ARG A1005 23.167 -34.810 134.542 1.00 0.00 H ATOM 282 HH21 ARG A1005 23.472 -36.565 134.269 1.00 0.00 H ATOM 283 H ARG A1005 26.581 -40.495 135.279 1.00 0.00 H ATOM 284 N PHE A1006 25.071 -41.583 138.016 1.00 33.19 N ATOM 285 CA PHE A1006 24.034 -42.044 138.932 1.00 36.99 C ATOM 286 C PHE A1006 24.060 -43.552 139.148 1.00 36.88 C ATOM 287 O PHE A1006 23.101 -44.124 139.669 1.00 37.13 O ATOM 288 CB PHE A1006 22.658 -41.623 138.414 1.00 24.82 C ATOM 289 CG PHE A1006 22.551 -40.157 138.099 1.00 35.47 C ATOM 290 CD1 PHE A1006 23.232 -39.220 138.858 1.00 23.03 C ATOM 291 CD2 PHE A1006 21.776 -39.718 137.040 1.00 30.49 C ATOM 292 CE1 PHE A1006 23.139 -37.873 138.567 1.00 34.57 C ATOM 293 CE2 PHE A1006 21.678 -38.373 136.745 1.00 27.23 C ATOM 294 CZ PHE A1006 22.361 -37.449 137.508 1.00 33.96 C ATOM 295 H PHE A1006 24.982 -41.788 137.000 1.00 0.00 H ATOM 296 N ARG A1007 25.157 -44.189 138.752 1.00 33.36 N ATOM 297 CA ARG A1007 25.285 -45.641 138.859 1.00 40.35 C ATOM 298 C ARG A1007 25.094 -46.122 140.295 1.00 29.31 C ATOM 299 O ARG A1007 24.516 -47.183 140.537 1.00 33.91 O ATOM 300 CB ARG A1007 26.648 -46.094 138.332 1.00 44.65 C ATOM 301 CG ARG A1007 26.914 -47.584 138.495 1.00 45.81 C ATOM 302 CD ARG A1007 28.403 -47.880 138.424 1.00 61.60 C ATOM 303 NE ARG A1007 29.184 -46.827 139.070 1.00104.24 N ATOM 304 CZ ARG A1007 29.389 -46.735 140.381 1.00 95.66 C ATOM 305 NH1 ARG A1007 28.873 -47.639 141.206 1.00 60.56 N ATOM 306 NH2 ARG A1007 30.111 -45.734 140.868 1.00 84.98 N ATOM 307 HE ARG A1007 29.609 -46.098 138.462 1.00 0.00 H ATOM 308 HH12 ARG A1007 29.037 -47.562 142.230 1.00 0.00 H ATOM 309 HH11 ARG A1007 28.305 -48.424 140.828 1.00 0.00 H ATOM 310 HH22 ARG A1007 30.273 -45.660 141.893 1.00 0.00 H ATOM 311 HH21 ARG A1007 30.515 -45.023 140.225 1.00 0.00 H ATOM 312 H ARG A1007 25.946 -43.639 138.355 1.00 0.00 H ATOM 313 N VAL A1008 25.567 -45.324 141.243 1.00 30.83 N ATOM 314 CA VAL A1008 25.482 -45.670 142.653 1.00 35.87 C ATOM 315 C VAL A1008 24.027 -45.716 143.135 1.00 42.54 C ATOM 316 O VAL A1008 23.710 -46.390 144.114 1.00 38.55 O ATOM 317 CB VAL A1008 26.295 -44.672 143.512 1.00 46.79 C ATOM 318 CG1 VAL A1008 25.608 -43.317 143.563 1.00 51.58 C ATOM 319 CG2 VAL A1008 26.510 -45.212 144.908 1.00 53.13 C ATOM 320 H VAL A1008 26.012 -44.424 140.970 1.00 0.00 H ATOM 321 N PHE A1009 23.140 -45.020 142.430 1.00 37.08 N ATOM 322 CA PHE A1009 21.738 -44.957 142.831 1.00 40.32 C ATOM 323 C PHE A1009 20.863 -45.948 142.066 1.00 32.92 C ATOM 324 O PHE A1009 19.640 -45.920 142.188 1.00 41.74 O ATOM 325 CB PHE A1009 21.190 -43.541 142.638 1.00 37.95 C ATOM 326 CG PHE A1009 22.042 -42.468 143.256 1.00 41.32 C ATOM 327 CD1 PHE A1009 22.217 -42.405 144.628 1.00 32.09 C ATOM 328 CD2 PHE A1009 22.654 -41.511 142.463 1.00 40.36 C ATOM 329 CE1 PHE A1009 22.997 -41.415 145.198 1.00 37.34 C ATOM 330 CE2 PHE A1009 23.433 -40.517 143.026 1.00 38.27 C ATOM 331 CZ PHE A1009 23.605 -40.469 144.396 1.00 41.74 C ATOM 332 H PHE A1009 23.451 -44.511 141.578 1.00 0.00 H ATOM 333 N THR A1010 21.486 -46.824 141.284 1.00 36.57 N ATOM 334 CA THR A1010 20.738 -47.739 140.425 1.00 37.18 C ATOM 335 C THR A1010 20.388 -49.052 141.120 1.00 39.06 C ATOM 336 O THR A1010 19.497 -49.777 140.679 1.00 40.37 O ATOM 337 CB THR A1010 21.517 -48.057 139.135 1.00 39.43 C ATOM 338 OG1 THR A1010 22.812 -48.572 139.469 1.00 39.29 O ATOM 339 CG2 THR A1010 21.677 -46.803 138.290 1.00 34.59 C ATOM 340 HG1 THR A1010 23.309 -47.897 139.996 1.00 0.00 H ATOM 341 H THR A1010 22.525 -46.859 141.284 1.00 0.00 H ATOM 342 N LYS A1011 21.091 -49.354 142.205 1.00 41.31 N ATOM 343 CA LYS A1011 20.858 -50.586 142.947 1.00 39.02 C ATOM 344 C LYS A1011 20.670 -50.288 144.429 1.00 29.80 C ATOM 345 O LYS A1011 21.191 -49.294 144.933 1.00 37.79 O ATOM 346 CB LYS A1011 22.023 -51.561 142.745 1.00 52.24 C ATOM 347 CG LYS A1011 22.227 -51.999 141.303 1.00 55.46 C ATOM 348 CD LYS A1011 23.501 -52.815 141.147 1.00 71.37 C ATOM 349 H LYS A1011 21.826 -48.695 142.533 1.00 0.00 H ATOM 350 N PRO A1012 19.913 -51.145 145.133 1.00 40.47 N ATOM 351 CA PRO A1012 19.765 -50.992 146.583 1.00 36.38 C ATOM 352 C PRO A1012 21.105 -51.132 147.298 1.00 41.63 C ATOM 353 O PRO A1012 22.040 -51.707 146.742 1.00 45.27 O ATOM 354 CB PRO A1012 18.818 -52.134 146.966 1.00 39.86 C ATOM 355 CG PRO A1012 18.095 -52.473 145.708 1.00 48.32 C ATOM 356 CD PRO A1012 19.085 -52.245 144.608 1.00 50.93 C ATOM 357 N VAL A1013 21.195 -50.607 148.514 1.00 49.82 N ATOM 358 CA VAL A1013 22.425 -50.693 149.290 1.00 53.82 C ATOM 359 C VAL A1013 22.637 -52.102 149.834 1.00 57.50 C ATOM 360 O VAL A1013 21.792 -52.633 150.553 1.00 58.13 O ATOM 361 CB VAL A1013 22.424 -49.694 150.460 1.00 52.35 C ATOM 362 CG1 VAL A1013 23.621 -49.933 151.361 1.00 58.55 C ATOM 363 CG2 VAL A1013 22.426 -48.272 149.937 1.00 46.31 C ATOM 364 H VAL A1013 20.369 -50.124 148.922 1.00 0.00 H ATOM 365 N ASP A1014 23.769 -52.702 149.478 1.00 55.51 N ATOM 366 CA ASP A1014 24.122 -54.035 149.953 1.00 74.85 C ATOM 367 C ASP A1014 24.416 -54.011 151.452 1.00 81.75 C ATOM 368 O ASP A1014 25.381 -53.380 151.887 1.00 83.14 O ATOM 369 CB ASP A1014 25.327 -54.571 149.177 1.00 68.30 C ATOM 370 CG ASP A1014 25.676 -55.999 149.548 1.00 79.33 C ATOM 371 OD1 ASP A1014 24.777 -56.738 149.999 1.00 77.79 O ATOM 372 OD2 ASP A1014 26.851 -56.385 149.380 1.00 94.77 O ATOM 373 H ASP A1014 24.423 -52.205 148.841 1.00 0.00 H ATOM 374 N PRO A1015 23.582 -54.702 152.248 1.00 71.22 N ATOM 375 CA PRO A1015 23.715 -54.716 153.710 1.00 91.04 C ATOM 376 C PRO A1015 25.015 -55.362 154.187 1.00 99.30 C ATOM 377 O PRO A1015 25.378 -55.217 155.353 1.00 94.77 O ATOM 378 CB PRO A1015 22.503 -55.535 154.165 1.00 67.90 C ATOM 379 CG PRO A1015 22.165 -56.388 152.992 1.00 80.43 C ATOM 380 CD PRO A1015 22.463 -55.543 151.791 1.00 74.75 C ATOM 381 N ASP A1016 25.701 -56.068 153.295 1.00 90.06 N ATOM 382 CA ASP A1016 26.987 -56.665 153.626 1.00 87.53 C ATOM 383 C ASP A1016 28.086 -55.610 153.594 1.00 90.86 C ATOM 384 O ASP A1016 28.763 -55.376 154.596 1.00 93.75 O ATOM 385 CB ASP A1016 27.315 -57.807 152.664 1.00101.13 C ATOM 386 CG ASP A1016 26.274 -58.908 152.693 1.00103.31 C ATOM 387 OD1 ASP A1016 25.592 -59.056 153.731 1.00 84.55 O ATOM 388 OD2 ASP A1016 26.137 -59.627 151.681 1.00 94.05 O ATOM 389 H ASP A1016 25.311 -56.197 152.340 1.00 0.00 H ATOM 390 N GLU A1017 28.253 -54.975 152.438 1.00 84.84 N ATOM 391 CA GLU A1017 29.234 -53.908 152.282 1.00 91.55 C ATOM 392 C GLU A1017 28.912 -52.739 153.209 1.00 95.39 C ATOM 393 O GLU A1017 29.811 -52.085 153.737 1.00 92.26 O ATOM 394 CB GLU A1017 29.284 -53.432 150.828 1.00 74.33 C ATOM 395 H GLU A1017 27.668 -55.247 151.623 1.00 0.00 H ATOM 396 N VAL A1018 27.621 -52.484 153.399 1.00 83.18 N ATOM 397 CA VAL A1018 27.170 -51.394 154.257 1.00 68.36 C ATOM 398 C VAL A1018 26.140 -51.888 155.271 1.00 78.20 C ATOM 399 O VAL A1018 24.941 -51.891 154.991 1.00 81.55 O ATOM 400 CB VAL A1018 26.552 -50.247 153.438 1.00 78.41 C ATOM 401 CG1 VAL A1018 26.448 -49.002 154.286 1.00 67.75 C ATOM 402 CG2 VAL A1018 27.374 -49.966 152.188 1.00 64.39 C ATOM 403 H VAL A1018 26.913 -53.078 152.923 1.00 0.00 H ATOM 404 N PRO A1019 26.606 -52.303 156.457 1.00 85.22 N ATOM 405 CA PRO A1019 25.731 -52.881 157.484 1.00 73.74 C ATOM 406 C PRO A1019 24.891 -51.849 158.233 1.00 63.26 C ATOM 407 O PRO A1019 23.796 -52.172 158.692 1.00 79.98 O ATOM 408 CB PRO A1019 26.720 -53.558 158.434 1.00 76.15 C ATOM 409 CG PRO A1019 27.955 -52.736 158.316 1.00 85.30 C ATOM 410 CD PRO A1019 28.018 -52.290 156.879 1.00 87.95 C ATOM 411 N ASP A1020 25.395 -50.626 158.353 1.00 66.75 N ATOM 412 CA ASP A1020 24.727 -49.613 159.161 1.00 68.86 C ATOM 413 C ASP A1020 23.764 -48.743 158.358 1.00 66.15 C ATOM 414 O ASP A1020 23.174 -47.810 158.900 1.00 61.50 O ATOM 415 CB ASP A1020 25.761 -48.722 159.854 1.00 69.03 C ATOM 416 CG ASP A1020 26.639 -47.976 158.871 1.00 80.96 C ATOM 417 OD1 ASP A1020 27.160 -48.615 157.932 1.00 89.24 O ATOM 418 OD2 ASP A1020 26.801 -46.747 159.032 1.00 71.53 O ATOM 419 H ASP A1020 26.280 -50.387 157.863 1.00 0.00 H ATOM 420 N TYR A1021 23.599 -49.043 157.074 1.00 65.23 N ATOM 421 CA TYR A1021 22.721 -48.236 156.233 1.00 65.88 C ATOM 422 C TYR A1021 21.257 -48.428 156.610 1.00 67.37 C ATOM 423 O TYR A1021 20.563 -47.464 156.937 1.00 50.97 O ATOM 424 CB TYR A1021 22.921 -48.564 154.753 1.00 52.75 C ATOM 425 CG TYR A1021 22.198 -47.602 153.835 1.00 54.91 C ATOM 426 CD1 TYR A1021 22.753 -46.369 153.519 1.00 50.37 C ATOM 427 CD2 TYR A1021 20.957 -47.919 153.298 1.00 64.09 C ATOM 428 CE1 TYR A1021 22.098 -45.481 152.689 1.00 48.75 C ATOM 429 CE2 TYR A1021 20.291 -47.036 152.467 1.00 52.70 C ATOM 430 CZ TYR A1021 20.868 -45.819 152.166 1.00 52.49 C ATOM 431 OH TYR A1021 20.213 -44.936 151.341 1.00 42.92 O ATOM 432 HH TYR A1021 20.762 -44.120 151.231 1.00 0.00 H ATOM 433 H TYR A1021 24.099 -49.858 156.666 1.00 0.00 H ATOM 434 N VAL A1022 20.799 -49.678 156.562 1.00 60.96 N ATOM 435 CA VAL A1022 19.411 -50.027 156.863 1.00 71.43 C ATOM 436 C VAL A1022 18.981 -49.502 158.237 1.00 71.83 C ATOM 437 O VAL A1022 17.821 -49.137 158.440 1.00 84.61 O ATOM 438 CB VAL A1022 19.204 -51.563 156.781 1.00 78.72 C ATOM 439 CG1 VAL A1022 17.924 -51.996 157.482 1.00 82.56 C ATOM 440 CG2 VAL A1022 19.198 -52.019 155.328 1.00 81.79 C ATOM 441 H VAL A1022 21.457 -50.439 156.299 1.00 0.00 H ATOM 442 N THR A1023 19.929 -49.428 159.166 1.00 65.70 N ATOM 443 CA THR A1023 19.646 -48.912 160.501 1.00 75.89 C ATOM 444 C THR A1023 19.533 -47.387 160.522 1.00 65.26 C ATOM 445 O THR A1023 18.687 -46.833 161.223 1.00 78.21 O ATOM 446 CB THR A1023 20.729 -49.340 161.510 1.00 82.24 C ATOM 447 OG1 THR A1023 21.912 -48.556 161.311 1.00 84.10 O ATOM 448 CG2 THR A1023 21.060 -50.817 161.344 1.00 70.59 C ATOM 449 HG1 THR A1023 22.248 -48.695 160.390 1.00 0.00 H ATOM 450 H THR A1023 20.893 -49.745 158.936 1.00 0.00 H ATOM 451 N VAL A1024 20.389 -46.712 159.760 1.00 55.37 N ATOM 452 CA VAL A1024 20.413 -45.250 159.745 1.00 58.79 C ATOM 453 C VAL A1024 19.373 -44.677 158.781 1.00 59.45 C ATOM 454 O VAL A1024 18.693 -43.698 159.096 1.00 53.08 O ATOM 455 CB VAL A1024 21.816 -44.717 159.369 1.00 65.97 C ATOM 456 CG1 VAL A1024 21.781 -43.213 159.131 1.00 45.81 C ATOM 457 CG2 VAL A1024 22.821 -45.062 160.458 1.00 65.84 C ATOM 458 H VAL A1024 21.057 -47.237 159.160 1.00 0.00 H ATOM 459 N ILE A1025 19.247 -45.292 157.609 1.00 41.02 N ATOM 460 CA ILE A1025 18.267 -44.851 156.621 1.00 45.83 C ATOM 461 C ILE A1025 17.011 -45.711 156.704 1.00 44.57 C ATOM 462 O ILE A1025 17.013 -46.874 156.296 1.00 49.39 O ATOM 463 CB ILE A1025 18.839 -44.901 155.192 1.00 46.54 C ATOM 464 CG1 ILE A1025 20.034 -43.953 155.068 1.00 44.47 C ATOM 465 CG2 ILE A1025 17.769 -44.541 154.171 1.00 38.10 C ATOM 466 CD1 ILE A1025 19.709 -42.512 155.397 1.00 37.18 C ATOM 467 H ILE A1025 19.859 -46.104 157.392 1.00 0.00 H ATOM 468 N LYS A1026 15.941 -45.130 157.235 1.00 47.40 N ATOM 469 CA LYS A1026 14.708 -45.869 157.490 1.00 60.11 C ATOM 470 C LYS A1026 13.936 -46.196 156.220 1.00 52.24 C ATOM 471 O LYS A1026 13.207 -47.186 156.167 1.00 48.98 O ATOM 472 CB LYS A1026 13.808 -45.084 158.445 1.00 51.50 C ATOM 473 CG LYS A1026 14.414 -44.877 159.817 1.00 67.29 C ATOM 474 CD LYS A1026 14.898 -46.196 160.392 1.00 69.46 C ATOM 475 CE LYS A1026 15.606 -45.991 161.716 1.00 57.30 C ATOM 476 NZ LYS A1026 16.211 -47.256 162.219 1.00 61.89 N ATOM 477 HZ1 LYS A1026 15.464 -47.967 162.353 1.00 0.00 H ATOM 478 HZ2 LYS A1026 16.904 -47.606 161.527 1.00 0.00 H ATOM 479 HZ3 LYS A1026 16.686 -47.075 163.126 1.00 0.00 H ATOM 480 H LYS A1026 15.983 -44.119 157.476 1.00 0.00 H ATOM 481 N GLN A1027 14.094 -45.365 155.197 1.00 48.84 N ATOM 482 CA GLN A1027 13.325 -45.533 153.973 1.00 41.69 C ATOM 483 C GLN A1027 14.228 -45.579 152.745 1.00 48.35 C ATOM 484 O GLN A1027 14.326 -44.601 152.007 1.00 39.93 O ATOM 485 CB GLN A1027 12.301 -44.403 153.845 1.00 42.15 C ATOM 486 CG GLN A1027 11.007 -44.810 153.177 1.00 50.65 C ATOM 487 CD GLN A1027 9.901 -43.792 153.383 1.00 62.44 C ATOM 488 OE1 GLN A1027 10.075 -42.800 154.091 1.00 42.36 O ATOM 489 NE2 GLN A1027 8.753 -44.037 152.764 1.00 69.20 N ATOM 490 HE22 GLN A1027 8.651 -44.888 152.175 1.00 0.00 H ATOM 491 HE21 GLN A1027 7.955 -43.378 152.868 1.00 0.00 H ATOM 492 H GLN A1027 14.776 -44.584 155.271 1.00 0.00 H ATOM 493 N PRO A1028 14.895 -46.723 152.524 1.00 39.50 N ATOM 494 CA PRO A1028 15.802 -46.879 151.383 1.00 38.90 C ATOM 495 C PRO A1028 15.078 -46.707 150.055 1.00 42.73 C ATOM 496 O PRO A1028 13.916 -47.089 149.937 1.00 36.28 O ATOM 497 CB PRO A1028 16.323 -48.313 151.536 1.00 45.63 C ATOM 498 CG PRO A1028 16.102 -48.652 152.971 1.00 52.38 C ATOM 499 CD PRO A1028 14.845 -47.939 153.353 1.00 47.93 C ATOM 500 N MET A1029 15.756 -46.130 149.071 1.00 33.59 N ATOM 501 CA MET A1029 15.166 -45.948 147.752 1.00 33.89 C ATOM 502 C MET A1029 16.251 -45.882 146.687 1.00 31.84 C ATOM 503 O MET A1029 17.316 -45.307 146.905 1.00 29.76 O ATOM 504 CB MET A1029 14.301 -44.685 147.715 1.00 38.58 C ATOM 505 CG MET A1029 13.484 -44.516 146.437 1.00 33.71 C ATOM 506 SD MET A1029 12.434 -45.935 146.058 1.00 36.41 S ATOM 507 CE MET A1029 11.426 -46.010 147.537 1.00 34.24 C ATOM 508 H MET A1029 16.727 -45.801 149.245 1.00 0.00 H ATOM 509 N ASP A1030 15.975 -46.488 145.539 1.00 30.14 N ATOM 510 CA ASP A1030 16.900 -46.473 144.416 1.00 36.83 C ATOM 511 C ASP A1030 16.126 -46.627 143.115 1.00 31.63 C ATOM 512 O ASP A1030 14.923 -46.883 143.129 1.00 38.73 O ATOM 513 CB ASP A1030 17.944 -47.582 144.558 1.00 32.63 C ATOM 514 CG ASP A1030 17.338 -48.962 144.447 1.00 31.37 C ATOM 515 OD1 ASP A1030 16.829 -49.475 145.466 1.00 46.17 O ATOM 516 OD2 ASP A1030 17.369 -49.531 143.339 1.00 43.95 O ATOM 517 H ASP A1030 15.069 -46.989 145.439 1.00 0.00 H ATOM 518 N LEU A1031 16.821 -46.482 141.993 1.00 32.02 N ATOM 519 CA LEU A1031 16.167 -46.440 140.690 1.00 37.91 C ATOM 520 C LEU A1031 15.579 -47.784 140.266 1.00 31.18 C ATOM 521 O LEU A1031 14.604 -47.824 139.517 1.00 37.14 O ATOM 522 CB LEU A1031 17.148 -45.940 139.631 1.00 36.27 C ATOM 523 CG LEU A1031 17.615 -44.495 139.822 1.00 42.04 C ATOM 524 CD1 LEU A1031 18.582 -44.084 138.718 1.00 30.44 C ATOM 525 CD2 LEU A1031 16.419 -43.553 139.877 1.00 29.92 C ATOM 526 H LEU A1031 17.856 -46.396 142.044 1.00 0.00 H ATOM 527 N SER A1032 16.163 -48.882 140.736 1.00 38.45 N ATOM 528 CA SER A1032 15.609 -50.198 140.431 1.00 34.18 C ATOM 529 C SER A1032 14.298 -50.397 141.184 1.00 32.81 C ATOM 530 O SER A1032 13.346 -50.970 140.654 1.00 34.75 O ATOM 531 CB SER A1032 16.600 -51.308 140.787 1.00 39.77 C ATOM 532 OG SER A1032 16.825 -51.363 142.186 1.00 39.34 O ATOM 533 HG SER A1032 17.194 -50.498 142.494 1.00 0.00 H ATOM 534 H SER A1032 17.018 -48.803 141.323 1.00 0.00 H ATOM 535 N SER A1033 14.257 -49.910 142.421 1.00 29.32 N ATOM 536 CA SER A1033 13.046 -49.972 143.229 1.00 36.04 C ATOM 537 C SER A1033 11.969 -49.052 142.663 1.00 35.27 C ATOM 538 O SER A1033 10.780 -49.362 142.727 1.00 36.34 O ATOM 539 CB SER A1033 13.348 -49.601 144.682 1.00 32.78 C ATOM 540 OG SER A1033 14.195 -50.562 145.284 1.00 49.40 O ATOM 541 HG SER A1033 15.048 -50.608 144.783 1.00 0.00 H ATOM 542 H SER A1033 15.112 -49.474 142.822 1.00 0.00 H ATOM 543 N VAL A1034 12.395 -47.919 142.113 1.00 29.78 N ATOM 544 CA VAL A1034 11.475 -46.990 141.468 1.00 28.26 C ATOM 545 C VAL A1034 10.815 -47.666 140.273 1.00 26.67 C ATOM 546 O VAL A1034 9.604 -47.560 140.077 1.00 32.49 O ATOM 547 CB VAL A1034 12.192 -45.701 141.013 1.00 28.87 C ATOM 548 CG1 VAL A1034 11.348 -44.941 139.995 1.00 23.20 C ATOM 549 CG2 VAL A1034 12.518 -44.821 142.215 1.00 25.75 C ATOM 550 H VAL A1034 13.409 -47.690 142.144 1.00 0.00 H ATOM 551 N ILE A1035 11.621 -48.374 139.486 1.00 28.46 N ATOM 552 CA ILE A1035 11.120 -49.129 138.343 1.00 26.14 C ATOM 553 C ILE A1035 10.100 -50.175 138.783 1.00 28.18 C ATOM 554 O ILE A1035 9.034 -50.307 138.183 1.00 33.65 O ATOM 555 CB ILE A1035 12.265 -49.819 137.580 1.00 35.90 C ATOM 556 CG1 ILE A1035 13.073 -48.780 136.807 1.00 27.65 C ATOM 557 CG2 ILE A1035 11.720 -50.856 136.610 1.00 36.31 C ATOM 558 CD1 ILE A1035 12.229 -47.990 135.852 1.00 42.01 C ATOM 559 H ILE A1035 12.640 -48.390 139.692 1.00 0.00 H ATOM 560 N SER A1036 10.431 -50.907 139.842 1.00 33.64 N ATOM 561 CA SER A1036 9.531 -51.916 140.387 1.00 38.16 C ATOM 562 C SER A1036 8.209 -51.302 140.841 1.00 33.26 C ATOM 563 O SER A1036 7.144 -51.871 140.606 1.00 28.38 O ATOM 564 CB SER A1036 10.194 -52.654 141.553 1.00 31.75 C ATOM 565 OG SER A1036 11.304 -53.412 141.103 1.00 40.56 O ATOM 566 HG SER A1036 11.716 -53.880 141.872 1.00 0.00 H ATOM 567 H SER A1036 11.356 -50.756 140.293 1.00 0.00 H ATOM 568 N LYS A1037 8.276 -50.137 141.481 1.00 25.63 N ATOM 569 CA LYS A1037 7.067 -49.486 141.971 1.00 28.35 C ATOM 570 C LYS A1037 6.194 -48.980 140.823 1.00 35.05 C ATOM 571 O LYS A1037 4.969 -48.984 140.929 1.00 31.87 O ATOM 572 CB LYS A1037 7.417 -48.341 142.926 1.00 27.74 C ATOM 573 CG LYS A1037 7.862 -48.819 144.301 1.00 29.07 C ATOM 574 CD LYS A1037 8.119 -47.664 145.257 1.00 31.40 C ATOM 575 CE LYS A1037 6.833 -46.953 145.637 1.00 28.82 C ATOM 576 NZ LYS A1037 7.075 -45.867 146.625 1.00 31.30 N ATOM 577 HZ1 LYS A1037 7.493 -46.271 147.487 1.00 0.00 H ATOM 578 HZ2 LYS A1037 7.728 -45.168 146.217 1.00 0.00 H ATOM 579 HZ3 LYS A1037 6.173 -45.406 146.859 1.00 0.00 H ATOM 580 H LYS A1037 9.201 -49.686 141.633 1.00 0.00 H ATOM 581 N ILE A1038 6.819 -48.558 139.728 1.00 29.51 N ATOM 582 CA ILE A1038 6.068 -48.144 138.545 1.00 31.31 C ATOM 583 C ILE A1038 5.223 -49.300 138.029 1.00 31.26 C ATOM 584 O ILE A1038 4.024 -49.151 137.791 1.00 26.47 O ATOM 585 CB ILE A1038 6.992 -47.658 137.412 1.00 29.85 C ATOM 586 CG1 ILE A1038 7.683 -46.350 137.799 1.00 28.02 C ATOM 587 CG2 ILE A1038 6.200 -47.470 136.129 1.00 32.52 C ATOM 588 CD1 ILE A1038 8.713 -45.879 136.779 1.00 27.60 C ATOM 589 H ILE A1038 7.858 -48.522 139.713 1.00 0.00 H ATOM 590 N ASP A1039 5.861 -50.457 137.873 1.00 28.23 N ATOM 591 CA ASP A1039 5.200 -51.647 137.348 1.00 33.80 C ATOM 592 C ASP A1039 4.146 -52.200 138.308 1.00 36.06 C ATOM 593 O ASP A1039 3.234 -52.915 137.890 1.00 35.96 O ATOM 594 CB ASP A1039 6.235 -52.728 137.027 1.00 28.88 C ATOM 595 CG ASP A1039 7.155 -52.335 135.885 1.00 47.61 C ATOM 596 OD1 ASP A1039 6.773 -51.450 135.090 1.00 35.71 O ATOM 597 OD2 ASP A1039 8.257 -52.915 135.775 1.00 35.56 O ATOM 598 H ASP A1039 6.866 -50.515 138.134 1.00 0.00 H ATOM 599 N LEU A1040 4.272 -51.869 139.589 1.00 31.59 N ATOM 600 CA LEU A1040 3.285 -52.284 140.584 1.00 29.35 C ATOM 601 C LEU A1040 2.170 -51.252 140.716 1.00 37.49 C ATOM 602 O LEU A1040 1.345 -51.334 141.626 1.00 40.02 O ATOM 603 CB LEU A1040 3.948 -52.512 141.943 1.00 26.45 C ATOM 604 CG LEU A1040 4.857 -53.737 142.060 1.00 34.11 C ATOM 605 CD1 LEU A1040 5.505 -53.789 143.434 1.00 29.60 C ATOM 606 CD2 LEU A1040 4.069 -55.006 141.790 1.00 37.29 C ATOM 607 H LEU A1040 5.091 -51.302 139.890 1.00 0.00 H ATOM 608 N HIS A1041 2.163 -50.283 139.804 1.00 35.59 N ATOM 609 CA HIS A1041 1.146 -49.232 139.763 1.00 30.30 C ATOM 610 C HIS A1041 1.112 -48.413 141.051 1.00 28.17 C ATOM 611 O HIS A1041 0.048 -47.990 141.497 1.00 39.82 O ATOM 612 CB HIS A1041 -0.242 -49.831 139.494 1.00 32.94 C ATOM 613 CG HIS A1041 -0.353 -50.552 138.186 1.00 30.60 C ATOM 614 ND1 HIS A1041 -1.551 -51.022 137.696 1.00 35.81 N ATOM 615 CD2 HIS A1041 0.587 -50.887 137.268 1.00 37.09 C ATOM 616 CE1 HIS A1041 -1.347 -51.614 136.531 1.00 30.99 C ATOM 617 NE2 HIS A1041 -0.059 -51.546 136.250 1.00 39.36 N ATOM 618 H HIS A1041 2.916 -50.272 139.087 1.00 0.00 H ATOM 619 N LYS A1042 2.281 -48.184 141.642 1.00 35.61 N ATOM 620 CA LYS A1042 2.367 -47.444 142.898 1.00 29.14 C ATOM 621 C LYS A1042 2.328 -45.932 142.687 1.00 31.35 C ATOM 622 O LYS A1042 2.033 -45.183 143.616 1.00 36.21 O ATOM 623 CB LYS A1042 3.641 -47.823 143.655 1.00 26.51 C ATOM 624 CG LYS A1042 3.695 -49.274 144.105 1.00 44.25 C ATOM 625 CD LYS A1042 2.622 -49.572 145.138 1.00 39.26 C ATOM 626 CE LYS A1042 2.734 -51.001 145.656 1.00 72.39 C ATOM 627 NZ LYS A1042 1.679 -51.319 146.661 1.00 60.06 N ATOM 628 HZ1 LYS A1042 1.768 -50.673 147.471 1.00 0.00 H ATOM 629 HZ2 LYS A1042 0.741 -51.205 146.226 1.00 0.00 H ATOM 630 HZ3 LYS A1042 1.795 -52.301 146.985 1.00 0.00 H ATOM 631 H LYS A1042 3.153 -48.540 141.200 1.00 0.00 H ATOM 632 N TYR A1043 2.630 -45.485 141.471 1.00 30.92 N ATOM 633 CA TYR A1043 2.620 -44.057 141.168 1.00 25.79 C ATOM 634 C TYR A1043 1.409 -43.683 140.322 1.00 27.32 C ATOM 635 O TYR A1043 1.297 -44.104 139.170 1.00 37.38 O ATOM 636 CB TYR A1043 3.903 -43.643 140.440 1.00 25.84 C ATOM 637 CG TYR A1043 5.186 -44.001 141.159 1.00 25.86 C ATOM 638 CD1 TYR A1043 5.455 -43.514 142.430 1.00 28.93 C ATOM 639 CD2 TYR A1043 6.142 -44.807 140.550 1.00 29.07 C ATOM 640 CE1 TYR A1043 6.635 -43.835 143.085 1.00 31.87 C ATOM 641 CE2 TYR A1043 7.325 -45.132 141.193 1.00 25.33 C ATOM 642 CZ TYR A1043 7.565 -44.643 142.459 1.00 25.67 C ATOM 643 OH TYR A1043 8.738 -44.967 143.100 1.00 28.68 O ATOM 644 HH TYR A1043 8.754 -44.539 143.993 1.00 0.00 H ATOM 645 H TYR A1043 2.877 -46.164 140.723 1.00 0.00 H ATOM 646 N LEU A1044 0.508 -42.886 140.889 1.00 29.76 N ATOM 647 CA LEU A1044 -0.672 -42.433 140.158 1.00 33.28 C ATOM 648 C LEU A1044 -0.505 -40.996 139.682 1.00 32.13 C ATOM 649 O LEU A1044 -1.278 -40.511 138.857 1.00 36.26 O ATOM 650 CB LEU A1044 -1.928 -42.555 141.024 1.00 37.88 C ATOM 651 CG LEU A1044 -2.305 -43.955 141.513 1.00 45.33 C ATOM 652 CD1 LEU A1044 -3.707 -43.947 142.107 1.00 38.62 C ATOM 653 CD2 LEU A1044 -2.197 -44.978 140.392 1.00 39.37 C ATOM 654 H LEU A1044 0.647 -42.579 141.873 1.00 0.00 H ATOM 655 N THR A1045 0.505 -40.315 140.212 1.00 30.55 N ATOM 656 CA THR A1045 0.841 -38.961 139.782 1.00 25.96 C ATOM 657 C THR A1045 2.351 -38.822 139.645 1.00 36.27 C ATOM 658 O THR A1045 3.100 -39.685 140.100 1.00 25.96 O ATOM 659 CB THR A1045 0.339 -37.891 140.772 1.00 29.96 C ATOM 660 OG1 THR A1045 1.058 -38.007 142.006 1.00 37.52 O ATOM 661 CG2 THR A1045 -1.151 -38.044 141.034 1.00 25.26 C ATOM 662 HG1 THR A1045 0.735 -37.319 142.641 1.00 0.00 H ATOM 663 H THR A1045 1.075 -40.761 140.958 1.00 0.00 H ATOM 664 N VAL A1046 2.803 -37.735 139.028 1.00 25.45 N ATOM 665 CA VAL A1046 4.236 -37.480 138.936 1.00 31.05 C ATOM 666 C VAL A1046 4.756 -37.004 140.289 1.00 30.65 C ATOM 667 O VAL A1046 5.945 -37.127 140.583 1.00 32.37 O ATOM 668 CB VAL A1046 4.579 -36.439 137.846 1.00 34.95 C ATOM 669 CG1 VAL A1046 4.433 -35.029 138.387 1.00 60.13 C ATOM 670 CG2 VAL A1046 5.995 -36.651 137.346 1.00 37.58 C ATOM 671 H VAL A1046 2.130 -37.062 138.608 1.00 0.00 H ATOM 672 N LYS A1047 3.856 -36.474 141.114 1.00 37.35 N ATOM 673 CA LYS A1047 4.221 -36.017 142.449 1.00 36.59 C ATOM 674 C LYS A1047 4.640 -37.192 143.317 1.00 31.39 C ATOM 675 O LYS A1047 5.609 -37.099 144.068 1.00 40.44 O ATOM 676 CB LYS A1047 3.065 -35.262 143.106 1.00 40.95 C ATOM 677 CG LYS A1047 2.857 -33.854 142.578 1.00 42.27 C ATOM 678 CD LYS A1047 1.820 -33.102 143.401 1.00 49.00 C ATOM 679 H LYS A1047 2.869 -36.384 140.799 1.00 0.00 H ATOM 680 N ASP A1048 3.901 -38.293 143.213 1.00 25.17 N ATOM 681 CA ASP A1048 4.256 -39.518 143.922 1.00 40.19 C ATOM 682 C ASP A1048 5.644 -39.987 143.499 1.00 38.29 C ATOM 683 O ASP A1048 6.474 -40.343 144.333 1.00 36.31 O ATOM 684 CB ASP A1048 3.229 -40.623 143.657 1.00 38.49 C ATOM 685 CG ASP A1048 1.852 -40.292 144.204 1.00 60.62 C ATOM 686 OD1 ASP A1048 1.734 -39.330 144.995 1.00 46.67 O ATOM 687 OD2 ASP A1048 0.889 -41.007 143.849 1.00 57.62 O ATOM 688 H ASP A1048 3.051 -38.281 142.613 1.00 0.00 H ATOM 689 N TYR A1049 5.876 -39.981 142.191 1.00 34.88 N ATOM 690 CA TYR A1049 7.153 -40.380 141.610 1.00 29.51 C ATOM 691 C TYR A1049 8.296 -39.515 142.130 1.00 31.51 C ATOM 692 O TYR A1049 9.312 -40.029 142.601 1.00 29.20 O ATOM 693 CB TYR A1049 7.070 -40.300 140.081 1.00 26.64 C ATOM 694 CG TYR A1049 8.374 -40.525 139.349 1.00 26.56 C ATOM 695 CD1 TYR A1049 8.819 -41.808 139.058 1.00 22.58 C ATOM 696 CD2 TYR A1049 9.146 -39.452 138.922 1.00 24.83 C ATOM 697 CE1 TYR A1049 10.007 -42.017 138.378 1.00 30.93 C ATOM 698 CE2 TYR A1049 10.336 -39.651 138.242 1.00 27.86 C ATOM 699 CZ TYR A1049 10.762 -40.934 137.974 1.00 31.15 C ATOM 700 OH TYR A1049 11.943 -41.134 137.297 1.00 27.68 O ATOM 701 HH TYR A1049 12.100 -42.106 137.189 1.00 0.00 H ATOM 702 H TYR A1049 5.113 -39.678 141.553 1.00 0.00 H ATOM 703 N LEU A1050 8.116 -38.200 142.055 1.00 27.08 N ATOM 704 CA LEU A1050 9.151 -37.256 142.465 1.00 29.90 C ATOM 705 C LEU A1050 9.453 -37.340 143.955 1.00 39.18 C ATOM 706 O LEU A1050 10.545 -36.984 144.391 1.00 35.29 O ATOM 707 CB LEU A1050 8.742 -35.833 142.096 1.00 25.19 C ATOM 708 CG LEU A1050 8.971 -35.486 140.627 1.00 27.92 C ATOM 709 CD1 LEU A1050 8.441 -34.097 140.311 1.00 31.76 C ATOM 710 CD2 LEU A1050 10.457 -35.590 140.311 1.00 31.05 C ATOM 711 H LEU A1050 7.212 -37.833 141.694 1.00 0.00 H ATOM 712 N ARG A1051 8.482 -37.809 144.731 1.00 33.29 N ATOM 713 CA ARG A1051 8.682 -37.997 146.160 1.00 38.45 C ATOM 714 C ARG A1051 9.755 -39.054 146.406 1.00 27.81 C ATOM 715 O ARG A1051 10.575 -38.915 147.311 1.00 28.70 O ATOM 716 CB ARG A1051 7.370 -38.392 146.843 1.00 36.81 C ATOM 717 CG ARG A1051 7.416 -38.319 148.361 1.00 66.26 C ATOM 718 CD ARG A1051 6.069 -38.666 148.988 1.00 73.62 C ATOM 719 NE ARG A1051 4.983 -37.847 148.456 1.00 68.61 N ATOM 720 CZ ARG A1051 4.035 -38.300 147.643 1.00 88.54 C ATOM 721 NH1 ARG A1051 4.031 -39.575 147.272 1.00 61.21 N ATOM 722 NH2 ARG A1051 3.087 -37.481 147.205 1.00 77.62 N ATOM 723 HE ARG A1051 4.950 -36.845 148.731 1.00 0.00 H ATOM 724 HH12 ARG A1051 3.289 -39.929 146.636 1.00 0.00 H ATOM 725 HH11 ARG A1051 4.770 -40.220 147.618 1.00 0.00 H ATOM 726 HH22 ARG A1051 2.345 -37.837 146.569 1.00 0.00 H ATOM 727 HH21 ARG A1051 3.086 -36.483 147.498 1.00 0.00 H ATOM 728 H ARG A1051 7.561 -38.046 144.309 1.00 0.00 H ATOM 729 N ASP A1052 9.752 -40.104 145.589 1.00 28.22 N ATOM 730 CA ASP A1052 10.754 -41.160 145.704 1.00 28.32 C ATOM 731 C ASP A1052 12.107 -40.725 145.145 1.00 41.08 C ATOM 732 O ASP A1052 13.153 -41.151 145.636 1.00 33.59 O ATOM 733 CB ASP A1052 10.283 -42.434 145.001 1.00 29.09 C ATOM 734 CG ASP A1052 9.392 -43.288 145.885 1.00 35.75 C ATOM 735 OD1 ASP A1052 9.360 -43.037 147.106 1.00 33.27 O ATOM 736 OD2 ASP A1052 8.734 -44.212 145.363 1.00 33.12 O ATOM 737 H ASP A1052 9.021 -40.174 144.853 1.00 0.00 H ATOM 738 N ILE A1053 12.084 -39.884 144.115 1.00 27.21 N ATOM 739 CA ILE A1053 13.314 -39.322 143.568 1.00 25.66 C ATOM 740 C ILE A1053 13.975 -38.430 144.613 1.00 32.80 C ATOM 741 O ILE A1053 15.174 -38.541 144.868 1.00 33.05 O ATOM 742 CB ILE A1053 13.058 -38.515 142.279 1.00 32.76 C ATOM 743 CG1 ILE A1053 12.539 -39.432 141.166 1.00 26.10 C ATOM 744 CG2 ILE A1053 14.326 -37.806 141.829 1.00 26.88 C ATOM 745 CD1 ILE A1053 13.499 -40.539 140.777 1.00 28.86 C ATOM 746 H ILE A1053 11.171 -39.622 143.691 1.00 0.00 H ATOM 747 N ASP A1054 13.179 -37.556 145.225 1.00 26.23 N ATOM 748 CA ASP A1054 13.659 -36.691 146.297 1.00 32.79 C ATOM 749 C ASP A1054 14.186 -37.508 147.469 1.00 36.68 C ATOM 750 O ASP A1054 15.124 -37.100 148.152 1.00 38.02 O ATOM 751 CB ASP A1054 12.547 -35.756 146.778 1.00 32.99 C ATOM 752 CG ASP A1054 12.351 -34.564 145.865 1.00 42.14 C ATOM 753 OD1 ASP A1054 13.360 -34.039 145.348 1.00 41.51 O ATOM 754 OD2 ASP A1054 11.191 -34.149 145.666 1.00 37.77 O ATOM 755 H ASP A1054 12.184 -37.488 144.930 1.00 0.00 H ATOM 756 N LEU A1055 13.570 -38.664 147.693 1.00 28.66 N ATOM 757 CA LEU A1055 13.970 -39.558 148.769 1.00 30.66 C ATOM 758 C LEU A1055 15.358 -40.139 148.510 1.00 45.28 C ATOM 759 O LEU A1055 16.163 -40.270 149.431 1.00 36.70 O ATOM 760 CB LEU A1055 12.941 -40.677 148.935 1.00 32.25 C ATOM 761 CG LEU A1055 13.109 -41.631 150.116 1.00 46.89 C ATOM 762 CD1 LEU A1055 13.233 -40.861 151.423 1.00 36.26 C ATOM 763 CD2 LEU A1055 11.938 -42.601 150.167 1.00 37.10 C ATOM 764 H LEU A1055 12.776 -38.939 147.079 1.00 0.00 H ATOM 765 N ILE A1056 15.637 -40.482 147.256 1.00 36.20 N ATOM 766 CA ILE A1056 16.962 -40.964 146.877 1.00 31.79 C ATOM 767 C ILE A1056 18.014 -39.904 147.187 1.00 31.94 C ATOM 768 O ILE A1056 19.089 -40.209 147.706 1.00 35.89 O ATOM 769 CB ILE A1056 17.032 -41.333 145.381 1.00 32.84 C ATOM 770 CG1 ILE A1056 16.131 -42.533 145.081 1.00 26.13 C ATOM 771 CG2 ILE A1056 18.459 -41.652 144.974 1.00 32.34 C ATOM 772 CD1 ILE A1056 16.095 -42.928 143.616 1.00 24.36 C ATOM 773 H ILE A1056 14.896 -40.405 146.530 1.00 0.00 H ATOM 774 N CYS A1057 17.687 -38.653 146.885 1.00 26.52 N ATOM 775 CA CYS A1057 18.610 -37.549 147.107 1.00 35.94 C ATOM 776 C CYS A1057 18.803 -37.219 148.588 1.00 42.96 C ATOM 777 O CYS A1057 19.931 -37.053 149.048 1.00 35.18 O ATOM 778 CB CYS A1057 18.129 -36.303 146.366 1.00 27.10 C ATOM 779 SG CYS A1057 19.229 -34.888 146.543 1.00 39.18 S ATOM 780 H CYS A1057 16.749 -38.457 146.480 1.00 0.00 H ATOM 781 N SER A1058 17.704 -37.117 149.328 1.00 32.84 N ATOM 782 CA SER A1058 17.772 -36.742 150.737 1.00 32.19 C ATOM 783 C SER A1058 18.468 -37.819 151.565 1.00 30.03 C ATOM 784 O SER A1058 19.161 -37.515 152.536 1.00 33.71 O ATOM 785 CB SER A1058 16.369 -36.471 151.291 1.00 38.99 C ATOM 786 OG SER A1058 15.553 -37.628 151.208 1.00 43.58 O ATOM 787 HG SER A1058 15.965 -38.359 151.733 1.00 0.00 H ATOM 788 H SER A1058 16.778 -37.308 148.895 1.00 0.00 H ATOM 789 N ASN A1059 18.279 -39.075 151.177 1.00 27.29 N ATOM 790 CA ASN A1059 18.960 -40.185 151.830 1.00 30.94 C ATOM 791 C ASN A1059 20.471 -40.095 151.656 1.00 47.04 C ATOM 792 O ASN A1059 21.232 -40.393 152.575 1.00 38.79 O ATOM 793 CB ASN A1059 18.454 -41.522 151.283 1.00 34.09 C ATOM 794 CG ASN A1059 17.095 -41.906 151.842 1.00 43.44 C ATOM 795 OD1 ASN A1059 16.529 -41.195 152.672 1.00 38.19 O ATOM 796 ND2 ASN A1059 16.564 -43.033 151.384 1.00 25.37 N ATOM 797 HD22 ASN A1059 17.078 -43.603 150.682 1.00 0.00 H ATOM 798 HD21 ASN A1059 15.633 -43.346 151.727 1.00 0.00 H ATOM 799 H ASN A1059 17.630 -39.271 150.389 1.00 0.00 H ATOM 800 N ALA A1060 20.900 -39.681 150.468 1.00 38.72 N ATOM 801 CA ALA A1060 22.323 -39.586 150.168 1.00 30.29 C ATOM 802 C ALA A1060 22.968 -38.440 150.942 1.00 27.13 C ATOM 803 O ALA A1060 24.083 -38.574 151.441 1.00 38.39 O ATOM 804 CB ALA A1060 22.539 -39.410 148.676 1.00 34.59 C ATOM 805 H ALA A1060 20.207 -39.420 149.738 1.00 0.00 H ATOM 806 N LEU A1061 22.258 -37.320 151.044 1.00 26.81 N ATOM 807 CA LEU A1061 22.750 -36.165 151.789 1.00 38.40 C ATOM 808 C LEU A1061 22.868 -36.473 153.279 1.00 43.11 C ATOM 809 O LEU A1061 23.802 -36.024 153.946 1.00 35.48 O ATOM 810 CB LEU A1061 21.833 -34.956 151.585 1.00 34.48 C ATOM 811 CG LEU A1061 21.561 -34.490 150.153 1.00 43.30 C ATOM 812 CD1 LEU A1061 20.869 -33.137 150.159 1.00 44.57 C ATOM 813 CD2 LEU A1061 22.840 -34.439 149.336 1.00 33.39 C ATOM 814 H LEU A1061 21.328 -37.266 150.581 1.00 0.00 H ATOM 815 N GLU A1062 21.911 -37.239 153.793 1.00 44.58 N ATOM 816 CA GLU A1062 21.866 -37.570 155.211 1.00 46.58 C ATOM 817 C GLU A1062 22.935 -38.586 155.588 1.00 34.56 C ATOM 818 O GLU A1062 23.605 -38.441 156.611 1.00 41.66 O ATOM 819 CB GLU A1062 20.482 -38.105 155.591 1.00 35.90 C ATOM 820 CG GLU A1062 20.389 -38.641 157.011 1.00 51.18 C ATOM 821 CD GLU A1062 19.028 -39.240 157.319 1.00 91.10 C ATOM 822 OE1 GLU A1062 18.886 -39.891 158.377 1.00 66.12 O ATOM 823 OE2 GLU A1062 18.100 -39.060 156.501 1.00 79.20 O ATOM 824 H GLU A1062 21.172 -37.613 153.164 1.00 0.00 H ATOM 825 N TYR A1063 23.099 -39.610 154.757 1.00 34.52 N ATOM 826 CA TYR A1063 24.028 -40.688 155.069 1.00 38.65 C ATOM 827 C TYR A1063 25.487 -40.326 154.782 1.00 42.85 C ATOM 828 O TYR A1063 26.396 -40.881 155.395 1.00 40.90 O ATOM 829 CB TYR A1063 23.654 -41.956 154.300 1.00 37.11 C ATOM 830 CG TYR A1063 24.485 -43.145 154.712 1.00 50.74 C ATOM 831 CD1 TYR A1063 24.229 -43.812 155.902 1.00 51.19 C ATOM 832 CD2 TYR A1063 25.540 -43.590 153.925 1.00 50.35 C ATOM 833 CE1 TYR A1063 24.992 -44.894 156.292 1.00 51.81 C ATOM 834 CE2 TYR A1063 26.309 -44.673 154.308 1.00 50.47 C ATOM 835 CZ TYR A1063 26.028 -45.320 155.492 1.00 56.89 C ATOM 836 OH TYR A1063 26.785 -46.394 155.886 1.00 68.86 O ATOM 837 HH TYR A1063 26.447 -46.734 156.752 1.00 0.00 H ATOM 838 H TYR A1063 22.556 -39.642 153.871 1.00 0.00 H ATOM 839 N ASN A1064 25.712 -39.401 153.853 1.00 36.88 N ATOM 840 CA ASN A1064 27.072 -38.984 153.510 1.00 41.03 C ATOM 841 C ASN A1064 27.280 -37.486 153.702 1.00 28.59 C ATOM 842 O ASN A1064 27.420 -36.755 152.726 1.00 43.70 O ATOM 843 CB ASN A1064 27.403 -39.356 152.061 1.00 36.40 C ATOM 844 CG ASN A1064 26.926 -40.747 151.684 1.00 38.48 C ATOM 845 OD1 ASN A1064 27.647 -41.731 151.848 1.00 36.44 O ATOM 846 ND2 ASN A1064 25.710 -40.832 151.155 1.00 41.13 N ATOM 847 HD22 ASN A1064 25.134 -39.974 151.034 1.00 0.00 H ATOM 848 HD21 ASN A1064 25.334 -41.756 150.862 1.00 0.00 H ATOM 849 H ASN A1064 24.906 -38.966 153.361 1.00 0.00 H ATOM 850 N PRO A1065 27.316 -37.022 154.963 1.00 40.05 N ATOM 851 CA PRO A1065 27.310 -35.580 155.226 1.00 30.49 C ATOM 852 C PRO A1065 28.689 -34.943 155.431 1.00 30.42 C ATOM 853 O PRO A1065 28.757 -33.729 155.618 1.00 41.06 O ATOM 854 CB PRO A1065 26.499 -35.489 156.516 1.00 37.13 C ATOM 855 CG PRO A1065 26.900 -36.736 157.258 1.00 34.81 C ATOM 856 CD PRO A1065 27.201 -37.797 156.212 1.00 37.11 C ATOM 857 N ASP A1066 29.759 -35.730 155.395 1.00 38.34 N ATOM 858 CA ASP A1066 31.083 -35.216 155.752 1.00 49.36 C ATOM 859 C ASP A1066 31.714 -34.375 154.645 1.00 56.21 C ATOM 860 O ASP A1066 31.215 -34.336 153.520 1.00 42.59 O ATOM 861 CB ASP A1066 32.015 -36.368 156.123 1.00 39.80 C ATOM 862 CG ASP A1066 31.517 -37.153 157.321 1.00 67.24 C ATOM 863 OD1 ASP A1066 30.663 -36.622 158.062 1.00 46.07 O ATOM 864 OD2 ASP A1066 31.979 -38.296 157.523 1.00 67.61 O ATOM 865 H ASP A1066 29.655 -36.725 155.109 1.00 0.00 H ATOM 866 N ARG A1067 32.817 -33.704 154.972 1.00 41.50 N ATOM 867 CA ARG A1067 33.473 -32.806 154.025 1.00 41.90 C ATOM 868 C ARG A1067 34.452 -33.538 153.113 1.00 35.97 C ATOM 869 O ARG A1067 34.985 -32.946 152.176 1.00 37.86 O ATOM 870 CB ARG A1067 34.196 -31.666 154.766 1.00 38.06 C ATOM 871 CG ARG A1067 35.371 -32.079 155.668 1.00 41.05 C ATOM 872 CD ARG A1067 36.710 -32.125 154.918 1.00 37.85 C ATOM 873 NE ARG A1067 36.926 -30.953 154.070 1.00 38.75 N ATOM 874 CZ ARG A1067 37.721 -30.940 153.001 1.00 58.34 C ATOM 875 NH1 ARG A1067 38.371 -32.040 152.645 1.00 29.06 N ATOM 876 NH2 ARG A1067 37.861 -29.832 152.280 1.00 34.50 N ATOM 877 HE ARG A1067 36.428 -30.074 154.317 1.00 0.00 H ATOM 878 HH12 ARG A1067 38.992 -32.030 151.811 1.00 0.00 H ATOM 879 HH11 ARG A1067 38.260 -32.912 153.200 1.00 0.00 H ATOM 880 HH22 ARG A1067 38.483 -29.829 151.447 1.00 0.00 H ATOM 881 HH21 ARG A1067 37.348 -28.968 152.549 1.00 0.00 H ATOM 882 H ARG A1067 33.220 -33.822 155.923 1.00 0.00 H ATOM 883 N ASP A1068 34.697 -34.815 153.391 1.00 32.77 N ATOM 884 CA ASP A1068 35.645 -35.597 152.598 1.00 37.78 C ATOM 885 C ASP A1068 35.168 -35.718 151.146 1.00 45.09 C ATOM 886 O ASP A1068 33.966 -35.653 150.881 1.00 37.32 O ATOM 887 CB ASP A1068 35.851 -36.983 153.220 1.00 41.41 C ATOM 888 CG ASP A1068 34.624 -37.862 153.114 1.00 49.10 C ATOM 889 OD1 ASP A1068 34.476 -38.556 152.087 1.00 74.74 O ATOM 890 OD2 ASP A1068 33.812 -37.868 154.062 1.00 72.83 O ATOM 891 H ASP A1068 34.205 -35.267 154.188 1.00 0.00 H ATOM 892 N PRO A1069 36.112 -35.876 150.201 1.00 32.10 N ATOM 893 CA PRO A1069 35.779 -35.932 148.771 1.00 34.80 C ATOM 894 C PRO A1069 34.787 -37.036 148.417 1.00 27.29 C ATOM 895 O PRO A1069 33.961 -36.846 147.525 1.00 26.00 O ATOM 896 CB PRO A1069 37.135 -36.198 148.106 1.00 30.41 C ATOM 897 CG PRO A1069 38.133 -35.658 149.062 1.00 38.56 C ATOM 898 CD PRO A1069 37.570 -35.927 150.423 1.00 39.14 C ATOM 899 N GLY A1070 34.874 -38.172 149.101 1.00 28.01 N ATOM 900 CA GLY A1070 33.970 -39.278 148.847 1.00 33.48 C ATOM 901 C GLY A1070 32.524 -38.893 149.098 1.00 40.12 C ATOM 902 O GLY A1070 31.647 -39.159 148.276 1.00 35.68 O ATOM 903 H GLY A1070 35.605 -38.270 149.834 1.00 0.00 H ATOM 904 N ASP A1071 32.281 -38.254 150.238 1.00 31.58 N ATOM 905 CA ASP A1071 30.941 -37.814 150.601 1.00 40.04 C ATOM 906 C ASP A1071 30.458 -36.661 149.728 1.00 45.52 C ATOM 907 O ASP A1071 29.298 -36.628 149.325 1.00 40.13 O ATOM 908 CB ASP A1071 30.894 -37.400 152.073 1.00 40.69 C ATOM 909 CG ASP A1071 30.774 -38.586 153.009 1.00 50.25 C ATOM 910 OD1 ASP A1071 31.118 -39.715 152.593 1.00 39.04 O ATOM 911 OD2 ASP A1071 30.332 -38.389 154.161 1.00 41.93 O ATOM 912 H ASP A1071 33.070 -38.063 150.889 1.00 0.00 H ATOM 913 N ARG A1072 31.342 -35.713 149.436 1.00 27.93 N ATOM 914 CA ARG A1072 30.943 -34.545 148.659 1.00 31.60 C ATOM 915 C ARG A1072 30.611 -34.916 147.217 1.00 32.34 C ATOM 916 O ARG A1072 29.761 -34.286 146.589 1.00 36.52 O ATOM 917 CB ARG A1072 32.035 -33.475 148.701 1.00 32.92 C ATOM 918 CG ARG A1072 32.082 -32.726 150.025 1.00 46.37 C ATOM 919 CD ARG A1072 33.006 -31.522 149.975 1.00 38.55 C ATOM 920 NE ARG A1072 32.854 -30.685 151.163 1.00 68.33 N ATOM 921 CZ ARG A1072 33.639 -29.654 151.463 1.00 86.89 C ATOM 922 NH1 ARG A1072 34.646 -29.329 150.663 1.00 84.95 N ATOM 923 NH2 ARG A1072 33.420 -28.952 152.567 1.00 70.21 N ATOM 924 HE ARG A1072 32.079 -30.911 151.819 1.00 0.00 H ATOM 925 HH12 ARG A1072 35.259 -28.522 150.899 1.00 0.00 H ATOM 926 HH11 ARG A1072 34.823 -29.881 149.799 1.00 0.00 H ATOM 927 HH22 ARG A1072 34.034 -28.146 152.801 1.00 0.00 H ATOM 928 HH21 ARG A1072 32.634 -29.208 153.198 1.00 0.00 H ATOM 929 H ARG A1072 32.325 -35.804 149.764 1.00 0.00 H ATOM 930 N LEU A1073 31.272 -35.948 146.704 1.00 30.51 N ATOM 931 CA LEU A1073 31.028 -36.407 145.343 1.00 34.31 C ATOM 932 C LEU A1073 29.632 -37.011 145.199 1.00 42.09 C ATOM 933 O LEU A1073 28.893 -36.671 144.273 1.00 36.20 O ATOM 934 CB LEU A1073 32.088 -37.428 144.922 1.00 20.86 C ATOM 935 CG LEU A1073 31.898 -38.092 143.555 1.00 31.27 C ATOM 936 CD1 LEU A1073 31.784 -37.050 142.452 1.00 25.97 C ATOM 937 CD2 LEU A1073 33.035 -39.061 143.263 1.00 32.75 C ATOM 938 H LEU A1073 31.979 -36.439 147.287 1.00 0.00 H ATOM 939 N ILE A1074 29.270 -37.900 146.118 1.00 30.44 N ATOM 940 CA ILE A1074 27.980 -38.570 146.032 1.00 36.45 C ATOM 941 C ILE A1074 26.833 -37.596 146.314 1.00 32.01 C ATOM 942 O ILE A1074 25.752 -37.729 145.743 1.00 35.95 O ATOM 943 CB ILE A1074 27.905 -39.788 146.990 1.00 39.35 C ATOM 944 CG1 ILE A1074 26.629 -40.592 146.734 1.00 34.29 C ATOM 945 CG2 ILE A1074 27.993 -39.357 148.445 1.00 41.59 C ATOM 946 CD1 ILE A1074 26.585 -41.910 147.469 1.00 46.21 C ATOM 947 H ILE A1074 29.913 -38.119 146.905 1.00 0.00 H ATOM 948 N ARG A1075 27.070 -36.604 147.169 1.00 23.74 N ATOM 949 CA ARG A1075 26.055 -35.589 147.430 1.00 29.42 C ATOM 950 C ARG A1075 25.819 -34.754 146.179 1.00 36.93 C ATOM 951 O ARG A1075 24.684 -34.402 145.856 1.00 34.59 O ATOM 952 CB ARG A1075 26.458 -34.686 148.599 1.00 36.42 C ATOM 953 CG ARG A1075 26.427 -35.371 149.956 1.00 31.29 C ATOM 954 CD ARG A1075 26.138 -34.376 151.072 1.00 36.93 C ATOM 955 NE ARG A1075 27.067 -33.249 151.085 1.00 36.61 N ATOM 956 CZ ARG A1075 28.248 -33.261 151.694 1.00 43.54 C ATOM 957 NH1 ARG A1075 28.654 -34.347 152.336 1.00 34.58 N ATOM 958 NH2 ARG A1075 29.026 -32.187 151.657 1.00 36.99 N ATOM 959 HE ARG A1075 26.786 -32.381 150.585 1.00 0.00 H ATOM 960 HH12 ARG A1075 29.579 -34.354 152.812 1.00 0.00 H ATOM 961 HH11 ARG A1075 28.048 -35.192 152.364 1.00 0.00 H ATOM 962 HH22 ARG A1075 29.950 -32.198 152.134 1.00 0.00 H ATOM 963 HH21 ARG A1075 28.712 -31.334 151.151 1.00 0.00 H ATOM 964 H ARG A1075 27.988 -36.552 147.656 1.00 0.00 H ATOM 965 N HIS A1076 26.903 -34.440 145.477 1.00 34.72 N ATOM 966 CA HIS A1076 26.822 -33.679 144.239 1.00 33.33 C ATOM 967 C HIS A1076 26.069 -34.478 143.176 1.00 26.34 C ATOM 968 O HIS A1076 25.256 -33.931 142.430 1.00 34.97 O ATOM 969 CB HIS A1076 28.223 -33.312 143.745 1.00 27.68 C ATOM 970 CG HIS A1076 28.226 -32.385 142.570 1.00 27.05 C ATOM 971 ND1 HIS A1076 28.332 -32.831 141.270 1.00 27.79 N ATOM 972 CD2 HIS A1076 28.139 -31.035 142.499 1.00 32.46 C ATOM 973 CE1 HIS A1076 28.308 -31.796 140.449 1.00 34.63 C ATOM 974 NE2 HIS A1076 28.191 -30.695 141.170 1.00 30.40 N ATOM 975 H HIS A1076 27.835 -34.747 145.822 1.00 0.00 H ATOM 976 N ARG A1077 26.342 -35.776 143.124 1.00 25.89 N ATOM 977 CA ARG A1077 25.663 -36.666 142.192 1.00 27.06 C ATOM 978 C ARG A1077 24.197 -36.850 142.571 1.00 37.34 C ATOM 979 O ARG A1077 23.334 -36.961 141.702 1.00 31.76 O ATOM 980 CB ARG A1077 26.369 -38.020 142.140 1.00 28.56 C ATOM 981 CG ARG A1077 27.707 -37.977 141.422 1.00 32.46 C ATOM 982 CD ARG A1077 28.486 -39.264 141.624 1.00 24.92 C ATOM 983 NE ARG A1077 29.627 -39.344 140.716 1.00 34.56 N ATOM 984 CZ ARG A1077 30.528 -40.319 140.736 1.00 36.04 C ATOM 985 NH1 ARG A1077 30.428 -41.297 141.625 1.00 24.82 N ATOM 986 NH2 ARG A1077 31.532 -40.313 139.869 1.00 34.96 N ATOM 987 HE ARG A1077 29.741 -38.590 140.009 1.00 0.00 H ATOM 988 HH12 ARG A1077 31.134 -42.060 141.640 1.00 0.00 H ATOM 989 HH11 ARG A1077 29.643 -41.301 142.308 1.00 0.00 H ATOM 990 HH22 ARG A1077 32.237 -41.077 139.885 1.00 0.00 H ATOM 991 HH21 ARG A1077 31.614 -39.544 139.173 1.00 0.00 H ATOM 992 H ARG A1077 27.060 -36.168 143.766 1.00 0.00 H ATOM 993 N ALA A1078 23.925 -36.882 143.871 1.00 29.15 N ATOM 994 CA ALA A1078 22.559 -37.005 144.365 1.00 38.49 C ATOM 995 C ALA A1078 21.727 -35.804 143.946 1.00 34.00 C ATOM 996 O ALA A1078 20.602 -35.952 143.466 1.00 35.95 O ATOM 997 CB ALA A1078 22.549 -37.151 145.875 1.00 29.01 C ATOM 998 H ALA A1078 24.707 -36.818 144.554 1.00 0.00 H ATOM 999 N CYS A1079 22.292 -34.616 144.127 1.00 30.81 N ATOM 1000 CA CYS A1079 21.615 -33.380 143.767 1.00 30.79 C ATOM 1001 C CYS A1079 21.419 -33.279 142.263 1.00 36.70 C ATOM 1002 O CYS A1079 20.422 -32.728 141.795 1.00 31.74 O ATOM 1003 CB CYS A1079 22.401 -32.169 144.272 1.00 37.77 C ATOM 1004 SG CYS A1079 22.370 -31.962 146.066 1.00 46.56 S ATOM 1005 H CYS A1079 23.246 -34.568 144.538 1.00 0.00 H ATOM 1006 N ALA A1080 22.374 -33.813 141.510 1.00 28.25 N ATOM 1007 CA ALA A1080 22.293 -33.799 140.055 1.00 32.26 C ATOM 1008 C ALA A1080 21.182 -34.724 139.576 1.00 28.60 C ATOM 1009 O ALA A1080 20.477 -34.414 138.616 1.00 32.35 O ATOM 1010 CB ALA A1080 23.627 -34.199 139.442 1.00 22.62 C ATOM 1011 H ALA A1080 23.198 -34.251 141.969 1.00 0.00 H ATOM 1012 N LEU A1081 21.031 -35.860 140.251 1.00 27.79 N ATOM 1013 CA LEU A1081 19.957 -36.800 139.948 1.00 34.41 C ATOM 1014 C LEU A1081 18.602 -36.135 140.137 1.00 38.31 C ATOM 1015 O LEU A1081 17.738 -36.196 139.263 1.00 29.17 O ATOM 1016 CB LEU A1081 20.059 -38.043 140.832 1.00 28.83 C ATOM 1017 CG LEU A1081 18.940 -39.078 140.681 1.00 34.81 C ATOM 1018 CD1 LEU A1081 19.017 -39.759 139.329 1.00 41.40 C ATOM 1019 CD2 LEU A1081 19.012 -40.105 141.792 1.00 38.05 C ATOM 1020 H LEU A1081 21.698 -36.085 141.017 1.00 0.00 H ATOM 1021 N ARG A1082 18.435 -35.498 141.290 1.00 35.54 N ATOM 1022 CA ARG A1082 17.213 -34.780 141.622 1.00 34.05 C ATOM 1023 C ARG A1082 16.928 -33.669 140.615 1.00 39.57 C ATOM 1024 O ARG A1082 15.821 -33.573 140.084 1.00 31.77 O ATOM 1025 CB ARG A1082 17.315 -34.202 143.034 1.00 31.51 C ATOM 1026 CG ARG A1082 16.133 -33.355 143.466 1.00 33.54 C ATOM 1027 CD ARG A1082 16.532 -32.444 144.618 1.00 59.25 C ATOM 1028 NE ARG A1082 17.568 -31.493 144.217 1.00 46.73 N ATOM 1029 CZ ARG A1082 18.378 -30.863 145.063 1.00 55.73 C ATOM 1030 NH1 ARG A1082 18.286 -31.087 146.368 1.00 52.85 N ATOM 1031 NH2 ARG A1082 19.288 -30.014 144.603 1.00 42.49 N ATOM 1032 HE ARG A1082 17.679 -31.296 143.202 1.00 0.00 H ATOM 1033 HH12 ARG A1082 18.921 -30.592 147.027 1.00 0.00 H ATOM 1034 HH11 ARG A1082 17.579 -31.757 146.732 1.00 0.00 H ATOM 1035 HH22 ARG A1082 19.921 -29.521 145.265 1.00 0.00 H ATOM 1036 HH21 ARG A1082 19.368 -29.841 143.581 1.00 0.00 H ATOM 1037 H ARG A1082 19.209 -35.513 141.984 1.00 0.00 H ATOM 1038 N ASP A1083 17.935 -32.839 140.352 1.00 29.10 N ATOM 1039 CA ASP A1083 17.791 -31.718 139.424 1.00 30.15 C ATOM 1040 C ASP A1083 17.459 -32.178 138.007 1.00 33.43 C ATOM 1041 O ASP A1083 16.615 -31.582 137.338 1.00 34.44 O ATOM 1042 CB ASP A1083 19.067 -30.872 139.400 1.00 37.27 C ATOM 1043 CG ASP A1083 19.310 -30.142 140.706 1.00 53.54 C ATOM 1044 OD1 ASP A1083 18.342 -29.960 141.476 1.00 42.78 O ATOM 1045 OD2 ASP A1083 20.469 -29.749 140.959 1.00 41.89 O ATOM 1046 H ASP A1083 18.851 -32.992 140.820 1.00 0.00 H ATOM 1047 N THR A1084 18.131 -33.233 137.556 1.00 22.74 N ATOM 1048 CA THR A1084 17.915 -33.772 136.217 1.00 32.39 C ATOM 1049 C THR A1084 16.491 -34.298 136.051 1.00 27.71 C ATOM 1050 O THR A1084 15.845 -34.045 135.037 1.00 33.53 O ATOM 1051 CB THR A1084 18.909 -34.904 135.898 1.00 31.91 C ATOM 1052 OG1 THR A1084 20.250 -34.411 136.019 1.00 33.43 O ATOM 1053 CG2 THR A1084 18.693 -35.431 134.484 1.00 31.56 C ATOM 1054 HG1 THR A1084 20.400 -34.090 136.943 1.00 0.00 H ATOM 1055 H THR A1084 18.831 -33.688 138.176 1.00 0.00 H ATOM 1056 N ALA A1085 16.010 -35.029 137.053 1.00 27.02 N ATOM 1057 CA ALA A1085 14.660 -35.580 137.025 1.00 27.71 C ATOM 1058 C ALA A1085 13.621 -34.468 136.931 1.00 29.21 C ATOM 1059 O ALA A1085 12.718 -34.522 136.098 1.00 28.54 O ATOM 1060 CB ALA A1085 14.411 -36.437 138.257 1.00 30.81 C ATOM 1061 H ALA A1085 16.614 -35.213 137.880 1.00 0.00 H ATOM 1062 N TYR A1086 13.764 -33.458 137.783 1.00 23.83 N ATOM 1063 CA TYR A1086 12.862 -32.311 137.773 1.00 28.51 C ATOM 1064 C TYR A1086 12.922 -31.548 136.454 1.00 32.06 C ATOM 1065 O TYR A1086 11.897 -31.103 135.940 1.00 32.32 O ATOM 1066 CB TYR A1086 13.188 -31.366 138.931 1.00 35.33 C ATOM 1067 CG TYR A1086 12.484 -31.712 140.223 1.00 37.11 C ATOM 1068 CD1 TYR A1086 13.049 -32.597 141.131 1.00 35.80 C ATOM 1069 CD2 TYR A1086 11.252 -31.151 140.536 1.00 42.07 C ATOM 1070 CE1 TYR A1086 12.407 -32.915 142.318 1.00 37.71 C ATOM 1071 CE2 TYR A1086 10.602 -31.462 141.719 1.00 30.35 C ATOM 1072 CZ TYR A1086 11.184 -32.344 142.605 1.00 38.79 C ATOM 1073 OH TYR A1086 10.540 -32.656 143.782 1.00 30.60 O ATOM 1074 HH TYR A1086 11.090 -33.298 144.298 1.00 0.00 H ATOM 1075 H TYR A1086 14.540 -33.486 138.475 1.00 0.00 H ATOM 1076 N ALA A1087 14.126 -31.401 135.910 1.00 25.61 N ATOM 1077 CA ALA A1087 14.316 -30.665 134.663 1.00 32.30 C ATOM 1078 C ALA A1087 13.663 -31.382 133.483 1.00 33.35 C ATOM 1079 O ALA A1087 13.066 -30.746 132.615 1.00 25.80 O ATOM 1080 CB ALA A1087 15.798 -30.448 134.397 1.00 28.50 C ATOM 1081 H ALA A1087 14.952 -31.820 136.383 1.00 0.00 H ATOM 1082 N ILE A1088 13.785 -32.705 133.452 1.00 28.56 N ATOM 1083 CA ILE A1088 13.153 -33.503 132.408 1.00 25.95 C ATOM 1084 C ILE A1088 11.636 -33.370 132.483 1.00 32.58 C ATOM 1085 O ILE A1088 10.963 -33.172 131.472 1.00 36.44 O ATOM 1086 CB ILE A1088 13.550 -34.990 132.515 1.00 28.10 C ATOM 1087 CG1 ILE A1088 15.020 -35.170 132.130 1.00 30.57 C ATOM 1088 CG2 ILE A1088 12.663 -35.852 131.628 1.00 23.82 C ATOM 1089 CD1 ILE A1088 15.520 -36.589 132.254 1.00 22.98 C ATOM 1090 H ILE A1088 14.344 -33.182 134.189 1.00 0.00 H ATOM 1091 N ILE A1089 11.107 -33.461 133.697 1.00 32.80 N ATOM 1092 CA ILE A1089 9.670 -33.380 133.921 1.00 32.64 C ATOM 1093 C ILE A1089 9.147 -31.974 133.620 1.00 36.56 C ATOM 1094 O ILE A1089 8.092 -31.818 133.003 1.00 33.77 O ATOM 1095 CB ILE A1089 9.324 -33.799 135.371 1.00 29.27 C ATOM 1096 CG1 ILE A1089 9.544 -35.304 135.531 1.00 32.10 C ATOM 1097 CG2 ILE A1089 7.893 -33.438 135.717 1.00 29.42 C ATOM 1098 CD1 ILE A1089 9.469 -35.784 136.948 1.00 32.69 C ATOM 1099 H ILE A1089 11.738 -33.594 134.513 1.00 0.00 H ATOM 1100 N LYS A1090 9.900 -30.955 134.023 1.00 34.40 N ATOM 1101 CA LYS A1090 9.505 -29.574 133.758 1.00 33.54 C ATOM 1102 C LYS A1090 9.339 -29.318 132.264 1.00 38.44 C ATOM 1103 O LYS A1090 8.485 -28.537 131.847 1.00 32.65 O ATOM 1104 CB LYS A1090 10.531 -28.594 134.336 1.00 42.41 C ATOM 1105 CG LYS A1090 10.161 -27.133 134.125 1.00 53.28 C ATOM 1106 CD LYS A1090 11.234 -26.195 134.643 1.00 64.24 C ATOM 1107 CE LYS A1090 10.805 -24.744 134.494 1.00 67.84 C ATOM 1108 NZ LYS A1090 11.862 -23.801 134.954 1.00 75.77 N ATOM 1109 HZ1 LYS A1090 12.070 -23.978 135.958 1.00 0.00 H ATOM 1110 HZ2 LYS A1090 12.723 -23.946 134.390 1.00 0.00 H ATOM 1111 HZ3 LYS A1090 11.528 -22.823 134.835 1.00 0.00 H ATOM 1112 H LYS A1090 10.785 -31.144 134.535 1.00 0.00 H ATOM 1113 N GLU A1091 10.147 -29.997 131.459 1.00 36.61 N ATOM 1114 CA GLU A1091 10.170 -29.741 130.027 1.00 32.72 C ATOM 1115 C GLU A1091 9.257 -30.672 129.229 1.00 35.46 C ATOM 1116 O GLU A1091 8.769 -30.297 128.165 1.00 39.25 O ATOM 1117 CB GLU A1091 11.604 -29.848 129.505 1.00 36.06 C ATOM 1118 CG GLU A1091 11.825 -29.179 128.163 1.00 61.93 C ATOM 1119 CD GLU A1091 13.285 -28.860 127.909 1.00 91.18 C ATOM 1120 OE1 GLU A1091 14.077 -29.805 127.705 1.00 89.43 O ATOM 1121 OE2 GLU A1091 13.639 -27.662 127.920 1.00 80.43 O ATOM 1122 H GLU A1091 10.774 -30.724 131.859 1.00 0.00 H ATOM 1123 N GLU A1092 9.017 -31.875 129.740 1.00 27.76 N ATOM 1124 CA GLU A1092 8.326 -32.891 128.948 1.00 28.82 C ATOM 1125 C GLU A1092 6.955 -33.293 129.494 1.00 32.57 C ATOM 1126 O GLU A1092 6.159 -33.910 128.786 1.00 31.29 O ATOM 1127 CB GLU A1092 9.218 -34.129 128.815 1.00 25.29 C ATOM 1128 CG GLU A1092 10.596 -33.808 128.245 1.00 28.09 C ATOM 1129 CD GLU A1092 11.458 -35.037 128.039 1.00 33.35 C ATOM 1130 OE1 GLU A1092 10.908 -36.158 128.004 1.00 39.21 O ATOM 1131 OE2 GLU A1092 12.691 -34.877 127.909 1.00 40.06 O ATOM 1132 H GLU A1092 9.323 -32.095 130.709 1.00 0.00 H ATOM 1133 N LEU A1093 6.672 -32.947 130.744 1.00 31.37 N ATOM 1134 CA LEU A1093 5.374 -33.275 131.328 1.00 38.22 C ATOM 1135 C LEU A1093 4.362 -32.156 131.111 1.00 40.94 C ATOM 1136 O LEU A1093 4.606 -31.007 131.477 1.00 37.82 O ATOM 1137 CB LEU A1093 5.505 -33.560 132.822 1.00 36.20 C ATOM 1138 CG LEU A1093 4.174 -33.761 133.550 1.00 39.06 C ATOM 1139 CD1 LEU A1093 3.557 -35.097 133.171 1.00 28.18 C ATOM 1140 CD2 LEU A1093 4.354 -33.649 135.053 1.00 30.74 C ATOM 1141 H LEU A1093 7.380 -32.439 131.312 1.00 0.00 H ATOM 1142 N ASP A1094 3.223 -32.497 130.518 1.00 32.98 N ATOM 1143 CA ASP A1094 2.149 -31.529 130.335 1.00 30.35 C ATOM 1144 C ASP A1094 1.399 -31.341 131.649 1.00 33.11 C ATOM 1145 O ASP A1094 0.976 -32.314 132.271 1.00 29.90 O ATOM 1146 CB ASP A1094 1.191 -31.978 129.229 1.00 29.44 C ATOM 1147 CG ASP A1094 0.225 -30.884 128.819 1.00 35.46 C ATOM 1148 OD1 ASP A1094 -0.649 -30.523 129.634 1.00 38.23 O ATOM 1149 OD2 ASP A1094 0.336 -30.387 127.680 1.00 39.98 O ATOM 1150 H ASP A1094 3.096 -33.472 130.178 1.00 0.00 H ATOM 1151 N GLU A1095 1.239 -30.088 132.065 1.00 30.29 N ATOM 1152 CA GLU A1095 0.595 -29.770 133.337 1.00 40.71 C ATOM 1153 C GLU A1095 -0.855 -30.240 133.389 1.00 33.07 C ATOM 1154 O GLU A1095 -1.363 -30.588 134.455 1.00 31.17 O ATOM 1155 CB GLU A1095 0.654 -28.263 133.606 1.00 38.55 C ATOM 1156 CG GLU A1095 2.061 -27.708 133.741 1.00 79.65 C ATOM 1157 CD GLU A1095 2.073 -26.218 134.027 1.00104.27 C ATOM 1158 OE1 GLU A1095 0.986 -25.648 134.262 1.00 81.17 O ATOM 1159 OE2 GLU A1095 3.169 -25.619 134.014 1.00105.01 O ATOM 1160 H GLU A1095 1.583 -29.310 131.466 1.00 0.00 H ATOM 1161 N ASP A1096 -1.522 -30.243 132.240 1.00 29.51 N ATOM 1162 CA ASP A1096 -2.906 -30.699 132.180 1.00 31.14 C ATOM 1163 C ASP A1096 -2.983 -32.213 132.339 1.00 30.09 C ATOM 1164 O ASP A1096 -3.956 -32.734 132.883 1.00 30.14 O ATOM 1165 CB ASP A1096 -3.567 -30.267 130.869 1.00 35.39 C ATOM 1166 CG ASP A1096 -3.757 -28.766 130.779 1.00 35.49 C ATOM 1167 OD1 ASP A1096 -3.966 -28.130 131.834 1.00 37.10 O ATOM 1168 OD2 ASP A1096 -3.696 -28.222 129.656 1.00 46.84 O ATOM 1169 H ASP A1096 -1.051 -29.916 131.372 1.00 0.00 H ATOM 1170 N PHE A1097 -1.958 -32.915 131.861 1.00 29.44 N ATOM 1171 CA PHE A1097 -1.895 -34.366 132.015 1.00 25.17 C ATOM 1172 C PHE A1097 -1.706 -34.728 133.484 1.00 27.65 C ATOM 1173 O PHE A1097 -2.366 -35.631 134.001 1.00 33.40 O ATOM 1174 CB PHE A1097 -0.763 -34.966 131.174 1.00 26.67 C ATOM 1175 CG PHE A1097 -0.623 -36.455 131.330 1.00 27.69 C ATOM 1176 CD1 PHE A1097 -1.412 -37.319 130.588 1.00 28.55 C ATOM 1177 CD2 PHE A1097 0.289 -36.991 132.227 1.00 25.63 C ATOM 1178 CE1 PHE A1097 -1.294 -38.689 130.735 1.00 32.70 C ATOM 1179 CE2 PHE A1097 0.410 -38.359 132.378 1.00 29.08 C ATOM 1180 CZ PHE A1097 -0.383 -39.208 131.630 1.00 28.54 C ATOM 1181 H PHE A1097 -1.187 -32.421 131.368 1.00 0.00 H ATOM 1182 N GLU A1098 -0.800 -34.020 134.150 1.00 29.76 N ATOM 1183 CA GLU A1098 -0.559 -34.239 135.568 1.00 28.22 C ATOM 1184 C GLU A1098 -1.795 -33.885 136.389 1.00 34.04 C ATOM 1185 O GLU A1098 -2.136 -34.585 137.339 1.00 28.04 O ATOM 1186 CB GLU A1098 0.645 -33.424 136.044 1.00 30.27 C ATOM 1187 CG GLU A1098 0.807 -33.362 137.560 1.00 31.27 C ATOM 1188 CD GLU A1098 1.076 -34.718 138.202 1.00 35.58 C ATOM 1189 OE1 GLU A1098 1.362 -35.696 137.478 1.00 33.23 O ATOM 1190 OE2 GLU A1098 1.011 -34.804 139.446 1.00 44.41 O ATOM 1191 H GLU A1098 -0.251 -33.294 133.647 1.00 0.00 H ATOM 1192 N GLN A1099 -2.466 -32.800 136.009 1.00 29.35 N ATOM 1193 CA GLN A1099 -3.675 -32.368 136.703 1.00 34.30 C ATOM 1194 C GLN A1099 -4.765 -33.430 136.608 1.00 32.60 C ATOM 1195 O GLN A1099 -5.465 -33.702 137.584 1.00 31.74 O ATOM 1196 CB GLN A1099 -4.181 -31.041 136.134 1.00 36.13 C ATOM 1197 CG GLN A1099 -5.375 -30.469 136.879 1.00 35.65 C ATOM 1198 CD GLN A1099 -5.058 -30.143 138.325 1.00 45.97 C ATOM 1199 OE1 GLN A1099 -3.935 -29.765 138.656 1.00 37.43 O ATOM 1200 NE2 GLN A1099 -6.049 -30.289 139.195 1.00 32.42 N ATOM 1201 HE22 GLN A1099 -6.983 -30.611 138.870 1.00 0.00 H ATOM 1202 HE21 GLN A1099 -5.892 -30.081 140.202 1.00 0.00 H ATOM 1203 H GLN A1099 -2.121 -32.247 135.199 1.00 0.00 H ATOM 1204 N LEU A1100 -4.897 -34.032 135.429 1.00 29.83 N ATOM 1205 CA LEU A1100 -5.852 -35.114 135.222 1.00 31.62 C ATOM 1206 C LEU A1100 -5.535 -36.306 136.121 1.00 41.00 C ATOM 1207 O LEU A1100 -6.433 -36.882 136.732 1.00 34.71 O ATOM 1208 CB LEU A1100 -5.865 -35.550 133.753 1.00 33.74 C ATOM 1209 CG LEU A1100 -6.744 -36.763 133.439 1.00 38.19 C ATOM 1210 CD1 LEU A1100 -8.195 -36.484 133.813 1.00 40.49 C ATOM 1211 CD2 LEU A1100 -6.626 -37.167 131.974 1.00 32.46 C ATOM 1212 H LEU A1100 -4.303 -33.722 134.633 1.00 0.00 H ATOM 1213 N CYS A1101 -4.257 -36.670 136.200 1.00 34.11 N ATOM 1214 CA CYS A1101 -3.825 -37.771 137.058 1.00 34.75 C ATOM 1215 C CYS A1101 -4.205 -37.516 138.512 1.00 32.81 C ATOM 1216 O CYS A1101 -4.672 -38.415 139.210 1.00 34.36 O ATOM 1217 CB CYS A1101 -2.313 -37.985 136.947 1.00 27.39 C ATOM 1218 SG CYS A1101 -1.762 -38.711 135.386 1.00 29.98 S ATOM 1219 H CYS A1101 -3.548 -36.158 135.637 1.00 0.00 H ATOM 1220 N GLU A1102 -4.004 -36.281 138.959 1.00 28.29 N ATOM 1221 CA GLU A1102 -4.282 -35.914 140.340 1.00 34.56 C ATOM 1222 C GLU A1102 -5.775 -35.957 140.638 1.00 43.65 C ATOM 1223 O GLU A1102 -6.187 -36.402 141.707 1.00 39.91 O ATOM 1224 CB GLU A1102 -3.723 -34.523 140.649 1.00 26.80 C ATOM 1225 CG GLU A1102 -2.202 -34.438 140.581 1.00 44.14 C ATOM 1226 CD GLU A1102 -1.675 -33.043 140.867 1.00 55.14 C ATOM 1227 OE1 GLU A1102 -2.492 -32.145 141.162 1.00 61.38 O ATOM 1228 OE2 GLU A1102 -0.443 -32.846 140.796 1.00 48.16 O ATOM 1229 H GLU A1102 -3.639 -35.559 138.306 1.00 0.00 H ATOM 1230 N GLU A1103 -6.587 -35.504 139.688 1.00 37.08 N ATOM 1231 CA GLU A1103 -8.028 -35.455 139.906 1.00 50.90 C ATOM 1232 C GLU A1103 -8.647 -36.850 139.852 1.00 32.87 C ATOM 1233 O GLU A1103 -9.621 -37.122 140.548 1.00 44.07 O ATOM 1234 CB GLU A1103 -8.693 -34.515 138.895 1.00 29.13 C ATOM 1235 CG GLU A1103 -8.403 -33.047 139.185 1.00 32.11 C ATOM 1236 CD GLU A1103 -9.105 -32.092 138.241 1.00 34.04 C ATOM 1237 OE1 GLU A1103 -9.963 -32.544 137.454 1.00 33.63 O ATOM 1238 OE2 GLU A1103 -8.792 -30.884 138.289 1.00 31.09 O ATOM 1239 H GLU A1103 -6.191 -35.182 138.782 1.00 0.00 H ATOM 1240 N ILE A1104 -8.077 -37.736 139.040 1.00 31.75 N ATOM 1241 CA ILE A1104 -8.502 -39.132 139.050 1.00 26.68 C ATOM 1242 C ILE A1104 -8.124 -39.771 140.383 1.00 46.97 C ATOM 1243 O ILE A1104 -8.906 -40.513 140.977 1.00 43.37 O ATOM 1244 CB ILE A1104 -7.873 -39.946 137.903 1.00 37.55 C ATOM 1245 CG1 ILE A1104 -8.301 -39.393 136.546 1.00 35.83 C ATOM 1246 CG2 ILE A1104 -8.276 -41.409 138.004 1.00 33.78 C ATOM 1247 CD1 ILE A1104 -7.652 -40.104 135.378 1.00 30.77 C ATOM 1248 H ILE A1104 -7.322 -37.431 138.393 1.00 0.00 H ATOM 1249 N GLN A1105 -6.919 -39.465 140.853 1.00 40.34 N ATOM 1250 CA GLN A1105 -6.410 -40.026 142.098 1.00 58.38 C ATOM 1251 C GLN A1105 -7.223 -39.544 143.297 1.00 57.40 C ATOM 1252 O GLN A1105 -7.531 -40.321 144.201 1.00 49.40 O ATOM 1253 CB GLN A1105 -4.935 -39.663 142.286 1.00 38.27 C ATOM 1254 CG GLN A1105 -4.239 -40.465 143.371 1.00 50.49 C ATOM 1255 CD GLN A1105 -3.460 -39.593 144.334 1.00 68.35 C ATOM 1256 OE1 GLN A1105 -4.040 -38.926 145.191 1.00 93.16 O ATOM 1257 NE2 GLN A1105 -2.138 -39.593 144.199 1.00 53.10 N ATOM 1258 HE22 GLN A1105 -1.691 -40.172 143.460 1.00 0.00 H ATOM 1259 HE21 GLN A1105 -1.551 -39.014 144.832 1.00 0.00 H ATOM 1260 H GLN A1105 -6.321 -38.805 140.316 1.00 0.00 H ATOM 1261 N GLU A1106 -7.571 -38.261 143.294 1.00 40.62 N ATOM 1262 CA GLU A1106 -8.327 -37.665 144.391 1.00 49.93 C ATOM 1263 C GLU A1106 -9.768 -38.166 144.442 1.00 53.49 C ATOM 1264 O GLU A1106 -10.443 -38.028 145.462 1.00 67.85 O ATOM 1265 CB GLU A1106 -8.313 -36.139 144.277 1.00 36.63 C ATOM 1266 CG GLU A1106 -6.976 -35.511 144.629 1.00 63.50 C ATOM 1267 CD GLU A1106 -6.763 -34.172 143.949 1.00 73.12 C ATOM 1268 OE1 GLU A1106 -7.689 -33.699 143.255 1.00 77.75 O ATOM 1269 OE2 GLU A1106 -5.665 -33.597 144.102 1.00 70.83 O ATOM 1270 H GLU A1106 -7.297 -37.665 142.487 1.00 0.00 H ATOM 1271 N SER A1107 -10.232 -38.752 143.343 1.00 61.79 N ATOM 1272 CA SER A1107 -11.604 -39.244 143.264 1.00 68.87 C ATOM 1273 C SER A1107 -11.710 -40.702 143.700 1.00 68.75 C ATOM 1274 O SER A1107 -12.772 -41.314 143.588 1.00 49.77 O ATOM 1275 CB SER A1107 -12.149 -39.091 141.842 1.00 51.39 C ATOM 1276 OG SER A1107 -11.587 -40.064 140.975 1.00 54.03 O ATOM 1277 HG SER A1107 -11.955 -39.944 140.064 1.00 0.00 H ATOM 1278 H SER A1107 -9.604 -38.862 142.521 1.00 0.00 H ATOM 1279 N ARG A1108 -10.608 -41.258 144.192 1.00 69.69 N ATOM 1280 CA ARG A1108 -10.593 -42.651 144.625 1.00 79.68 C ATOM 1281 C ARG A1108 -10.364 -42.768 146.128 1.00 87.13 C ATOM 1282 O ARG A1108 -9.704 -41.926 146.740 1.00 73.32 O ATOM 1283 CB ARG A1108 -9.522 -43.435 143.863 1.00 60.82 C ATOM 1284 CG ARG A1108 -9.767 -43.492 142.365 1.00 68.81 C ATOM 1285 CD ARG A1108 -8.782 -44.405 141.657 1.00 61.31 C ATOM 1286 NE ARG A1108 -9.151 -44.597 140.256 1.00 73.96 N ATOM 1287 CZ ARG A1108 -8.481 -45.362 139.400 1.00 81.10 C ATOM 1288 NH1 ARG A1108 -8.897 -45.474 138.145 1.00 55.11 N ATOM 1289 NH2 ARG A1108 -7.397 -46.016 139.797 1.00 66.24 N ATOM 1290 OXT ARG A1108 -10.838 -43.708 146.766 1.00 87.87 O ATOM 1291 HE ARG A1108 -9.995 -44.101 139.905 1.00 0.00 H ATOM 1292 HH12 ARG A1108 -8.373 -46.072 137.475 1.00 0.00 H ATOM 1293 HH11 ARG A1108 -9.747 -44.963 137.831 1.00 0.00 H ATOM 1294 HH22 ARG A1108 -6.875 -46.614 139.125 1.00 0.00 H ATOM 1295 HH21 ARG A1108 -7.069 -45.931 140.780 1.00 0.00 H ATOM 1296 H ARG A1108 -9.740 -40.690 144.270 1.00 0.00 H TER 1297 ARG A1108 HETATM 1298 O HOH 1 30.121 -34.509 158.791 1.00 61.24 O HETATM 1299 O HOH 2 -12.418 -40.038 138.683 1.00 48.27 O HETATM 1300 O HOH 3 30.270 -39.943 156.076 1.00 46.94 O HETATM 1301 O HOH 4 -11.343 -35.650 141.552 1.00 41.63 O HETATM 1302 O HOH 5 -10.062 -33.519 142.493 1.00 49.41 O HETATM 1303 O HOH 6 -2.855 -47.803 126.737 1.00 47.81 O HETATM 1304 O HOH 7 8.684 -46.214 151.494 1.00 56.30 O HETATM 1305 O HOH 8 -2.351 -28.888 127.625 1.00 47.51 O HETATM 1306 O HOH 9 9.235 -54.513 137.470 1.00 38.86 O HETATM 1307 O HOH 10 12.545 -48.855 157.968 1.00 52.97 O HETATM 1308 O HOH 11 -11.806 -34.225 136.860 1.00 31.63 O HETATM 1309 O HOH 12 31.662 -41.078 146.547 1.00 45.95 O HETATM 1310 O HOH 13 8.528 -46.078 128.576 1.00 30.49 O HETATM 1311 O HOH 14 8.415 -44.457 149.119 1.00 52.36 O HETATM 1312 O HOH 15 -7.160 -43.578 125.690 1.00 61.33 O HETATM 1313 O HOH 16 20.483 -40.302 129.933 1.00 46.25 O HETATM 1314 O HOH 17 27.235 -33.481 137.401 1.00 38.05 O HETATM 1315 O HOH 18 34.636 -34.907 145.817 1.00 37.80 O HETATM 1316 O HOH 19 -0.898 -36.853 126.863 1.00 32.03 O HETATM 1317 O HOH 20 9.055 -27.969 126.805 1.00 65.16 O HETATM 1318 O HOH 21 2.119 -52.196 134.372 1.00 47.77 O HETATM 1319 O HOH 22 36.882 -39.339 150.955 1.00 46.43 O HETATM 1320 O HOH 23 -2.656 -44.951 127.219 1.00 49.34 O HETATM 1321 O HOH 24 14.257 -32.516 128.431 1.00 48.91 O HETATM 1322 O HOH 25 14.388 -43.369 128.126 1.00 42.05 O HETATM 1323 O HOH 26 36.418 -32.577 149.749 1.00 31.46 O HETATM 1324 O HOH 27 -4.311 -27.841 134.647 1.00 45.95 O HETATM 1325 O HOH 28 1.036 -50.722 127.235 1.00 44.26 O HETATM 1326 O HOH 29 24.896 -31.255 141.473 1.00 42.36 O HETATM 1327 O HOH 30 7.520 -54.606 139.725 1.00 40.74 O HETATM 1328 O HOH 31 6.886 -34.809 126.121 1.00 40.07 O HETATM 1329 O HOH 32 1.656 -38.876 124.551 1.00 26.78 O HETATM 1330 O HOH 33 -14.845 -41.683 136.183 1.00 56.99 O HETATM 1331 O HOH 34 30.755 -30.117 153.235 1.00 51.47 O HETATM 1332 O HOH 35 15.701 -49.826 156.351 1.00 52.69 O HETATM 1333 O HOH 36 -6.531 -26.522 131.181 1.00 49.60 O HETATM 1334 O HOH 37 3.514 -54.691 135.364 1.00 44.89 O HETATM 1335 O HOH 38 5.385 -32.225 126.085 1.00 53.91 O HETATM 1336 O HOH 39 11.216 -46.731 128.896 1.00 28.15 O HETATM 1337 O HOH 40 5.198 -30.246 127.688 1.00 53.53 O HETATM 1338 O HOH 41 5.244 -55.895 138.521 1.00 46.24 O HETATM 1339 O HOH 42 8.769 -44.499 126.266 1.00 37.77 O HETATM 1340 O HOH 43 25.923 -31.286 137.882 1.00 46.18 O HETATM 1341 O HOH 44 -10.042 -30.600 142.837 1.00 55.20 O HETATM 1342 O HOH 45 1.226 -35.274 127.603 1.00 42.75 O HETATM 1343 O HOH 46 11.954 -56.149 144.432 1.00 62.69 O HETATM 1344 O HOH 47 35.330 -32.651 147.280 1.00 38.48 O HETATM 1345 O HOH 48 8.942 -52.091 145.985 1.00 54.21 O HETATM 1346 O HOH 49 12.092 -41.965 158.145 1.00 51.57 O HETATM 1347 O HOH 50 2.946 -46.647 138.746 1.00 32.74 O HETATM 1348 O HOH 51 20.001 -44.844 146.854 1.00 35.31 O HETATM 1349 O HOH 52 20.346 -42.670 148.035 1.00 32.51 O HETATM 1350 O HOH 53 27.505 -42.916 140.919 1.00 38.92 O HETATM 1351 O HOH 54 15.902 -29.047 137.907 1.00 31.63 O HETATM 1352 O HOH 55 0.029 -46.816 137.687 1.00 38.47 O HETATM 1353 O HOH 56 2.480 -27.914 130.464 1.00 42.00 O HETATM 1354 O HOH 57 16.058 -39.107 153.605 1.00 37.99 O HETATM 1355 O HOH 58 21.717 -42.932 150.296 1.00 38.68 O HETATM 1356 O HOH 59 10.570 -37.689 149.634 1.00 42.67 O HETATM 1357 O HOH 60 24.192 -45.256 135.843 1.00 37.43 O HETATM 1358 O HOH 61 -2.740 -47.422 138.246 1.00 40.45 O HETATM 1359 O HOH 62 18.547 -45.624 149.555 1.00 42.54 O HETATM 1360 O HOH 63 -0.222 -36.886 144.242 1.00 41.25 O HETATM 1361 O HOH 64 8.781 -34.501 146.461 1.00 39.04 O HETATM 1362 O HOH 65 2.351 -29.961 136.851 1.00 47.01 O HETATM 1363 O HOH 66 29.955 -44.294 137.498 1.00 47.46 O HETATM 1364 O HOH 67 15.585 -34.333 147.818 1.00 45.43 O HETATM 1365 O HOH 68 14.817 -42.572 154.848 1.00 46.46 O HETATM 1366 O HOH 69 11.953 -49.792 133.032 1.00 41.73 O HETATM 1367 O HOH 70 15.973 -42.335 157.547 1.00 51.70 O HETATM 1368 O HOH 71 16.768 -49.106 148.029 1.00 44.49 O HETATM 1369 O HOH 72 -0.465 -29.954 136.978 1.00 44.60 O HETATM 1370 O HOH 73 14.856 -26.819 134.350 1.00 46.24 O HETATM 1371 O HOH 74 14.020 -27.838 136.789 1.00 40.72 O HETATM 1372 O HOH 75 19.571 -30.167 135.952 1.00 43.26 O HETATM 1373 O HOH 76 21.770 -48.652 134.596 1.00 46.45 O HETATM 1374 O HOH 77 29.035 -42.270 155.691 1.00 48.56 O HETATM 1375 O HOH 78 7.079 -32.724 143.747 1.00 43.92 O HETATM 1376 O HOH 79 18.280 -34.250 130.741 1.00 48.96 O HETATM 1377 O HOH 80 13.764 -53.040 138.954 1.00 40.99 O HETATM 1378 O HOH 81 13.298 -33.789 150.111 1.00 55.05 O HETATM 1379 O HOH 82 19.220 -49.093 149.267 1.00 51.03 O HETATM 1380 O HOH 83 22.050 -33.688 133.966 1.00 47.08 O HETATM 1381 O HOH 84 20.496 -38.480 132.960 1.00 49.74 O HETATM 1382 O HOH 85 29.953 -42.226 153.128 1.00 49.89 O HETATM 1383 O HOH 86 23.337 -37.190 158.585 1.00 45.76 O HETATM 1384 O HOH 87 13.015 -36.561 150.642 1.00 39.02 O HETATM 1385 O HOH 88 5.566 -42.209 146.420 1.00 52.33 O HETATM 1386 O HOH 89 18.405 -49.377 138.180 1.00 44.52 O HETATM 1387 O HOH 90 13.417 -31.522 145.542 1.00 55.06 O HETATM 1388 O HOH 91 18.248 -28.007 136.905 1.00 49.85 O HETATM 1389 O HOH 92 19.234 -30.851 133.368 1.00 48.35 O HETATM 1390 O HOH 93 1.028 -54.289 138.732 1.00 44.75 O HETATM 1391 O HOH 94 17.484 -32.829 132.378 1.00 54.50 O HETATM 1392 O HOH 95 2.892 -56.941 139.073 1.00 55.93 O HETATM 1393 O HOH 96 6.698 -34.584 144.997 1.00 45.95 O HETATM 1394 O HOH 97 25.551 -46.895 132.500 1.00 62.63 O HETATM 1395 O HOH 98 22.715 -30.354 139.376 1.00 53.84 O HETATM 1396 O HOH 99 24.614 -49.209 145.311 1.00 63.65 O HETATM 1397 O HOH 100 25.976 -46.866 134.779 1.00 50.45 O HETATM 1398 O HOH 101 22.438 -51.666 156.030 1.00 66.31 O HETATM 1399 O HOH 102 18.859 -35.078 153.524 1.00 49.46 O HETATM 1400 O HOH 103 11.254 -27.823 138.164 1.00 52.14 O HETATM 1401 O HOH 104 12.141 -54.437 137.527 1.00 56.93 O HETATM 1402 O HOH 105 21.881 -31.403 137.182 1.00 57.08 O HETATM 1403 O HOH 106 17.681 -26.828 134.323 1.00 52.85 O HETATM 1404 O HOH 107 15.860 -31.800 130.553 1.00 49.07 O HETATM 1405 O HOH 108 -2.973 -53.530 133.919 1.00 60.15 O HETATM 1406 O HOH 109 15.605 -29.172 141.195 1.00 52.31 O HETATM 1407 O HOH 110 5.896 -29.643 133.791 1.00 46.47 O HETATM 1408 O HOH 111 3.734 -44.073 145.941 1.00 58.90 O HETATM 1409 O HOH 112 15.390 -53.483 143.839 1.00 53.95 O HETATM 1410 O HOH 113 9.378 -35.275 149.154 1.00 50.16 O HETATM 1411 O HOH 114 9.172 -39.307 151.647 1.00 56.34 O HETATM 1412 O HOH 115 13.669 -28.745 142.516 1.00 65.78 O HETATM 1413 O HOH 116 13.202 -53.969 143.450 1.00 57.92 O HETATM 1414 O HOH 117 13.794 -28.023 132.232 1.00 51.29 O HETATM 1415 O HOH 118 27.014 -38.437 132.532 1.00 51.54 O HETATM 1416 O HOH 119 -4.304 -51.819 135.351 1.00 68.31 O HETATM 1417 O HOH 120 9.717 -30.001 137.449 1.00 58.71 O HETATM 1418 O HOH 121 29.068 -31.438 146.905 1.00 48.19 O HETATM 1419 O HOH 122 13.110 -47.302 132.950 1.00 41.57 O HETATM 1420 O HOH 123 -3.628 -51.483 132.954 1.00 53.92 O HETATM 1421 O HOH 124 17.096 -32.226 148.307 1.00 50.92 O HETATM 1422 O HOH 125 15.176 -48.414 132.850 1.00 44.68 O HETATM 1423 O HOH 126 -15.698 -47.961 130.948 1.00 64.85 O HETATM 1424 O HOH 127 10.534 -50.289 147.988 1.00 56.84 O HETATM 1425 O HOH 128 3.932 -29.951 135.224 1.00 55.45 O HETATM 1426 O HOH 129 19.625 -49.741 136.113 1.00 52.67 O HETATM 1427 O HOH 130 18.050 -28.306 132.279 1.00 52.12 O HETATM 1428 O HOH 131 6.943 -50.152 147.756 1.00 52.51 O HETATM 1429 O HOH 132 8.129 -48.456 148.877 1.00 53.44 O HETATM 1430 O HOH 133 0.877 -36.066 146.724 1.00 68.73 O HETATM 1431 O HOH 134 -15.265 -46.240 128.983 1.00 73.93 O HETATM 1432 O HOH 135 25.924 -51.217 147.848 1.00 62.21 O HETATM 1433 C13 UNN A 136 28.412 -45.584 148.480 1.00 -0.06 C HETATM 1434 C09 UNN A 136 27.488 -46.721 148.978 1.00 -0.00 C HETATM 1435 C08 UNN A 136 26.444 -47.051 147.859 1.00 -0.01 C HETATM 1436 C02 UNN A 136 25.070 -46.428 147.903 1.00 0.00 C HETATM 1437 C01 UNN A 136 24.622 -45.367 148.664 1.00 0.10 C HETATM 1438 S04 UNN A 136 22.944 -45.004 148.353 1.00 0.02 S HETATM 1439 C05 UNN A 136 22.913 -46.317 147.192 1.00 0.18 C HETATM 1440 N03 UNN A 136 24.074 -46.954 147.065 1.00 -0.30 N HETATM 1441 N11 UNN A 136 21.780 -46.649 146.481 1.00 -0.29 N HETATM 1442 H UNN A 136 21.804 -47.428 145.808 1.00 0.19 H HETATM 1443 H UNN A 136 20.909 -46.118 146.623 1.00 0.19 H HETATM 1444 C06 UNN A 136 25.270 -44.501 149.662 1.00 0.19 C HETATM 1445 N07 UNN A 136 26.276 -44.992 150.396 1.00 -0.29 N HETATM 1446 C12 UNN A 136 26.863 -46.332 150.347 1.00 0.04 C HETATM 1447 H UNN A 136 26.073 -47.060 150.582 1.00 0.05 H HETATM 1448 H UNN A 136 27.652 -46.388 151.111 1.00 0.05 H HETATM 1449 H UNN A 136 26.677 -44.364 151.062 1.00 0.18 H HETATM 1450 O10 UNN A 136 24.888 -43.344 149.828 1.00 -0.41 O HETATM 1451 H UNN A 136 26.898 -46.752 146.903 1.00 0.04 H HETATM 1452 H UNN A 136 26.299 -48.141 147.871 1.00 0.04 H HETATM 1453 C14 UNN A 136 28.367 -47.967 149.215 1.00 -0.06 C HETATM 1454 H UNN A 136 28.829 -48.275 148.266 1.00 0.02 H HETATM 1455 H UNN A 136 27.744 -48.787 149.603 1.00 0.02 H HETATM 1456 H UNN A 136 29.154 -47.727 149.945 1.00 0.02 H HETATM 1457 H UNN A 136 28.851 -45.866 147.511 1.00 0.02 H HETATM 1458 H UNN A 136 29.216 -45.418 149.212 1.00 0.02 H HETATM 1459 H UNN A 136 27.826 -44.660 148.362 1.00 0.02 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1433 1434 1457 1458 1459 CONECT 1434 1433 1435 1446 1453 CONECT 1435 1434 1436 1451 1452 CONECT 1436 1435 1437 1440 CONECT 1437 1436 1438 1444 CONECT 1438 1437 1439 CONECT 1439 1438 1440 1441 CONECT 1440 1436 1439 CONECT 1441 1439 1442 1443 CONECT 1442 1441 CONECT 1443 1441 CONECT 1444 1437 1445 1450 CONECT 1445 1444 1446 1449 CONECT 1446 1434 1445 1447 1448 CONECT 1447 1446 CONECT 1448 1446 CONECT 1449 1445 CONECT 1450 1444 CONECT 1451 1435 CONECT 1452 1435 CONECT 1453 1434 1454 1455 1456 CONECT 1454 1453 CONECT 1455 1453 CONECT 1456 1453 CONECT 1457 1433 CONECT 1458 1433 CONECT 1459 1433 MASTER 0 0 0 0 0 0 0 0 1458 1 31 10 END
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Structure:
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Related entries of code: 4tz8
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130aa, >4QSW_1|Chain... at 100%
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130aa, >4QSX_1|Chain... at 100%
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130aa, >4TT2_1|Chain... at 100%
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130aa, >4TTE_1|Chain... at 100%
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130aa, >4TU4_1|Chain... at 100%
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130aa, >4TYL_1|Chain... at 100%
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PDBbind
130aa, >4TZ2_1|Chain... at 100%
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PDBbind
130aa, >5A5O_1|Chain... at 100%
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RCSB PDB
PDBbind
130aa, >5A5P_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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RCSB PDB
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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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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
4tz8
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ATPase family AAA domain-containing protein 2 ATAD2
Ligand Name
39U
EC.Number
E.C.3.6.1.3
Resolution
2.15(Å)
Affinity (Kd/Ki/IC50)
Kd=500uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) J.Med.Chem. Vol. 57: pp. 9687-9692
Ligand Properties
Formula
C
9
H
1
3
N
3
OS
Molecular Weight
211.284
Exact Mass
211.078
No. of atoms
27
No. of bonds
28
Polar Surface Area
96.25
LOGP Value
1.48 (
Computed with XLOGP3
)
1.95 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
Canonical SMILES
O=C1NCC(Cc2c1sc(n2)N)(C)C
InChI String
InChI=1S/C9H13N3OS/c1-9(2)3-5-6(7(13)11-4-9)14-8(10)12-5/h3-4H2,1-2H3,(H2,10,12)(H,11,13)
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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