Browse entries in the PDBbind-CN Database
HEADER 5VAR_COMPLEX COMPND 5VAR_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 108 GLN SER ILE THR ALA GLY GLN LYS VAL ILE SER LYS HIS SEQRES 2 A 108 LYS ASN GLY ARG PHE TYR GLN CYS GLU VAL VAL ARG LEU SEQRES 3 A 108 THR THR GLU THR PHE TYR GLU VAL ASN PHE ASP ASP GLY SEQRES 4 A 108 SER PHE SER ASP ASN LEU TYR PRO GLU ASP ILE VAL SER SEQRES 5 A 108 GLN ASP CYS LEU GLN PHE GLY PRO PRO ALA GLU GLY GLU SEQRES 6 A 108 VAL VAL GLN VAL ARG TRP THR ASP GLY GLN VAL TYR GLY SEQRES 7 A 108 ALA LYS PHE VAL ALA SER HIS PRO ILE GLN MET TYR GLN SEQRES 8 A 108 VAL GLU PHE GLU ASP GLY SER GLN LEU VAL VAL LYS ARG SEQRES 9 A 108 ASP ASP VAL TYR HET UNN A 183 42 ATOM 1 N GLN A 897 -0.392 18.336 17.011 1.00 38.53 N ATOM 2 CA GLN A 897 -1.781 18.480 17.463 1.00 38.82 C ATOM 3 C GLN A 897 -2.426 17.109 17.703 1.00 42.82 C ATOM 4 O GLN A 897 -2.274 16.189 16.895 1.00 40.87 O ATOM 5 CB GLN A 897 -2.606 19.295 16.461 1.00 40.16 C ATOM 6 CG GLN A 897 -3.843 19.920 17.077 1.00 60.25 C ATOM 7 CD GLN A 897 -4.618 20.732 16.075 1.00 81.01 C ATOM 8 OE1 GLN A 897 -4.434 21.951 15.954 1.00 76.57 O ATOM 9 NE2 GLN A 897 -5.515 20.075 15.349 1.00 69.86 N ATOM 10 HE22 GLN A 897 -5.640 19.051 15.480 1.00 0.00 H ATOM 11 HE21 GLN A 897 -6.092 20.585 14.650 1.00 0.00 H ATOM 12 HN3 GLN A 897 -0.372 17.797 16.122 1.00 0.00 H ATOM 13 HN2 GLN A 897 0.157 17.831 17.736 1.00 0.00 H ATOM 14 HN1 GLN A 897 0.020 19.278 16.856 1.00 0.00 H ATOM 15 N SER A 898 -3.129 16.992 18.835 1.00 39.82 N ATOM 16 CA SER A 898 -3.804 15.791 19.312 1.00 39.79 C ATOM 17 C SER A 898 -4.841 15.260 18.324 1.00 40.35 C ATOM 18 O SER A 898 -5.729 15.998 17.892 1.00 38.93 O ATOM 19 CB SER A 898 -4.462 16.067 20.663 1.00 46.04 C ATOM 20 OG SER A 898 -5.398 17.130 20.553 1.00 59.81 O ATOM 21 HG SER A 898 -5.814 17.295 21.436 1.00 0.00 H ATOM 22 H SER A 898 -3.201 17.840 19.433 1.00 0.00 H ATOM 23 N ILE A 899 -4.699 13.979 17.946 1.00 35.65 N ATOM 24 CA ILE A 899 -5.631 13.294 17.044 1.00 33.78 C ATOM 25 C ILE A 899 -6.445 12.326 17.900 1.00 33.77 C ATOM 26 O ILE A 899 -5.865 11.522 18.633 1.00 33.72 O ATOM 27 CB ILE A 899 -4.895 12.547 15.881 1.00 37.11 C ATOM 28 CG1 ILE A 899 -3.924 13.471 15.089 1.00 37.83 C ATOM 29 CG2 ILE A 899 -5.889 11.820 14.946 1.00 36.62 C ATOM 30 CD1 ILE A 899 -4.532 14.716 14.309 1.00 46.88 C ATOM 31 H ILE A 899 -3.885 13.445 18.312 1.00 0.00 H ATOM 32 N THR A 900 -7.774 12.403 17.825 1.00 29.23 N ATOM 33 CA THR A 900 -8.623 11.492 18.607 1.00 28.87 C ATOM 34 C THR A 900 -9.458 10.568 17.706 1.00 30.44 C ATOM 35 O THR A 900 -9.700 10.882 16.542 1.00 28.17 O ATOM 36 CB THR A 900 -9.536 12.287 19.571 1.00 39.64 C ATOM 37 OG1 THR A 900 -10.352 13.170 18.806 1.00 39.02 O ATOM 38 CG2 THR A 900 -8.756 13.065 20.629 1.00 39.91 C ATOM 39 HG1 THR A 900 -9.775 13.794 18.298 1.00 0.00 H ATOM 40 H THR A 900 -8.214 13.114 17.207 1.00 0.00 H ATOM 41 N ALA A 901 -9.908 9.427 18.258 1.00 28.24 N ATOM 42 CA ALA A 901 -10.780 8.494 17.555 1.00 28.03 C ATOM 43 C ALA A 901 -12.131 9.184 17.302 1.00 30.27 C ATOM 44 O ALA A 901 -12.606 9.956 18.143 1.00 29.36 O ATOM 45 CB ALA A 901 -10.953 7.231 18.385 1.00 29.41 C ATOM 46 H ALA A 901 -9.621 9.200 19.231 1.00 0.00 H ATOM 47 N GLY A 902 -12.661 8.998 16.104 1.00 26.39 N ATOM 48 CA GLY A 902 -13.873 9.654 15.636 1.00 27.17 C ATOM 49 C GLY A 902 -13.589 10.869 14.770 1.00 33.10 C ATOM 50 O GLY A 902 -14.472 11.335 14.039 1.00 34.75 O ATOM 51 H GLY A 902 -12.181 8.341 15.456 1.00 0.00 H ATOM 52 N GLN A 903 -12.348 11.386 14.822 1.00 29.53 N ATOM 53 CA GLN A 903 -11.942 12.567 14.046 1.00 29.21 C ATOM 54 C GLN A 903 -11.827 12.267 12.565 1.00 32.70 C ATOM 55 O GLN A 903 -11.331 11.199 12.185 1.00 32.07 O ATOM 56 CB GLN A 903 -10.589 13.116 14.551 1.00 29.44 C ATOM 57 CG GLN A 903 -10.387 14.598 14.274 1.00 37.65 C ATOM 58 CD GLN A 903 -9.200 15.192 14.991 1.00 40.21 C ATOM 59 OE1 GLN A 903 -8.845 14.809 16.107 1.00 31.33 O ATOM 60 NE2 GLN A 903 -8.562 16.159 14.363 1.00 35.21 N ATOM 61 HE22 GLN A 903 -8.880 16.466 13.421 1.00 0.00 H ATOM 62 HE21 GLN A 903 -7.741 16.615 14.809 1.00 0.00 H ATOM 63 H GLN A 903 -11.645 10.930 15.438 1.00 0.00 H ATOM 64 N LYS A 904 -12.237 13.238 11.734 1.00 27.07 N ATOM 65 CA LYS A 904 -12.096 13.166 10.293 1.00 26.58 C ATOM 66 C LYS A 904 -10.762 13.826 10.018 1.00 30.17 C ATOM 67 O LYS A 904 -10.481 14.911 10.534 1.00 30.85 O ATOM 68 CB LYS A 904 -13.229 13.903 9.544 1.00 30.32 C ATOM 69 CG LYS A 904 -14.658 13.468 9.913 1.00 51.58 C ATOM 70 CD LYS A 904 -14.971 12.000 9.620 1.00 60.12 C ATOM 71 CE LYS A 904 -16.441 11.696 9.772 1.00 74.93 C ATOM 72 NZ LYS A 904 -17.217 12.107 8.571 1.00 84.18 N ATOM 73 HZ1 LYS A 904 -17.108 13.131 8.423 1.00 0.00 H ATOM 74 HZ2 LYS A 904 -16.861 11.595 7.738 1.00 0.00 H ATOM 75 HZ3 LYS A 904 -18.222 11.881 8.715 1.00 0.00 H ATOM 76 H LYS A 904 -12.678 14.085 12.145 1.00 0.00 H ATOM 77 N VAL A 905 -9.905 13.122 9.298 1.00 23.12 N ATOM 78 CA VAL A 905 -8.540 13.557 8.966 1.00 22.61 C ATOM 79 C VAL A 905 -8.253 13.223 7.494 1.00 26.27 C ATOM 80 O VAL A 905 -9.101 12.668 6.797 1.00 25.58 O ATOM 81 CB VAL A 905 -7.491 12.878 9.906 1.00 26.15 C ATOM 82 CG1 VAL A 905 -7.659 13.302 11.378 1.00 25.98 C ATOM 83 CG2 VAL A 905 -7.502 11.346 9.763 1.00 24.97 C ATOM 84 H VAL A 905 -10.218 12.196 8.942 1.00 0.00 H ATOM 85 N ILE A 906 -7.026 13.490 7.053 1.00 25.21 N ATOM 86 CA ILE A 906 -6.547 13.155 5.718 1.00 25.90 C ATOM 87 C ILE A 906 -5.404 12.198 5.989 1.00 26.66 C ATOM 88 O ILE A 906 -4.581 12.486 6.864 1.00 25.78 O ATOM 89 CB ILE A 906 -6.083 14.433 4.934 1.00 30.67 C ATOM 90 CG1 ILE A 906 -7.297 15.300 4.497 1.00 33.17 C ATOM 91 CG2 ILE A 906 -5.230 14.071 3.713 1.00 31.32 C ATOM 92 CD1 ILE A 906 -7.775 16.369 5.558 1.00 47.73 C ATOM 93 H ILE A 906 -6.368 13.967 7.702 1.00 0.00 H ATOM 94 N SER A 907 -5.370 11.039 5.307 1.00 22.82 N ATOM 95 CA SER A 907 -4.265 10.090 5.520 1.00 22.77 C ATOM 96 C SER A 907 -3.947 9.256 4.266 1.00 27.72 C ATOM 97 O SER A 907 -4.690 9.308 3.286 1.00 24.90 O ATOM 98 CB SER A 907 -4.525 9.220 6.755 1.00 26.07 C ATOM 99 OG SER A 907 -3.440 8.343 7.035 1.00 33.78 O ATOM 100 HG SER A 907 -2.622 8.875 7.200 1.00 0.00 H ATOM 101 H SER A 907 -6.125 10.813 4.629 1.00 0.00 H ATOM 102 N LYS A 908 -2.825 8.514 4.289 1.00 28.13 N ATOM 103 CA LYS A 908 -2.353 7.692 3.167 1.00 28.89 C ATOM 104 C LYS A 908 -3.142 6.397 2.996 1.00 33.76 C ATOM 105 O LYS A 908 -3.218 5.603 3.918 1.00 33.62 O ATOM 106 CB LYS A 908 -0.848 7.405 3.317 1.00 32.32 C ATOM 107 CG LYS A 908 -0.067 7.487 2.013 1.00 52.89 C ATOM 108 CD LYS A 908 1.428 7.322 2.250 1.00 62.52 C ATOM 109 CE LYS A 908 2.219 7.413 0.970 1.00 78.29 C ATOM 110 NZ LYS A 908 3.665 7.135 1.193 1.00 87.54 N ATOM 111 HZ1 LYS A 908 4.050 7.828 1.866 1.00 0.00 H ATOM 112 HZ2 LYS A 908 3.777 6.176 1.579 1.00 0.00 H ATOM 113 HZ3 LYS A 908 4.174 7.207 0.289 1.00 0.00 H ATOM 114 H LYS A 908 -2.254 8.523 5.158 1.00 0.00 H ATOM 115 N HIS A 909 -3.741 6.196 1.808 1.00 31.71 N ATOM 116 CA HIS A 909 -4.531 5.008 1.449 1.00 32.44 C ATOM 117 C HIS A 909 -3.562 3.910 0.975 1.00 38.45 C ATOM 118 O HIS A 909 -2.400 4.220 0.712 1.00 38.14 O ATOM 119 CB HIS A 909 -5.526 5.401 0.337 1.00 32.81 C ATOM 120 CG HIS A 909 -6.481 4.336 -0.103 1.00 35.67 C ATOM 121 ND1 HIS A 909 -6.202 3.518 -1.190 1.00 37.39 N ATOM 122 CD2 HIS A 909 -7.715 4.034 0.365 1.00 37.38 C ATOM 123 CE1 HIS A 909 -7.250 2.718 -1.313 1.00 36.98 C ATOM 124 NE2 HIS A 909 -8.192 3.000 -0.408 1.00 37.25 N ATOM 125 H HIS A 909 -3.637 6.939 1.087 1.00 0.00 H ATOM 126 N LYS A 910 -4.031 2.648 0.836 1.00 37.08 N ATOM 127 CA LYS A 910 -3.174 1.550 0.359 1.00 38.13 C ATOM 128 C LYS A 910 -2.644 1.797 -1.065 1.00 43.44 C ATOM 129 O LYS A 910 -1.605 1.244 -1.423 1.00 43.96 O ATOM 130 CB LYS A 910 -3.830 0.156 0.504 1.00 41.13 C ATOM 131 CG LYS A 910 -5.107 -0.087 -0.300 1.00 52.86 C ATOM 132 CD LYS A 910 -5.724 -1.432 0.077 1.00 57.27 C ATOM 133 CE LYS A 910 -7.133 -1.587 -0.431 1.00 65.92 C ATOM 134 NZ LYS A 910 -7.741 -2.864 0.026 1.00 77.17 N ATOM 135 HZ1 LYS A 910 -7.174 -3.662 -0.326 1.00 0.00 H ATOM 136 HZ2 LYS A 910 -7.762 -2.884 1.066 1.00 0.00 H ATOM 137 HZ3 LYS A 910 -8.711 -2.936 -0.343 1.00 0.00 H ATOM 138 H LYS A 910 -5.024 2.448 1.073 1.00 0.00 H ATOM 139 N ASN A 911 -3.309 2.690 -1.836 1.00 39.37 N ATOM 140 CA ASN A 911 -2.886 3.067 -3.185 1.00 38.46 C ATOM 141 C ASN A 911 -1.728 4.099 -3.196 1.00 40.44 C ATOM 142 O ASN A 911 -1.192 4.387 -4.264 1.00 38.80 O ATOM 143 CB ASN A 911 -4.098 3.538 -4.037 1.00 37.95 C ATOM 144 CG ASN A 911 -4.647 4.920 -3.754 1.00 51.58 C ATOM 145 OD1 ASN A 911 -4.272 5.614 -2.802 1.00 45.74 O ATOM 146 ND2 ASN A 911 -5.569 5.357 -4.593 1.00 41.75 N ATOM 147 HD22 ASN A 911 -5.873 4.760 -5.389 1.00 0.00 H ATOM 148 HD21 ASN A 911 -5.991 6.298 -4.458 1.00 0.00 H ATOM 149 H ASN A 911 -4.167 3.132 -1.448 1.00 0.00 H ATOM 150 N GLY A 912 -1.384 4.658 -2.022 1.00 37.12 N ATOM 151 CA GLY A 912 -0.311 5.643 -1.845 1.00 35.61 C ATOM 152 C GLY A 912 -0.722 7.107 -1.900 1.00 37.38 C ATOM 153 O GLY A 912 0.116 7.999 -1.724 1.00 37.69 O ATOM 154 H GLY A 912 -1.918 4.371 -1.177 1.00 0.00 H ATOM 155 N ARG A 913 -2.013 7.376 -2.138 1.00 31.26 N ATOM 156 CA ARG A 913 -2.566 8.730 -2.235 1.00 29.54 C ATOM 157 C ARG A 913 -3.168 9.130 -0.888 1.00 32.74 C ATOM 158 O ARG A 913 -3.464 8.253 -0.077 1.00 33.60 O ATOM 159 CB ARG A 913 -3.676 8.758 -3.311 1.00 28.45 C ATOM 160 CG ARG A 913 -3.221 8.361 -4.733 1.00 40.87 C ATOM 161 CD ARG A 913 -2.791 9.564 -5.579 1.00 47.43 C ATOM 162 NE ARG A 913 -3.793 10.632 -5.545 1.00 44.36 N ATOM 163 CZ ARG A 913 -4.755 10.788 -6.448 1.00 53.01 C ATOM 164 NH1 ARG A 913 -4.824 9.982 -7.498 1.00 43.66 N ATOM 165 NH2 ARG A 913 -5.637 11.765 -6.322 1.00 40.60 N ATOM 166 HE ARG A 913 -3.748 11.314 -4.761 1.00 0.00 H ATOM 167 HH12 ARG A 913 -5.579 10.108 -8.202 1.00 0.00 H ATOM 168 HH11 ARG A 913 -4.123 9.223 -7.618 1.00 0.00 H ATOM 169 HH22 ARG A 913 -6.388 11.882 -7.032 1.00 0.00 H ATOM 170 HH21 ARG A 913 -5.580 12.416 -5.513 1.00 0.00 H ATOM 171 H ARG A 913 -2.663 6.574 -2.262 1.00 0.00 H ATOM 172 N PHE A 914 -3.391 10.433 -0.672 1.00 28.21 N ATOM 173 CA PHE A 914 -3.994 10.967 0.542 1.00 29.02 C ATOM 174 C PHE A 914 -5.477 11.195 0.315 1.00 32.35 C ATOM 175 O PHE A 914 -5.867 11.822 -0.677 1.00 31.78 O ATOM 176 CB PHE A 914 -3.297 12.264 0.983 1.00 32.28 C ATOM 177 CG PHE A 914 -2.023 11.983 1.747 1.00 35.50 C ATOM 178 CD1 PHE A 914 -0.845 11.670 1.076 1.00 40.08 C ATOM 179 CD2 PHE A 914 -2.016 11.968 3.137 1.00 37.84 C ATOM 180 CE1 PHE A 914 0.325 11.373 1.785 1.00 41.45 C ATOM 181 CE2 PHE A 914 -0.849 11.680 3.842 1.00 41.62 C ATOM 182 CZ PHE A 914 0.311 11.376 3.163 1.00 40.35 C ATOM 183 H PHE A 914 -3.117 11.105 -1.417 1.00 0.00 H ATOM 184 N TYR A 915 -6.305 10.648 1.203 1.00 27.79 N ATOM 185 CA TYR A 915 -7.762 10.786 1.098 1.00 27.35 C ATOM 186 C TYR A 915 -8.350 11.141 2.412 1.00 29.67 C ATOM 187 O TYR A 915 -7.723 10.913 3.450 1.00 28.55 O ATOM 188 CB TYR A 915 -8.427 9.491 0.597 1.00 29.61 C ATOM 189 CG TYR A 915 -8.012 9.063 -0.790 1.00 33.23 C ATOM 190 CD1 TYR A 915 -8.351 9.823 -1.909 1.00 35.97 C ATOM 191 CD2 TYR A 915 -7.369 7.853 -0.999 1.00 34.79 C ATOM 192 CE1 TYR A 915 -8.003 9.411 -3.194 1.00 37.17 C ATOM 193 CE2 TYR A 915 -6.999 7.439 -2.276 1.00 36.08 C ATOM 194 CZ TYR A 915 -7.320 8.221 -3.370 1.00 43.22 C ATOM 195 OH TYR A 915 -6.950 7.791 -4.617 1.00 47.14 O ATOM 196 HH TYR A 915 -7.246 8.450 -5.294 1.00 0.00 H ATOM 197 H TYR A 915 -5.906 10.106 1.996 1.00 0.00 H ATOM 198 N GLN A 916 -9.576 11.678 2.398 1.00 24.99 N ATOM 199 CA GLN A 916 -10.259 11.964 3.651 1.00 24.52 C ATOM 200 C GLN A 916 -10.637 10.620 4.260 1.00 27.68 C ATOM 201 O GLN A 916 -10.968 9.675 3.539 1.00 28.67 O ATOM 202 CB GLN A 916 -11.507 12.841 3.466 1.00 26.47 C ATOM 203 CG GLN A 916 -12.503 12.334 2.433 1.00 44.29 C ATOM 204 CD GLN A 916 -13.605 13.320 2.146 1.00 65.21 C ATOM 205 OE1 GLN A 916 -13.698 13.872 1.041 1.00 57.65 O ATOM 206 NE2 GLN A 916 -14.489 13.525 3.120 1.00 57.50 N ATOM 207 HE22 GLN A 916 -14.376 13.043 4.034 1.00 0.00 H ATOM 208 HE21 GLN A 916 -15.292 14.168 2.966 1.00 0.00 H ATOM 209 H GLN A 916 -10.040 11.891 1.492 1.00 0.00 H ATOM 210 N CYS A 917 -10.518 10.518 5.572 1.00 22.30 N ATOM 211 CA CYS A 917 -10.821 9.279 6.253 1.00 22.71 C ATOM 212 C CYS A 917 -11.228 9.586 7.665 1.00 27.89 C ATOM 213 O CYS A 917 -11.174 10.753 8.093 1.00 28.48 O ATOM 214 CB CYS A 917 -9.622 8.333 6.202 1.00 22.65 C ATOM 215 SG CYS A 917 -8.110 9.003 6.940 1.00 25.65 S ATOM 216 H CYS A 917 -10.202 11.341 6.123 1.00 0.00 H ATOM 217 N GLU A 918 -11.657 8.550 8.386 1.00 22.12 N ATOM 218 CA GLU A 918 -12.044 8.727 9.760 1.00 22.72 C ATOM 219 C GLU A 918 -11.151 7.884 10.648 1.00 23.83 C ATOM 220 O GLU A 918 -10.908 6.720 10.330 1.00 20.80 O ATOM 221 CB GLU A 918 -13.532 8.361 9.924 1.00 24.76 C ATOM 222 CG GLU A 918 -14.098 8.575 11.322 1.00 36.16 C ATOM 223 CD GLU A 918 -15.590 8.331 11.456 1.00 58.32 C ATOM 224 OE1 GLU A 918 -16.202 8.933 12.367 1.00 61.97 O ATOM 225 OE2 GLU A 918 -16.149 7.532 10.666 1.00 50.04 O ATOM 226 H GLU A 918 -11.712 7.607 7.952 1.00 0.00 H ATOM 227 N VAL A 919 -10.669 8.462 11.762 1.00 20.76 N ATOM 228 CA VAL A 919 -9.884 7.727 12.762 1.00 19.83 C ATOM 229 C VAL A 919 -10.870 6.788 13.491 1.00 24.15 C ATOM 230 O VAL A 919 -11.760 7.252 14.207 1.00 25.89 O ATOM 231 CB VAL A 919 -9.123 8.664 13.749 1.00 23.67 C ATOM 232 CG1 VAL A 919 -8.395 7.857 14.833 1.00 21.71 C ATOM 233 CG2 VAL A 919 -8.146 9.578 13.005 1.00 23.96 C ATOM 234 H VAL A 919 -10.860 9.472 11.922 1.00 0.00 H ATOM 235 N VAL A 920 -10.722 5.483 13.312 1.00 17.39 N ATOM 236 CA VAL A 920 -11.674 4.578 13.951 1.00 17.38 C ATOM 237 C VAL A 920 -11.169 4.064 15.299 1.00 19.15 C ATOM 238 O VAL A 920 -11.987 3.708 16.149 1.00 19.16 O ATOM 239 CB VAL A 920 -12.190 3.459 13.028 1.00 22.49 C ATOM 240 CG1 VAL A 920 -13.083 4.049 11.935 1.00 23.43 C ATOM 241 CG2 VAL A 920 -11.045 2.650 12.424 1.00 21.84 C ATOM 242 H VAL A 920 -9.945 5.111 12.729 1.00 0.00 H ATOM 243 N ARG A 921 -9.859 4.116 15.559 1.00 15.22 N ATOM 244 CA ARG A 921 -9.354 3.743 16.877 1.00 15.73 C ATOM 245 C ARG A 921 -7.919 4.157 17.106 1.00 18.12 C ATOM 246 O ARG A 921 -7.145 4.250 16.144 1.00 15.60 O ATOM 247 CB ARG A 921 -9.558 2.247 17.198 1.00 21.50 C ATOM 248 CG ARG A 921 -8.532 1.315 16.685 1.00 27.33 C ATOM 249 CD ARG A 921 -8.638 0.002 17.422 1.00 33.89 C ATOM 250 NE ARG A 921 -7.640 -0.921 16.897 1.00 40.65 N ATOM 251 CZ ARG A 921 -6.860 -1.677 17.647 1.00 54.87 C ATOM 252 NH1 ARG A 921 -6.943 -1.619 18.971 1.00 30.75 N ATOM 253 NH2 ARG A 921 -5.970 -2.481 17.083 1.00 54.91 N ATOM 254 HE ARG A 921 -7.536 -0.988 15.864 1.00 0.00 H ATOM 255 HH12 ARG A 921 -6.326 -2.217 19.557 1.00 0.00 H ATOM 256 HH11 ARG A 921 -7.625 -0.976 19.422 1.00 0.00 H ATOM 257 HH22 ARG A 921 -5.357 -3.076 17.676 1.00 0.00 H ATOM 258 HH21 ARG A 921 -5.885 -2.517 16.047 1.00 0.00 H ATOM 259 H ARG A 921 -9.196 4.424 14.819 1.00 0.00 H ATOM 260 N LEU A 922 -7.571 4.428 18.382 1.00 16.25 N ATOM 261 CA LEU A 922 -6.179 4.692 18.746 1.00 18.37 C ATOM 262 C LEU A 922 -5.609 3.350 19.136 1.00 22.21 C ATOM 263 O LEU A 922 -6.275 2.573 19.816 1.00 21.64 O ATOM 264 CB LEU A 922 -5.995 5.697 19.887 1.00 20.00 C ATOM 265 CG LEU A 922 -6.722 7.051 19.831 1.00 27.80 C ATOM 266 CD1 LEU A 922 -6.252 7.956 20.990 1.00 29.20 C ATOM 267 CD2 LEU A 922 -6.530 7.769 18.494 1.00 31.00 C ATOM 268 H LEU A 922 -8.305 4.449 19.119 1.00 0.00 H ATOM 269 N THR A 923 -4.439 3.010 18.602 1.00 17.92 N ATOM 270 CA THR A 923 -3.909 1.676 18.812 1.00 18.77 C ATOM 271 C THR A 923 -2.401 1.708 19.078 1.00 22.50 C ATOM 272 O THR A 923 -1.696 2.477 18.456 1.00 24.33 O ATOM 273 CB THR A 923 -4.262 0.802 17.569 1.00 25.13 C ATOM 274 OG1 THR A 923 -3.875 -0.534 17.834 1.00 30.33 O ATOM 275 CG2 THR A 923 -3.599 1.308 16.256 1.00 20.50 C ATOM 276 HG1 THR A 923 -4.093 -1.101 17.052 1.00 0.00 H ATOM 277 H THR A 923 -3.905 3.699 18.035 1.00 0.00 H ATOM 278 N THR A 924 -1.922 0.872 19.974 1.00 17.99 N ATOM 279 CA THR A 924 -0.481 0.772 20.237 1.00 18.53 C ATOM 280 C THR A 924 -0.020 -0.441 19.437 1.00 22.57 C ATOM 281 O THR A 924 -0.566 -1.535 19.623 1.00 22.80 O ATOM 282 CB THR A 924 -0.195 0.609 21.740 1.00 29.89 C ATOM 283 OG1 THR A 924 -0.882 1.640 22.450 1.00 34.55 O ATOM 284 CG2 THR A 924 1.313 0.687 22.067 1.00 26.28 C ATOM 285 HG1 THR A 924 -0.705 1.545 23.420 1.00 0.00 H ATOM 286 H THR A 924 -2.579 0.268 20.508 1.00 0.00 H ATOM 287 N GLU A 925 0.906 -0.231 18.490 1.00 16.48 N ATOM 288 CA GLU A 925 1.445 -1.296 17.639 1.00 17.04 C ATOM 289 C GLU A 925 2.891 -1.549 18.040 1.00 21.09 C ATOM 290 O GLU A 925 3.622 -0.595 18.284 1.00 21.89 O ATOM 291 CB GLU A 925 1.361 -0.893 16.159 1.00 18.38 C ATOM 292 CG GLU A 925 -0.065 -0.708 15.636 1.00 27.68 C ATOM 293 CD GLU A 925 -0.971 -1.925 15.618 1.00 41.02 C ATOM 294 OE1 GLU A 925 -0.479 -3.032 15.309 1.00 39.51 O ATOM 295 OE2 GLU A 925 -2.188 -1.763 15.864 1.00 39.09 O ATOM 296 H GLU A 925 1.260 0.737 18.352 1.00 0.00 H ATOM 297 N THR A 926 3.310 -2.811 18.105 1.00 17.42 N ATOM 298 CA THR A 926 4.670 -3.127 18.543 1.00 16.20 C ATOM 299 C THR A 926 5.535 -3.478 17.358 1.00 19.35 C ATOM 300 O THR A 926 5.184 -4.373 16.581 1.00 18.75 O ATOM 301 CB THR A 926 4.640 -4.275 19.580 1.00 24.90 C ATOM 302 OG1 THR A 926 3.863 -3.863 20.702 1.00 27.76 O ATOM 303 CG2 THR A 926 6.045 -4.679 20.057 1.00 20.60 C ATOM 304 HG1 THR A 926 2.942 -3.655 20.405 1.00 0.00 H ATOM 305 H THR A 926 2.663 -3.581 17.841 1.00 0.00 H ATOM 306 N PHE A 927 6.687 -2.823 17.262 1.00 13.74 N ATOM 307 CA PHE A 927 7.697 -3.142 16.271 1.00 13.73 C ATOM 308 C PHE A 927 8.854 -3.773 17.020 1.00 19.07 C ATOM 309 O PHE A 927 9.066 -3.463 18.201 1.00 18.99 O ATOM 310 CB PHE A 927 8.163 -1.880 15.527 1.00 16.04 C ATOM 311 CG PHE A 927 7.029 -1.295 14.713 1.00 19.32 C ATOM 312 CD1 PHE A 927 6.138 -0.394 15.284 1.00 21.48 C ATOM 313 CD2 PHE A 927 6.795 -1.726 13.409 1.00 22.22 C ATOM 314 CE1 PHE A 927 5.049 0.101 14.560 1.00 23.55 C ATOM 315 CE2 PHE A 927 5.706 -1.221 12.675 1.00 26.11 C ATOM 316 CZ PHE A 927 4.844 -0.313 13.259 1.00 24.15 C ATOM 317 H PHE A 927 6.873 -2.046 17.928 1.00 0.00 H ATOM 318 N TYR A 928 9.599 -4.653 16.333 1.00 14.14 N ATOM 319 CA TYR A 928 10.727 -5.345 16.933 1.00 12.26 C ATOM 320 C TYR A 928 12.001 -4.855 16.339 1.00 15.97 C ATOM 321 O TYR A 928 12.080 -4.556 15.143 1.00 17.94 O ATOM 322 CB TYR A 928 10.639 -6.883 16.686 1.00 12.75 C ATOM 323 CG TYR A 928 9.642 -7.640 17.545 1.00 14.77 C ATOM 324 CD1 TYR A 928 8.917 -6.992 18.552 1.00 15.99 C ATOM 325 CD2 TYR A 928 9.445 -9.008 17.374 1.00 15.88 C ATOM 326 CE1 TYR A 928 8.003 -7.682 19.348 1.00 15.39 C ATOM 327 CE2 TYR A 928 8.528 -9.713 18.165 1.00 17.12 C ATOM 328 CZ TYR A 928 7.809 -9.042 19.144 1.00 19.72 C ATOM 329 OH TYR A 928 6.906 -9.707 19.913 1.00 19.79 O ATOM 330 HH TYR A 928 6.491 -9.076 20.553 1.00 0.00 H ATOM 331 H TYR A 928 9.361 -4.846 15.339 1.00 0.00 H ATOM 332 N GLU A 929 13.014 -4.808 17.196 1.00 13.43 N ATOM 333 CA GLU A 929 14.378 -4.441 16.841 1.00 12.83 C ATOM 334 C GLU A 929 15.261 -5.682 16.980 1.00 15.77 C ATOM 335 O GLU A 929 15.232 -6.359 18.017 1.00 13.29 O ATOM 336 CB GLU A 929 14.904 -3.331 17.733 1.00 12.31 C ATOM 337 CG GLU A 929 16.251 -2.824 17.211 1.00 19.63 C ATOM 338 CD GLU A 929 16.702 -1.488 17.758 1.00 36.48 C ATOM 339 OE1 GLU A 929 16.020 -0.945 18.653 1.00 28.62 O ATOM 340 OE2 GLU A 929 17.753 -0.990 17.302 1.00 33.31 O ATOM 341 H GLU A 929 12.820 -5.050 18.189 1.00 0.00 H ATOM 342 N VAL A 930 16.012 -5.992 15.916 1.00 11.48 N ATOM 343 CA VAL A 930 16.927 -7.144 15.887 1.00 12.37 C ATOM 344 C VAL A 930 18.296 -6.702 15.334 1.00 15.80 C ATOM 345 O VAL A 930 18.391 -5.689 14.632 1.00 15.88 O ATOM 346 CB VAL A 930 16.392 -8.402 15.092 1.00 14.69 C ATOM 347 CG1 VAL A 930 15.007 -8.852 15.593 1.00 12.87 C ATOM 348 CG2 VAL A 930 16.369 -8.130 13.581 1.00 14.67 C ATOM 349 H VAL A 930 15.946 -5.390 15.070 1.00 0.00 H ATOM 350 N ASN A 931 19.318 -7.497 15.635 1.00 14.07 N ATOM 351 CA ASN A 931 20.681 -7.323 15.194 1.00 14.62 C ATOM 352 C ASN A 931 20.982 -8.495 14.274 1.00 18.90 C ATOM 353 O ASN A 931 21.043 -9.633 14.729 1.00 16.10 O ATOM 354 CB ASN A 931 21.609 -7.372 16.420 1.00 17.78 C ATOM 355 CG ASN A 931 23.049 -7.033 16.157 1.00 39.70 C ATOM 356 OD1 ASN A 931 23.435 -6.568 15.076 1.00 32.51 O ATOM 357 ND2 ASN A 931 23.854 -7.151 17.196 1.00 33.52 N ATOM 358 HD22 ASN A 931 23.496 -7.546 18.089 1.00 0.00 H ATOM 359 HD21 ASN A 931 24.846 -6.849 17.122 1.00 0.00 H ATOM 360 H ASN A 931 19.117 -8.317 16.242 1.00 0.00 H ATOM 361 N PHE A 932 21.150 -8.233 12.998 1.00 17.36 N ATOM 362 CA PHE A 932 21.479 -9.284 12.062 1.00 18.06 C ATOM 363 C PHE A 932 22.917 -9.767 12.225 1.00 25.84 C ATOM 364 O PHE A 932 23.753 -9.062 12.787 1.00 24.63 O ATOM 365 CB PHE A 932 21.152 -8.867 10.623 1.00 19.02 C ATOM 366 CG PHE A 932 19.670 -8.711 10.396 1.00 19.49 C ATOM 367 CD1 PHE A 932 18.856 -9.825 10.209 1.00 21.27 C ATOM 368 CD2 PHE A 932 19.080 -7.451 10.393 1.00 19.77 C ATOM 369 CE1 PHE A 932 17.483 -9.678 9.992 1.00 22.20 C ATOM 370 CE2 PHE A 932 17.708 -7.301 10.170 1.00 22.42 C ATOM 371 CZ PHE A 932 16.916 -8.413 9.965 1.00 20.99 C ATOM 372 H PHE A 932 21.045 -7.256 12.657 1.00 0.00 H ATOM 373 N ASP A 933 23.184 -11.007 11.783 1.00 25.90 N ATOM 374 CA ASP A 933 24.496 -11.653 11.862 1.00 27.15 C ATOM 375 C ASP A 933 25.606 -10.860 11.145 1.00 30.39 C ATOM 376 O ASP A 933 26.765 -11.015 11.506 1.00 30.94 O ATOM 377 CB ASP A 933 24.411 -13.131 11.379 1.00 29.36 C ATOM 378 CG ASP A 933 23.471 -14.023 12.194 1.00 40.27 C ATOM 379 OD1 ASP A 933 23.159 -13.667 13.353 1.00 40.34 O ATOM 380 OD2 ASP A 933 23.052 -15.082 11.673 1.00 48.31 O ATOM 381 H ASP A 933 22.405 -11.546 11.355 1.00 0.00 H ATOM 382 N ASP A 934 25.254 -9.919 10.235 1.00 26.21 N ATOM 383 CA ASP A 934 26.243 -9.058 9.568 1.00 25.94 C ATOM 384 C ASP A 934 26.573 -7.777 10.374 1.00 28.22 C ATOM 385 O ASP A 934 27.363 -6.957 9.918 1.00 28.01 O ATOM 386 CB ASP A 934 25.792 -8.727 8.128 1.00 27.36 C ATOM 387 CG ASP A 934 24.623 -7.750 8.019 1.00 30.07 C ATOM 388 OD1 ASP A 934 23.902 -7.568 9.018 1.00 25.57 O ATOM 389 OD2 ASP A 934 24.437 -7.170 6.932 1.00 34.32 O ATOM 390 H ASP A 934 24.248 -9.801 10.000 1.00 0.00 H ATOM 391 N GLY A 935 25.952 -7.624 11.554 1.00 22.38 N ATOM 392 CA GLY A 935 26.122 -6.461 12.425 1.00 20.07 C ATOM 393 C GLY A 935 25.119 -5.336 12.177 1.00 21.64 C ATOM 394 O GLY A 935 25.075 -4.361 12.942 1.00 21.71 O ATOM 395 H GLY A 935 25.310 -8.379 11.869 1.00 0.00 H ATOM 396 N SER A 936 24.306 -5.451 11.119 1.00 16.96 N ATOM 397 CA SER A 936 23.292 -4.444 10.826 1.00 16.84 C ATOM 398 C SER A 936 22.063 -4.604 11.744 1.00 21.48 C ATOM 399 O SER A 936 21.870 -5.659 12.340 1.00 20.00 O ATOM 400 CB SER A 936 22.899 -4.437 9.354 1.00 17.40 C ATOM 401 OG SER A 936 22.154 -5.583 8.984 1.00 24.27 O ATOM 402 HG SER A 936 22.695 -6.395 9.151 1.00 0.00 H ATOM 403 H SER A 936 24.400 -6.276 10.493 1.00 0.00 H ATOM 404 N PHE A 937 21.297 -3.532 11.914 1.00 17.50 N ATOM 405 CA PHE A 937 20.114 -3.509 12.776 1.00 16.62 C ATOM 406 C PHE A 937 18.892 -3.073 12.007 1.00 19.98 C ATOM 407 O PHE A 937 18.996 -2.299 11.061 1.00 19.24 O ATOM 408 CB PHE A 937 20.308 -2.511 13.935 1.00 17.37 C ATOM 409 CG PHE A 937 21.252 -2.916 15.033 1.00 19.92 C ATOM 410 CD1 PHE A 937 22.628 -2.956 14.811 1.00 22.69 C ATOM 411 CD2 PHE A 937 20.788 -3.131 16.322 1.00 21.37 C ATOM 412 CE1 PHE A 937 23.507 -3.314 15.834 1.00 24.62 C ATOM 413 CE2 PHE A 937 21.668 -3.486 17.348 1.00 24.62 C ATOM 414 CZ PHE A 937 23.019 -3.586 17.099 1.00 23.03 C ATOM 415 H PHE A 937 21.552 -2.661 11.407 1.00 0.00 H ATOM 416 N SER A 938 17.722 -3.504 12.463 1.00 17.64 N ATOM 417 CA SER A 938 16.453 -3.046 11.914 1.00 18.58 C ATOM 418 C SER A 938 15.497 -2.928 13.069 1.00 20.21 C ATOM 419 O SER A 938 15.395 -3.849 13.873 1.00 18.51 O ATOM 420 CB SER A 938 15.901 -3.999 10.862 1.00 24.45 C ATOM 421 OG SER A 938 14.558 -3.613 10.600 1.00 33.15 O ATOM 422 HG SER A 938 14.543 -2.681 10.266 1.00 0.00 H ATOM 423 H SER A 938 17.711 -4.194 13.241 1.00 0.00 H ATOM 424 N ASP A 939 14.806 -1.809 13.164 1.00 18.52 N ATOM 425 CA ASP A 939 13.864 -1.579 14.265 1.00 18.99 C ATOM 426 C ASP A 939 12.401 -1.496 13.771 1.00 21.64 C ATOM 427 O ASP A 939 11.532 -0.949 14.462 1.00 22.18 O ATOM 428 CB ASP A 939 14.288 -0.299 15.008 1.00 21.42 C ATOM 429 CG ASP A 939 14.221 0.948 14.136 1.00 26.39 C ATOM 430 OD1 ASP A 939 13.791 0.836 12.961 1.00 22.69 O ATOM 431 OD2 ASP A 939 14.521 2.032 14.642 1.00 25.04 O ATOM 432 H ASP A 939 14.932 -1.072 12.441 1.00 0.00 H ATOM 433 N ASN A 940 12.148 -1.967 12.552 1.00 18.59 N ATOM 434 CA ASN A 940 10.812 -1.865 11.957 1.00 20.30 C ATOM 435 C ASN A 940 10.175 -3.216 11.630 1.00 22.64 C ATOM 436 O ASN A 940 9.234 -3.269 10.840 1.00 22.66 O ATOM 437 CB ASN A 940 10.817 -0.930 10.728 1.00 28.20 C ATOM 438 CG ASN A 940 11.979 -1.120 9.798 1.00 67.01 C ATOM 439 OD1 ASN A 940 12.459 -2.240 9.572 1.00 62.48 O ATOM 440 ND2 ASN A 940 12.471 -0.013 9.251 1.00 63.01 N ATOM 441 HD22 ASN A 940 12.040 0.909 9.466 1.00 0.00 H ATOM 442 HD21 ASN A 940 13.287 -0.069 8.608 1.00 0.00 H ATOM 443 H ASN A 940 12.914 -2.417 12.011 1.00 0.00 H ATOM 444 N LEU A 941 10.626 -4.294 12.306 1.00 18.21 N ATOM 445 CA LEU A 941 10.059 -5.614 12.091 1.00 18.64 C ATOM 446 C LEU A 941 8.686 -5.745 12.732 1.00 19.07 C ATOM 447 O LEU A 941 8.487 -5.286 13.851 1.00 16.99 O ATOM 448 CB LEU A 941 10.950 -6.660 12.744 1.00 20.11 C ATOM 449 CG LEU A 941 12.167 -7.174 12.021 1.00 25.87 C ATOM 450 CD1 LEU A 941 12.645 -8.385 12.753 1.00 27.07 C ATOM 451 CD2 LEU A 941 11.819 -7.629 10.574 1.00 27.94 C ATOM 452 H LEU A 941 11.396 -4.177 12.995 1.00 0.00 H ATOM 453 N TYR A 942 7.774 -6.451 12.072 1.00 16.98 N ATOM 454 CA TYR A 942 6.510 -6.802 12.695 1.00 17.47 C ATOM 455 C TYR A 942 6.763 -8.068 13.548 1.00 17.23 C ATOM 456 O TYR A 942 7.519 -8.934 13.114 1.00 17.03 O ATOM 457 CB TYR A 942 5.446 -7.125 11.638 1.00 21.54 C ATOM 458 CG TYR A 942 5.103 -5.990 10.696 1.00 29.00 C ATOM 459 CD1 TYR A 942 4.571 -4.797 11.176 1.00 32.93 C ATOM 460 CD2 TYR A 942 5.186 -6.157 9.319 1.00 31.50 C ATOM 461 CE1 TYR A 942 4.192 -3.771 10.309 1.00 37.28 C ATOM 462 CE2 TYR A 942 4.805 -5.141 8.442 1.00 33.53 C ATOM 463 CZ TYR A 942 4.324 -3.943 8.942 1.00 44.62 C ATOM 464 OH TYR A 942 3.952 -2.939 8.080 1.00 47.33 O ATOM 465 HH TYR A 942 3.634 -2.159 8.601 1.00 0.00 H ATOM 466 H TYR A 942 7.968 -6.756 11.097 1.00 0.00 H ATOM 467 N PRO A 943 6.010 -8.296 14.644 1.00 14.03 N ATOM 468 CA PRO A 943 6.174 -9.553 15.421 1.00 14.27 C ATOM 469 C PRO A 943 6.014 -10.854 14.602 1.00 17.84 C ATOM 470 O PRO A 943 6.788 -11.797 14.821 1.00 18.26 O ATOM 471 CB PRO A 943 5.125 -9.407 16.528 1.00 15.97 C ATOM 472 CG PRO A 943 5.086 -7.852 16.749 1.00 20.55 C ATOM 473 CD PRO A 943 5.044 -7.382 15.316 1.00 16.86 C ATOM 474 N GLU A 944 5.106 -10.855 13.585 1.00 15.77 N ATOM 475 CA GLU A 944 4.897 -11.972 12.635 1.00 17.00 C ATOM 476 C GLU A 944 6.144 -12.255 11.768 1.00 21.19 C ATOM 477 O GLU A 944 6.249 -13.363 11.224 1.00 22.86 O ATOM 478 CB GLU A 944 3.697 -11.697 11.704 1.00 18.07 C ATOM 479 CG GLU A 944 2.441 -11.328 12.462 1.00 31.60 C ATOM 480 CD GLU A 944 2.190 -9.834 12.459 1.00 54.54 C ATOM 481 OE1 GLU A 944 2.870 -9.114 13.226 1.00 27.01 O ATOM 482 OE2 GLU A 944 1.358 -9.378 11.643 1.00 56.75 O ATOM 483 H GLU A 944 4.515 -10.007 13.467 1.00 0.00 H ATOM 484 N ASP A 945 7.046 -11.253 11.566 1.00 16.24 N ATOM 485 CA ASP A 945 8.300 -11.465 10.800 1.00 14.56 C ATOM 486 C ASP A 945 9.291 -12.405 11.525 1.00 17.52 C ATOM 487 O ASP A 945 10.227 -12.890 10.897 1.00 17.35 O ATOM 488 CB ASP A 945 8.989 -10.148 10.396 1.00 15.42 C ATOM 489 CG ASP A 945 8.149 -9.197 9.542 1.00 30.27 C ATOM 490 OD1 ASP A 945 7.296 -9.687 8.771 1.00 28.37 O ATOM 491 OD2 ASP A 945 8.359 -7.954 9.644 1.00 31.36 O ATOM 492 H ASP A 945 6.850 -10.311 11.961 1.00 0.00 H ATOM 493 N ILE A 946 9.099 -12.650 12.837 1.00 15.28 N ATOM 494 CA ILE A 946 9.885 -13.645 13.587 1.00 15.34 C ATOM 495 C ILE A 946 9.252 -14.994 13.248 1.00 20.88 C ATOM 496 O ILE A 946 8.118 -15.271 13.668 1.00 22.34 O ATOM 497 CB ILE A 946 9.920 -13.408 15.122 1.00 18.90 C ATOM 498 CG1 ILE A 946 10.431 -11.980 15.477 1.00 19.26 C ATOM 499 CG2 ILE A 946 10.762 -14.511 15.824 1.00 19.59 C ATOM 500 CD1 ILE A 946 11.856 -11.653 15.125 1.00 22.91 C ATOM 501 H ILE A 946 8.364 -12.113 13.341 1.00 0.00 H ATOM 502 N VAL A 947 9.936 -15.793 12.435 1.00 17.48 N ATOM 503 CA VAL A 947 9.349 -17.060 11.968 1.00 18.68 C ATOM 504 C VAL A 947 9.773 -18.242 12.814 1.00 24.92 C ATOM 505 O VAL A 947 9.210 -19.323 12.638 1.00 26.67 O ATOM 506 CB VAL A 947 9.591 -17.303 10.444 1.00 22.99 C ATOM 507 CG1 VAL A 947 8.862 -16.254 9.619 1.00 22.97 C ATOM 508 CG2 VAL A 947 11.091 -17.304 10.109 1.00 22.78 C ATOM 509 H VAL A 947 10.892 -15.522 12.127 1.00 0.00 H ATOM 510 N SER A 948 10.750 -18.053 13.723 1.00 19.46 N ATOM 511 CA SER A 948 11.221 -19.138 14.603 1.00 18.31 C ATOM 512 C SER A 948 10.356 -19.323 15.867 1.00 23.07 C ATOM 513 O SER A 948 10.611 -20.242 16.634 1.00 24.19 O ATOM 514 CB SER A 948 12.686 -18.935 14.976 1.00 18.23 C ATOM 515 OG SER A 948 12.842 -17.652 15.549 1.00 19.12 O ATOM 516 HG SER A 948 13.791 -17.514 15.793 1.00 0.00 H ATOM 517 H SER A 948 11.185 -17.112 13.806 1.00 0.00 H ATOM 518 N GLN A 949 9.371 -18.436 16.098 1.00 20.40 N ATOM 519 CA GLN A 949 8.451 -18.521 17.234 1.00 21.50 C ATOM 520 C GLN A 949 7.147 -17.805 16.970 1.00 23.95 C ATOM 521 O GLN A 949 7.018 -17.106 15.969 1.00 24.05 O ATOM 522 CB GLN A 949 9.089 -18.083 18.572 1.00 23.82 C ATOM 523 CG GLN A 949 9.752 -16.730 18.608 1.00 33.22 C ATOM 524 CD GLN A 949 10.418 -16.492 19.945 1.00 46.91 C ATOM 525 OE1 GLN A 949 9.843 -15.893 20.853 1.00 47.13 O ATOM 526 NE2 GLN A 949 11.649 -16.948 20.097 1.00 29.92 N ATOM 527 HE22 GLN A 949 12.117 -17.452 19.317 1.00 0.00 H ATOM 528 HE21 GLN A 949 12.150 -16.803 20.997 1.00 0.00 H ATOM 529 H GLN A 949 9.257 -17.645 15.432 1.00 0.00 H ATOM 530 N ASP A 950 6.161 -17.995 17.859 1.00 19.51 N ATOM 531 CA ASP A 950 4.880 -17.328 17.732 1.00 18.77 C ATOM 532 C ASP A 950 4.837 -16.152 18.721 1.00 20.91 C ATOM 533 O ASP A 950 4.273 -16.259 19.816 1.00 18.95 O ATOM 534 CB ASP A 950 3.727 -18.320 17.976 1.00 20.62 C ATOM 535 CG ASP A 950 2.346 -17.782 17.622 1.00 26.49 C ATOM 536 OD1 ASP A 950 2.220 -16.550 17.386 1.00 26.52 O ATOM 537 OD2 ASP A 950 1.379 -18.580 17.620 1.00 27.96 O ATOM 538 H ASP A 950 6.320 -18.638 18.661 1.00 0.00 H ATOM 539 N CYS A 951 5.408 -15.015 18.322 1.00 17.51 N ATOM 540 CA CYS A 951 5.438 -13.841 19.202 1.00 16.31 C ATOM 541 C CYS A 951 4.057 -13.252 19.496 1.00 18.03 C ATOM 542 O CYS A 951 3.834 -12.753 20.594 1.00 18.01 O ATOM 543 CB CYS A 951 6.396 -12.796 18.658 1.00 16.45 C ATOM 544 SG CYS A 951 8.087 -13.400 18.526 1.00 20.44 S ATOM 545 H CYS A 951 5.837 -14.960 17.376 1.00 0.00 H ATOM 546 N LEU A 952 3.125 -13.360 18.575 1.00 17.50 N ATOM 547 CA LEU A 952 1.763 -12.863 18.848 1.00 19.51 C ATOM 548 C LEU A 952 1.088 -13.627 20.003 1.00 20.68 C ATOM 549 O LEU A 952 0.422 -13.032 20.842 1.00 19.86 O ATOM 550 CB LEU A 952 0.882 -12.911 17.584 1.00 20.31 C ATOM 551 CG LEU A 952 1.209 -11.885 16.473 1.00 27.01 C ATOM 552 CD1 LEU A 952 0.167 -11.973 15.347 1.00 29.10 C ATOM 553 CD2 LEU A 952 1.219 -10.443 17.008 1.00 30.61 C ATOM 554 H LEU A 952 3.347 -13.795 17.657 1.00 0.00 H ATOM 555 N GLN A 953 1.317 -14.928 20.067 1.00 16.44 N ATOM 556 CA GLN A 953 0.772 -15.759 21.120 1.00 16.20 C ATOM 557 C GLN A 953 1.642 -15.701 22.394 1.00 16.15 C ATOM 558 O GLN A 953 1.106 -15.608 23.496 1.00 15.60 O ATOM 559 CB GLN A 953 0.698 -17.228 20.628 1.00 18.38 C ATOM 560 CG GLN A 953 0.123 -18.156 21.683 1.00 23.61 C ATOM 561 CD GLN A 953 -0.085 -19.561 21.197 1.00 37.02 C ATOM 562 OE1 GLN A 953 0.107 -19.912 20.024 1.00 33.11 O ATOM 563 NE2 GLN A 953 -0.485 -20.392 22.104 1.00 23.69 N ATOM 564 HE22 GLN A 953 -0.636 -20.064 23.079 1.00 0.00 H ATOM 565 HE21 GLN A 953 -0.655 -21.388 21.858 1.00 0.00 H ATOM 566 H GLN A 953 1.909 -15.370 19.335 1.00 0.00 H ATOM 567 N PHE A 954 2.965 -15.825 22.254 1.00 15.52 N ATOM 568 CA PHE A 954 3.862 -15.934 23.416 1.00 16.39 C ATOM 569 C PHE A 954 4.652 -14.720 23.793 1.00 21.34 C ATOM 570 O PHE A 954 5.350 -14.760 24.798 1.00 20.87 O ATOM 571 CB PHE A 954 4.827 -17.106 23.233 1.00 19.76 C ATOM 572 CG PHE A 954 4.149 -18.450 23.268 1.00 22.51 C ATOM 573 CD1 PHE A 954 3.803 -19.039 24.475 1.00 26.86 C ATOM 574 CD2 PHE A 954 3.843 -19.124 22.089 1.00 24.13 C ATOM 575 CE1 PHE A 954 3.177 -20.290 24.506 1.00 27.99 C ATOM 576 CE2 PHE A 954 3.221 -20.370 22.122 1.00 27.36 C ATOM 577 CZ PHE A 954 2.889 -20.944 23.331 1.00 25.52 C ATOM 578 H PHE A 954 3.372 -15.845 21.297 1.00 0.00 H ATOM 579 N GLY A 955 4.545 -13.636 23.052 1.00 16.80 N ATOM 580 CA GLY A 955 5.257 -12.427 23.433 1.00 17.24 C ATOM 581 C GLY A 955 6.622 -12.328 22.793 1.00 19.39 C ATOM 582 O GLY A 955 7.022 -13.211 22.033 1.00 16.39 O ATOM 583 H GLY A 955 3.953 -13.645 22.197 1.00 0.00 H ATOM 584 N PRO A 956 7.362 -11.246 23.064 1.00 17.24 N ATOM 585 CA PRO A 956 8.642 -11.072 22.359 1.00 16.31 C ATOM 586 C PRO A 956 9.705 -12.094 22.749 1.00 19.34 C ATOM 587 O PRO A 956 9.645 -12.655 23.839 1.00 17.86 O ATOM 588 CB PRO A 956 9.066 -9.636 22.730 1.00 19.11 C ATOM 589 CG PRO A 956 8.374 -9.364 24.055 1.00 22.85 C ATOM 590 CD PRO A 956 7.046 -10.090 23.932 1.00 19.00 C ATOM 591 N PRO A 957 10.715 -12.339 21.908 1.00 15.93 N ATOM 592 CA PRO A 957 11.824 -13.195 22.353 1.00 15.11 C ATOM 593 C PRO A 957 12.549 -12.534 23.533 1.00 20.07 C ATOM 594 O PRO A 957 12.320 -11.346 23.829 1.00 17.93 O ATOM 595 CB PRO A 957 12.749 -13.238 21.118 1.00 17.30 C ATOM 596 CG PRO A 957 11.877 -12.791 19.949 1.00 21.85 C ATOM 597 CD PRO A 957 10.967 -11.781 20.561 1.00 18.02 C ATOM 598 N ALA A 958 13.436 -13.282 24.207 1.00 18.94 N ATOM 599 CA ALA A 958 14.222 -12.692 25.284 1.00 18.60 C ATOM 600 C ALA A 958 15.305 -11.790 24.629 1.00 21.72 C ATOM 601 O ALA A 958 15.685 -12.014 23.473 1.00 18.82 O ATOM 602 CB ALA A 958 14.902 -13.795 26.099 1.00 19.21 C ATOM 603 H ALA A 958 13.563 -14.284 23.961 1.00 0.00 H ATOM 604 N GLU A 959 15.802 -10.781 25.351 1.00 20.27 N ATOM 605 CA GLU A 959 16.890 -9.941 24.841 1.00 20.86 C ATOM 606 C GLU A 959 18.104 -10.871 24.628 1.00 22.74 C ATOM 607 O GLU A 959 18.423 -11.675 25.516 1.00 22.52 O ATOM 608 CB GLU A 959 17.184 -8.829 25.885 1.00 23.08 C ATOM 609 CG GLU A 959 18.578 -8.240 25.856 1.00 36.41 C ATOM 610 CD GLU A 959 18.844 -7.324 27.036 1.00 63.53 C ATOM 611 OE1 GLU A 959 19.076 -7.834 28.159 1.00 59.47 O ATOM 612 OE2 GLU A 959 18.812 -6.089 26.835 1.00 57.10 O ATOM 613 H GLU A 959 15.409 -10.588 26.294 1.00 0.00 H ATOM 614 N GLY A 960 18.695 -10.836 23.435 1.00 17.55 N ATOM 615 CA GLY A 960 19.832 -11.697 23.114 1.00 16.39 C ATOM 616 C GLY A 960 19.418 -13.045 22.527 1.00 16.64 C ATOM 617 O GLY A 960 20.266 -13.826 22.119 1.00 15.62 O ATOM 618 H GLY A 960 18.338 -10.179 22.712 1.00 0.00 H ATOM 619 N GLU A 961 18.100 -13.298 22.376 1.00 14.11 N ATOM 620 CA GLU A 961 17.651 -14.576 21.823 1.00 13.43 C ATOM 621 C GLU A 961 17.921 -14.639 20.311 1.00 17.35 C ATOM 622 O GLU A 961 17.647 -13.666 19.602 1.00 17.35 O ATOM 623 CB GLU A 961 16.154 -14.792 22.120 1.00 14.09 C ATOM 624 CG GLU A 961 15.707 -16.152 21.632 1.00 16.40 C ATOM 625 CD GLU A 961 14.380 -16.675 22.146 1.00 30.37 C ATOM 626 OE1 GLU A 961 13.736 -16.019 22.996 1.00 21.65 O ATOM 627 OE2 GLU A 961 13.964 -17.737 21.639 1.00 34.37 O ATOM 628 H GLU A 961 17.400 -12.581 22.654 1.00 0.00 H ATOM 629 N VAL A 962 18.445 -15.780 19.829 1.00 14.06 N ATOM 630 CA VAL A 962 18.713 -16.021 18.409 1.00 14.69 C ATOM 631 C VAL A 962 17.403 -16.402 17.768 1.00 18.92 C ATOM 632 O VAL A 962 16.707 -17.319 18.226 1.00 20.30 O ATOM 633 CB VAL A 962 19.827 -17.068 18.152 1.00 20.93 C ATOM 634 CG1 VAL A 962 20.059 -17.278 16.643 1.00 21.84 C ATOM 635 CG2 VAL A 962 21.117 -16.648 18.829 1.00 20.96 C ATOM 636 H VAL A 962 18.674 -16.537 20.505 1.00 0.00 H ATOM 637 N VAL A 963 17.055 -15.690 16.726 1.00 13.56 N ATOM 638 CA VAL A 963 15.779 -15.865 16.057 1.00 14.26 C ATOM 639 C VAL A 963 15.992 -15.960 14.560 1.00 17.78 C ATOM 640 O VAL A 963 17.054 -15.584 14.066 1.00 17.29 O ATOM 641 CB VAL A 963 14.825 -14.671 16.413 1.00 19.00 C ATOM 642 CG1 VAL A 963 14.423 -14.699 17.890 1.00 19.41 C ATOM 643 CG2 VAL A 963 15.433 -13.301 16.029 1.00 17.40 C ATOM 644 H VAL A 963 17.716 -14.973 16.365 1.00 0.00 H ATOM 645 N GLN A 964 14.944 -16.367 13.845 1.00 14.61 N ATOM 646 CA GLN A 964 14.922 -16.396 12.382 1.00 14.60 C ATOM 647 C GLN A 964 13.896 -15.362 11.962 1.00 16.44 C ATOM 648 O GLN A 964 12.783 -15.325 12.499 1.00 15.48 O ATOM 649 CB GLN A 964 14.533 -17.775 11.847 1.00 15.68 C ATOM 650 CG GLN A 964 15.521 -18.892 12.181 1.00 27.77 C ATOM 651 CD GLN A 964 15.040 -20.189 11.552 1.00 50.61 C ATOM 652 OE1 GLN A 964 13.922 -20.656 11.799 1.00 47.55 O ATOM 653 NE2 GLN A 964 15.848 -20.767 10.679 1.00 41.33 N ATOM 654 HE22 GLN A 964 16.784 -20.357 10.486 1.00 0.00 H ATOM 655 HE21 GLN A 964 15.547 -21.631 10.185 1.00 0.00 H ATOM 656 H GLN A 964 14.094 -16.682 14.355 1.00 0.00 H ATOM 657 N VAL A 965 14.285 -14.499 11.031 1.00 14.31 N ATOM 658 CA VAL A 965 13.467 -13.367 10.596 1.00 15.15 C ATOM 659 C VAL A 965 13.238 -13.426 9.113 1.00 19.02 C ATOM 660 O VAL A 965 14.213 -13.477 8.368 1.00 19.11 O ATOM 661 CB VAL A 965 14.230 -12.067 10.951 1.00 20.40 C ATOM 662 CG1 VAL A 965 13.565 -10.818 10.337 1.00 20.11 C ATOM 663 CG2 VAL A 965 14.418 -11.941 12.459 1.00 20.62 C ATOM 664 H VAL A 965 15.217 -14.634 10.589 1.00 0.00 H ATOM 665 N ARG A 966 11.976 -13.301 8.685 1.00 16.65 N ATOM 666 CA ARG A 966 11.692 -13.208 7.268 1.00 18.76 C ATOM 667 C ARG A 966 11.742 -11.727 6.906 1.00 26.11 C ATOM 668 O ARG A 966 10.967 -10.918 7.431 1.00 25.99 O ATOM 669 CB ARG A 966 10.349 -13.843 6.865 1.00 19.85 C ATOM 670 CG ARG A 966 10.238 -13.918 5.322 1.00 28.27 C ATOM 671 CD ARG A 966 9.044 -14.692 4.794 1.00 28.02 C ATOM 672 NE ARG A 966 8.937 -16.052 5.323 1.00 39.50 N ATOM 673 CZ ARG A 966 9.463 -17.130 4.757 1.00 47.38 C ATOM 674 NH1 ARG A 966 10.173 -17.025 3.647 1.00 39.15 N ATOM 675 NH2 ARG A 966 9.309 -18.319 5.315 1.00 40.18 N ATOM 676 HE ARG A 966 8.409 -16.183 6.209 1.00 0.00 H ATOM 677 HH12 ARG A 966 10.582 -17.875 3.209 1.00 0.00 H ATOM 678 HH11 ARG A 966 10.322 -16.092 3.212 1.00 0.00 H ATOM 679 HH22 ARG A 966 9.723 -19.161 4.867 1.00 0.00 H ATOM 680 HH21 ARG A 966 8.773 -18.412 6.202 1.00 0.00 H ATOM 681 H ARG A 966 11.196 -13.271 9.373 1.00 0.00 H ATOM 682 N TRP A 967 12.701 -11.376 6.056 1.00 25.22 N ATOM 683 CA TRP A 967 12.934 -10.009 5.595 1.00 27.24 C ATOM 684 C TRP A 967 12.028 -9.665 4.378 1.00 29.44 C ATOM 685 O TRP A 967 11.265 -10.510 3.938 1.00 29.70 O ATOM 686 CB TRP A 967 14.436 -9.863 5.292 1.00 27.14 C ATOM 687 CG TRP A 967 14.934 -8.463 5.075 1.00 28.65 C ATOM 688 CD1 TRP A 967 15.530 -7.981 3.946 1.00 31.90 C ATOM 689 CD2 TRP A 967 14.926 -7.383 6.019 1.00 28.29 C ATOM 690 NE1 TRP A 967 15.894 -6.671 4.125 1.00 31.53 N ATOM 691 CE2 TRP A 967 15.509 -6.265 5.378 1.00 32.59 C ATOM 692 CE3 TRP A 967 14.374 -7.209 7.303 1.00 29.38 C ATOM 693 CZ2 TRP A 967 15.631 -5.018 6.005 1.00 31.49 C ATOM 694 CZ3 TRP A 967 14.523 -5.984 7.936 1.00 30.36 C ATOM 695 CH2 TRP A 967 15.134 -4.903 7.288 1.00 30.88 C ATOM 696 HE1 TRP A 967 16.384 -6.080 3.423 1.00 0.00 H ATOM 697 H TRP A 967 13.327 -12.124 5.695 1.00 0.00 H ATOM 698 N THR A 968 12.122 -8.437 3.840 1.00 28.73 N ATOM 699 CA THR A 968 11.322 -7.896 2.718 1.00 29.10 C ATOM 700 C THR A 968 11.480 -8.637 1.368 1.00 32.20 C ATOM 701 O THR A 968 10.707 -8.386 0.443 1.00 32.30 O ATOM 702 CB THR A 968 11.675 -6.434 2.510 1.00 34.51 C ATOM 703 OG1 THR A 968 13.032 -6.389 2.064 1.00 40.12 O ATOM 704 CG2 THR A 968 11.517 -5.580 3.808 1.00 33.00 C ATOM 705 HG1 THR A 968 13.299 -5.447 1.917 1.00 0.00 H ATOM 706 H THR A 968 12.831 -7.800 4.256 1.00 0.00 H ATOM 707 N ASP A 969 12.519 -9.472 1.230 1.00 25.47 N ATOM 708 CA ASP A 969 12.822 -10.202 0.002 1.00 23.83 C ATOM 709 C ASP A 969 12.262 -11.639 0.060 1.00 29.57 C ATOM 710 O ASP A 969 12.442 -12.435 -0.874 1.00 28.62 O ATOM 711 CB ASP A 969 14.339 -10.187 -0.217 1.00 26.44 C ATOM 712 CG ASP A 969 15.195 -10.642 0.966 1.00 32.76 C ATOM 713 OD1 ASP A 969 14.617 -11.160 1.967 1.00 29.62 O ATOM 714 OD2 ASP A 969 16.428 -10.428 0.922 1.00 37.75 O ATOM 715 H ASP A 969 13.148 -9.608 2.047 1.00 0.00 H ATOM 716 N GLY A 970 11.598 -11.941 1.177 1.00 25.05 N ATOM 717 CA GLY A 970 11.035 -13.249 1.452 1.00 24.41 C ATOM 718 C GLY A 970 12.065 -14.196 2.007 1.00 26.56 C ATOM 719 O GLY A 970 11.745 -15.352 2.283 1.00 28.34 O ATOM 720 H GLY A 970 11.477 -11.195 1.892 1.00 0.00 H ATOM 721 N GLN A 971 13.329 -13.739 2.117 1.00 23.19 N ATOM 722 CA GLN A 971 14.392 -14.571 2.653 1.00 22.07 C ATOM 723 C GLN A 971 14.394 -14.539 4.191 1.00 22.34 C ATOM 724 O GLN A 971 14.088 -13.521 4.804 1.00 20.69 O ATOM 725 CB GLN A 971 15.783 -14.187 2.092 1.00 22.70 C ATOM 726 CG GLN A 971 16.965 -15.053 2.596 1.00 28.21 C ATOM 727 CD GLN A 971 16.867 -16.531 2.287 1.00 40.74 C ATOM 728 OE1 GLN A 971 15.966 -17.255 2.746 1.00 33.02 O ATOM 729 NE2 GLN A 971 17.883 -17.037 1.626 1.00 38.09 N ATOM 730 HE22 GLN A 971 18.624 -16.410 1.252 1.00 0.00 H ATOM 731 HE21 GLN A 971 17.947 -18.064 1.477 1.00 0.00 H ATOM 732 H GLN A 971 13.547 -12.769 1.811 1.00 0.00 H ATOM 733 N VAL A 972 14.771 -15.668 4.777 1.00 18.79 N ATOM 734 CA VAL A 972 14.887 -15.847 6.211 1.00 17.71 C ATOM 735 C VAL A 972 16.360 -15.712 6.573 1.00 19.41 C ATOM 736 O VAL A 972 17.212 -16.345 5.945 1.00 19.07 O ATOM 737 CB VAL A 972 14.266 -17.196 6.643 1.00 22.18 C ATOM 738 CG1 VAL A 972 14.396 -17.391 8.159 1.00 21.95 C ATOM 739 CG2 VAL A 972 12.792 -17.262 6.218 1.00 22.72 C ATOM 740 H VAL A 972 14.999 -16.479 4.167 1.00 0.00 H ATOM 741 N TYR A 973 16.659 -14.854 7.556 1.00 15.19 N ATOM 742 CA TYR A 973 18.006 -14.596 8.050 1.00 14.95 C ATOM 743 C TYR A 973 18.029 -14.801 9.560 1.00 18.95 C ATOM 744 O TYR A 973 17.028 -14.570 10.244 1.00 17.60 O ATOM 745 CB TYR A 973 18.398 -13.127 7.785 1.00 17.33 C ATOM 746 CG TYR A 973 18.379 -12.751 6.322 1.00 18.80 C ATOM 747 CD1 TYR A 973 17.225 -12.243 5.727 1.00 21.08 C ATOM 748 CD2 TYR A 973 19.515 -12.892 5.533 1.00 19.20 C ATOM 749 CE1 TYR A 973 17.203 -11.892 4.375 1.00 22.03 C ATOM 750 CE2 TYR A 973 19.510 -12.534 4.186 1.00 20.88 C ATOM 751 CZ TYR A 973 18.353 -12.031 3.613 1.00 27.30 C ATOM 752 OH TYR A 973 18.345 -11.683 2.291 1.00 26.04 O ATOM 753 HH TYR A 973 17.448 -11.345 2.045 1.00 0.00 H ATOM 754 H TYR A 973 15.874 -14.334 7.999 1.00 0.00 H ATOM 755 N GLY A 974 19.198 -15.140 10.064 1.00 16.29 N ATOM 756 CA GLY A 974 19.413 -15.282 11.493 1.00 16.44 C ATOM 757 C GLY A 974 19.629 -13.905 12.095 1.00 18.45 C ATOM 758 O GLY A 974 20.193 -13.009 11.461 1.00 18.82 O ATOM 759 H GLY A 974 19.994 -15.312 9.417 1.00 0.00 H ATOM 760 N ALA A 975 19.176 -13.716 13.315 1.00 15.21 N ATOM 761 CA ALA A 975 19.338 -12.424 13.990 1.00 14.70 C ATOM 762 C ALA A 975 19.281 -12.682 15.512 1.00 16.66 C ATOM 763 O ALA A 975 18.998 -13.805 15.945 1.00 15.01 O ATOM 764 CB ALA A 975 18.206 -11.460 13.557 1.00 15.09 C ATOM 765 H ALA A 975 18.695 -14.495 13.809 1.00 0.00 H ATOM 766 N LYS A 976 19.566 -11.656 16.298 1.00 12.74 N ATOM 767 CA LYS A 976 19.458 -11.700 17.746 1.00 12.00 C ATOM 768 C LYS A 976 18.499 -10.591 18.094 1.00 14.54 C ATOM 769 O LYS A 976 18.624 -9.470 17.577 1.00 13.74 O ATOM 770 CB LYS A 976 20.814 -11.489 18.452 1.00 16.65 C ATOM 771 CG LYS A 976 21.688 -12.746 18.450 1.00 41.96 C ATOM 772 CD LYS A 976 22.851 -12.641 19.436 1.00 54.64 C ATOM 773 CE LYS A 976 24.181 -12.351 18.776 1.00 68.40 C ATOM 774 NZ LYS A 976 24.269 -10.966 18.237 1.00 77.58 N ATOM 775 HZ1 LYS A 976 23.524 -10.824 17.526 1.00 0.00 H ATOM 776 HZ2 LYS A 976 24.144 -10.285 19.013 1.00 0.00 H ATOM 777 HZ3 LYS A 976 25.201 -10.825 17.797 1.00 0.00 H ATOM 778 H LYS A 976 19.884 -10.771 15.855 1.00 0.00 H ATOM 779 N PHE A 977 17.537 -10.905 18.930 1.00 13.06 N ATOM 780 CA PHE A 977 16.521 -9.969 19.384 1.00 13.75 C ATOM 781 C PHE A 977 17.131 -8.901 20.306 1.00 18.28 C ATOM 782 O PHE A 977 17.870 -9.227 21.229 1.00 18.25 O ATOM 783 CB PHE A 977 15.405 -10.698 20.132 1.00 15.75 C ATOM 784 CG PHE A 977 14.302 -9.751 20.532 1.00 16.67 C ATOM 785 CD1 PHE A 977 13.402 -9.260 19.584 1.00 18.84 C ATOM 786 CD2 PHE A 977 14.144 -9.362 21.862 1.00 17.55 C ATOM 787 CE1 PHE A 977 12.376 -8.384 19.960 1.00 19.05 C ATOM 788 CE2 PHE A 977 13.094 -8.510 22.237 1.00 18.95 C ATOM 789 CZ PHE A 977 12.226 -8.023 21.280 1.00 16.48 C ATOM 790 H PHE A 977 17.499 -11.880 19.289 1.00 0.00 H ATOM 791 N VAL A 978 16.732 -7.651 20.092 1.00 13.69 N ATOM 792 CA VAL A 978 17.248 -6.517 20.867 1.00 14.76 C ATOM 793 C VAL A 978 16.179 -5.922 21.759 1.00 18.48 C ATOM 794 O VAL A 978 16.357 -5.909 22.984 1.00 19.27 O ATOM 795 CB VAL A 978 17.924 -5.440 19.945 1.00 19.03 C ATOM 796 CG1 VAL A 978 18.363 -4.205 20.749 1.00 19.63 C ATOM 797 CG2 VAL A 978 19.077 -6.027 19.149 1.00 19.04 C ATOM 798 H VAL A 978 16.028 -7.470 19.348 1.00 0.00 H ATOM 799 N ALA A 979 15.067 -5.423 21.156 1.00 15.86 N ATOM 800 CA ALA A 979 14.022 -4.724 21.899 1.00 14.37 C ATOM 801 C ALA A 979 12.671 -4.656 21.210 1.00 16.56 C ATOM 802 O ALA A 979 12.577 -4.755 19.979 1.00 15.96 O ATOM 803 CB ALA A 979 14.482 -3.301 22.202 1.00 15.12 C ATOM 804 H ALA A 979 14.957 -5.543 20.129 1.00 0.00 H ATOM 805 N SER A 980 11.617 -4.469 22.027 1.00 13.95 N ATOM 806 CA SER A 980 10.243 -4.248 21.553 1.00 14.47 C ATOM 807 C SER A 980 10.026 -2.728 21.584 1.00 18.00 C ATOM 808 O SER A 980 10.478 -2.057 22.519 1.00 17.88 O ATOM 809 CB SER A 980 9.220 -4.901 22.483 1.00 18.99 C ATOM 810 OG SER A 980 9.363 -6.309 22.511 1.00 30.30 O ATOM 811 HG SER A 980 10.270 -6.541 22.832 1.00 0.00 H ATOM 812 H SER A 980 11.785 -4.482 23.053 1.00 0.00 H ATOM 813 N HIS A 981 9.338 -2.194 20.576 1.00 15.88 N ATOM 814 CA HIS A 981 9.053 -0.760 20.441 1.00 16.41 C ATOM 815 C HIS A 981 7.559 -0.546 20.264 1.00 18.02 C ATOM 816 O HIS A 981 7.099 -0.533 19.131 1.00 17.80 O ATOM 817 CB HIS A 981 9.840 -0.136 19.275 1.00 17.20 C ATOM 818 CG HIS A 981 11.319 -0.186 19.469 1.00 20.87 C ATOM 819 ND1 HIS A 981 11.940 0.551 20.455 1.00 22.79 N ATOM 820 CD2 HIS A 981 12.255 -0.883 18.789 1.00 23.01 C ATOM 821 CE1 HIS A 981 13.227 0.256 20.372 1.00 22.15 C ATOM 822 NE2 HIS A 981 13.460 -0.594 19.371 1.00 22.98 N ATOM 823 H HIS A 981 8.980 -2.833 19.838 1.00 0.00 H ATOM 824 N PRO A 982 6.779 -0.435 21.369 1.00 15.71 N ATOM 825 CA PRO A 982 5.325 -0.189 21.233 1.00 16.09 C ATOM 826 C PRO A 982 5.084 1.285 20.897 1.00 18.06 C ATOM 827 O PRO A 982 5.572 2.173 21.610 1.00 18.40 O ATOM 828 CB PRO A 982 4.764 -0.582 22.601 1.00 18.03 C ATOM 829 CG PRO A 982 5.946 -1.050 23.422 1.00 22.28 C ATOM 830 CD PRO A 982 7.168 -0.479 22.786 1.00 17.88 C ATOM 831 N ILE A 983 4.409 1.554 19.773 1.00 12.16 N ATOM 832 CA ILE A 983 4.214 2.917 19.275 1.00 12.21 C ATOM 833 C ILE A 983 2.729 3.252 19.141 1.00 17.52 C ATOM 834 O ILE A 983 1.959 2.447 18.593 1.00 17.07 O ATOM 835 CB ILE A 983 4.975 3.124 17.931 1.00 15.91 C ATOM 836 CG1 ILE A 983 6.502 2.774 18.083 1.00 18.84 C ATOM 837 CG2 ILE A 983 4.804 4.569 17.429 1.00 15.10 C ATOM 838 CD1 ILE A 983 7.336 2.842 16.839 1.00 26.75 C ATOM 839 H ILE A 983 4.007 0.763 19.231 1.00 0.00 H ATOM 840 N GLN A 984 2.339 4.454 19.612 1.00 14.89 N ATOM 841 CA GLN A 984 0.953 4.910 19.477 1.00 14.99 C ATOM 842 C GLN A 984 0.724 5.189 18.008 1.00 18.87 C ATOM 843 O GLN A 984 1.462 5.957 17.413 1.00 19.97 O ATOM 844 CB GLN A 984 0.687 6.176 20.341 1.00 16.35 C ATOM 845 CG GLN A 984 -0.675 6.832 20.113 1.00 37.33 C ATOM 846 CD GLN A 984 -1.733 6.197 20.960 1.00 53.24 C ATOM 847 OE1 GLN A 984 -1.888 6.517 22.142 1.00 50.98 O ATOM 848 NE2 GLN A 984 -2.475 5.277 20.374 1.00 45.00 N ATOM 849 HE22 GLN A 984 -2.312 5.036 19.375 1.00 0.00 H ATOM 850 HE21 GLN A 984 -3.223 4.793 20.911 1.00 0.00 H ATOM 851 H GLN A 984 3.035 5.069 20.080 1.00 0.00 H ATOM 852 N MET A 985 -0.309 4.569 17.417 1.00 13.92 N ATOM 853 CA MET A 985 -0.639 4.729 16.022 1.00 15.05 C ATOM 854 C MET A 985 -2.144 4.929 15.870 1.00 17.49 C ATOM 855 O MET A 985 -2.893 4.899 16.848 1.00 15.54 O ATOM 856 CB MET A 985 -0.119 3.539 15.190 1.00 18.11 C ATOM 857 CG MET A 985 1.441 3.498 15.088 1.00 23.40 C ATOM 858 SD MET A 985 2.004 2.154 14.024 1.00 28.50 S ATOM 859 CE MET A 985 2.066 3.003 12.472 1.00 25.92 C ATOM 860 H MET A 985 -0.903 3.940 17.995 1.00 0.00 H ATOM 861 N TYR A 986 -2.579 5.084 14.636 1.00 14.30 N ATOM 862 CA TYR A 986 -3.957 5.421 14.339 1.00 15.46 C ATOM 863 C TYR A 986 -4.541 4.508 13.327 1.00 19.04 C ATOM 864 O TYR A 986 -4.004 4.378 12.235 1.00 20.01 O ATOM 865 CB TYR A 986 -4.056 6.899 13.862 1.00 18.14 C ATOM 866 CG TYR A 986 -3.365 7.839 14.822 1.00 20.64 C ATOM 867 CD1 TYR A 986 -4.024 8.321 15.948 1.00 23.35 C ATOM 868 CD2 TYR A 986 -2.001 8.104 14.707 1.00 21.75 C ATOM 869 CE1 TYR A 986 -3.371 9.119 16.886 1.00 24.53 C ATOM 870 CE2 TYR A 986 -1.319 8.836 15.683 1.00 23.31 C ATOM 871 CZ TYR A 986 -2.014 9.367 16.754 1.00 30.73 C ATOM 872 OH TYR A 986 -1.361 10.123 17.697 1.00 31.19 O ATOM 873 HH TYR A 986 -0.651 9.579 18.121 1.00 0.00 H ATOM 874 H TYR A 986 -1.911 4.960 13.849 1.00 0.00 H ATOM 875 N GLN A 987 -5.679 3.921 13.655 1.00 15.43 N ATOM 876 CA GLN A 987 -6.365 3.079 12.675 1.00 13.78 C ATOM 877 C GLN A 987 -7.397 3.945 12.018 1.00 14.90 C ATOM 878 O GLN A 987 -8.228 4.527 12.708 1.00 13.74 O ATOM 879 CB GLN A 987 -7.033 1.877 13.344 1.00 14.72 C ATOM 880 CG GLN A 987 -7.484 0.850 12.308 1.00 18.28 C ATOM 881 CD GLN A 987 -7.717 -0.514 12.919 1.00 22.42 C ATOM 882 OE1 GLN A 987 -7.212 -0.850 13.991 1.00 19.80 O ATOM 883 NE2 GLN A 987 -8.408 -1.353 12.202 1.00 16.28 N ATOM 884 HE22 GLN A 987 -8.825 -1.046 11.300 1.00 0.00 H ATOM 885 HE21 GLN A 987 -8.543 -2.330 12.531 1.00 0.00 H ATOM 886 H GLN A 987 -6.084 4.057 14.603 1.00 0.00 H ATOM 887 N VAL A 988 -7.307 4.075 10.693 1.00 12.72 N ATOM 888 CA VAL A 988 -8.174 4.940 9.882 1.00 14.27 C ATOM 889 C VAL A 988 -9.053 4.142 8.929 1.00 18.28 C ATOM 890 O VAL A 988 -8.635 3.084 8.477 1.00 16.42 O ATOM 891 CB VAL A 988 -7.347 6.012 9.098 1.00 18.50 C ATOM 892 CG1 VAL A 988 -6.648 6.987 10.063 1.00 17.97 C ATOM 893 CG2 VAL A 988 -6.317 5.360 8.157 1.00 18.43 C ATOM 894 H VAL A 988 -6.573 3.527 10.201 1.00 0.00 H ATOM 895 N GLU A 989 -10.253 4.673 8.587 1.00 15.53 N ATOM 896 CA GLU A 989 -11.167 4.026 7.642 1.00 14.55 C ATOM 897 C GLU A 989 -11.491 5.013 6.532 1.00 18.84 C ATOM 898 O GLU A 989 -11.882 6.145 6.824 1.00 19.46 O ATOM 899 CB GLU A 989 -12.474 3.581 8.340 1.00 15.58 C ATOM 900 CG GLU A 989 -13.398 2.843 7.389 1.00 23.77 C ATOM 901 CD GLU A 989 -14.859 2.739 7.792 1.00 46.86 C ATOM 902 OE1 GLU A 989 -15.515 1.776 7.343 1.00 45.82 O ATOM 903 OE2 GLU A 989 -15.371 3.647 8.484 1.00 48.63 O ATOM 904 H GLU A 989 -10.537 5.578 9.014 1.00 0.00 H ATOM 905 N PHE A 990 -11.331 4.583 5.278 1.00 17.81 N ATOM 906 CA PHE A 990 -11.633 5.348 4.059 1.00 19.13 C ATOM 907 C PHE A 990 -13.069 5.015 3.607 1.00 26.25 C ATOM 908 O PHE A 990 -13.647 4.046 4.106 1.00 25.70 O ATOM 909 CB PHE A 990 -10.609 4.979 2.965 1.00 20.24 C ATOM 910 CG PHE A 990 -9.196 5.336 3.369 1.00 21.22 C ATOM 911 CD1 PHE A 990 -8.704 6.617 3.170 1.00 22.95 C ATOM 912 CD2 PHE A 990 -8.371 4.399 3.989 1.00 21.10 C ATOM 913 CE1 PHE A 990 -7.418 6.961 3.590 1.00 23.32 C ATOM 914 CE2 PHE A 990 -7.096 4.751 4.421 1.00 24.02 C ATOM 915 CZ PHE A 990 -6.626 6.025 4.215 1.00 23.03 C ATOM 916 H PHE A 990 -10.959 3.620 5.152 1.00 0.00 H ATOM 917 N GLU A 991 -13.657 5.792 2.666 1.00 26.78 N ATOM 918 CA GLU A 991 -15.044 5.535 2.230 1.00 28.33 C ATOM 919 C GLU A 991 -15.269 4.209 1.495 1.00 33.90 C ATOM 920 O GLU A 991 -16.393 3.710 1.510 1.00 35.24 O ATOM 921 CB GLU A 991 -15.625 6.689 1.412 1.00 30.46 C ATOM 922 CG GLU A 991 -16.479 7.651 2.227 1.00 47.05 C ATOM 923 CD GLU A 991 -17.716 7.091 2.904 1.00 65.04 C ATOM 924 OE1 GLU A 991 -18.413 6.249 2.293 1.00 58.86 O ATOM 925 OE2 GLU A 991 -18.002 7.519 4.045 1.00 65.02 O ATOM 926 H GLU A 991 -13.124 6.580 2.245 1.00 0.00 H ATOM 927 N ASP A 992 -14.220 3.609 0.895 1.00 29.66 N ATOM 928 CA ASP A 992 -14.360 2.290 0.274 1.00 28.86 C ATOM 929 C ASP A 992 -14.488 1.197 1.361 1.00 31.14 C ATOM 930 O ASP A 992 -14.714 0.033 1.042 1.00 30.70 O ATOM 931 CB ASP A 992 -13.168 1.985 -0.661 1.00 30.68 C ATOM 932 CG ASP A 992 -11.789 2.091 -0.019 1.00 34.29 C ATOM 933 OD1 ASP A 992 -11.717 2.388 1.199 1.00 28.70 O ATOM 934 OD2 ASP A 992 -10.782 1.952 -0.751 1.00 40.26 O ATOM 935 H ASP A 992 -13.298 4.090 0.873 1.00 0.00 H ATOM 936 N GLY A 993 -14.345 1.589 2.629 1.00 26.87 N ATOM 937 CA GLY A 993 -14.415 0.656 3.743 1.00 25.19 C ATOM 938 C GLY A 993 -13.075 0.076 4.156 1.00 24.11 C ATOM 939 O GLY A 993 -12.994 -0.586 5.189 1.00 24.84 O ATOM 940 H GLY A 993 -14.178 2.596 2.827 1.00 0.00 H ATOM 941 N SER A 994 -12.015 0.311 3.377 1.00 17.79 N ATOM 942 CA SER A 994 -10.669 -0.176 3.696 1.00 17.21 C ATOM 943 C SER A 994 -10.170 0.492 4.982 1.00 18.94 C ATOM 944 O SER A 994 -10.575 1.618 5.289 1.00 18.32 O ATOM 945 CB SER A 994 -9.699 0.108 2.552 1.00 19.86 C ATOM 946 OG SER A 994 -9.482 1.489 2.318 1.00 27.52 O ATOM 947 HG SER A 994 -10.342 1.923 2.090 1.00 0.00 H ATOM 948 H SER A 994 -12.151 0.863 2.506 1.00 0.00 H ATOM 949 N GLN A 995 -9.293 -0.198 5.715 1.00 17.60 N ATOM 950 CA GLN A 995 -8.707 0.327 6.954 1.00 18.40 C ATOM 951 C GLN A 995 -7.220 0.082 6.953 1.00 22.81 C ATOM 952 O GLN A 995 -6.749 -0.921 6.417 1.00 22.05 O ATOM 953 CB GLN A 995 -9.331 -0.321 8.204 1.00 20.02 C ATOM 954 CG GLN A 995 -10.770 0.115 8.461 1.00 20.22 C ATOM 955 CD GLN A 995 -11.462 -0.683 9.545 1.00 25.09 C ATOM 956 OE1 GLN A 995 -10.859 -1.205 10.476 1.00 19.50 O ATOM 957 NE2 GLN A 995 -12.757 -0.760 9.440 1.00 19.00 N ATOM 958 HE22 GLN A 995 -13.242 -0.307 8.639 1.00 0.00 H ATOM 959 HE21 GLN A 995 -13.307 -1.274 10.157 1.00 0.00 H ATOM 960 H GLN A 995 -9.013 -1.147 5.395 1.00 0.00 H ATOM 961 N LEU A 996 -6.479 0.990 7.565 1.00 19.36 N ATOM 962 CA LEU A 996 -5.024 0.868 7.654 1.00 19.21 C ATOM 963 C LEU A 996 -4.636 1.388 9.001 1.00 20.90 C ATOM 964 O LEU A 996 -5.350 2.212 9.563 1.00 20.28 O ATOM 965 CB LEU A 996 -4.318 1.769 6.612 1.00 20.29 C ATOM 966 CG LEU A 996 -4.298 1.369 5.154 1.00 27.86 C ATOM 967 CD1 LEU A 996 -3.504 2.377 4.368 1.00 29.36 C ATOM 968 CD2 LEU A 996 -3.669 -0.006 4.951 1.00 31.60 C ATOM 969 H LEU A 996 -6.944 1.815 7.996 1.00 0.00 H ATOM 970 N VAL A 997 -3.474 0.994 9.473 1.00 18.23 N ATOM 971 CA VAL A 997 -2.897 1.533 10.692 1.00 19.79 C ATOM 972 C VAL A 997 -1.784 2.463 10.220 1.00 22.87 C ATOM 973 O VAL A 997 -0.901 2.030 9.468 1.00 21.85 O ATOM 974 CB VAL A 997 -2.424 0.458 11.705 1.00 24.68 C ATOM 975 CG1 VAL A 997 -1.717 1.105 12.882 1.00 25.48 C ATOM 976 CG2 VAL A 997 -3.595 -0.375 12.202 1.00 25.03 C ATOM 977 H VAL A 997 -2.946 0.266 8.952 1.00 0.00 H ATOM 978 N VAL A 998 -1.878 3.762 10.583 1.00 17.92 N ATOM 979 CA VAL A 998 -0.926 4.790 10.130 1.00 17.63 C ATOM 980 C VAL A 998 -0.180 5.442 11.268 1.00 21.39 C ATOM 981 O VAL A 998 -0.666 5.463 12.398 1.00 20.05 O ATOM 982 CB VAL A 998 -1.592 5.866 9.207 1.00 21.13 C ATOM 983 CG1 VAL A 998 -2.066 5.263 7.888 1.00 21.94 C ATOM 984 CG2 VAL A 998 -2.735 6.588 9.909 1.00 20.01 C ATOM 985 H VAL A 998 -2.657 4.048 11.210 1.00 0.00 H ATOM 986 N LYS A 999 1.020 5.962 10.975 1.00 21.84 N ATOM 987 CA LYS A 999 1.826 6.710 11.939 1.00 21.80 C ATOM 988 C LYS A 999 1.341 8.182 12.002 1.00 24.68 C ATOM 989 O LYS A 999 0.730 8.681 11.044 1.00 23.50 O ATOM 990 CB LYS A 999 3.342 6.604 11.597 1.00 24.21 C ATOM 991 CG LYS A 999 3.724 7.093 10.198 1.00 37.84 C ATOM 992 CD LYS A 999 5.205 6.821 9.908 1.00 50.97 C ATOM 993 CE LYS A 999 5.537 6.846 8.435 1.00 58.16 C ATOM 994 NZ LYS A 999 5.158 5.577 7.759 1.00 65.95 N ATOM 995 HZ1 LYS A 999 5.673 4.786 8.196 1.00 0.00 H ATOM 996 HZ2 LYS A 999 4.134 5.424 7.860 1.00 0.00 H ATOM 997 HZ3 LYS A 999 5.403 5.637 6.750 1.00 0.00 H ATOM 998 H LYS A 999 1.396 5.827 10.015 1.00 0.00 H ATOM 999 N ARG A1000 1.611 8.869 13.117 1.00 23.64 N ATOM 1000 CA ARG A1000 1.235 10.278 13.339 1.00 24.97 C ATOM 1001 C ARG A1000 1.636 11.184 12.166 1.00 30.70 C ATOM 1002 O ARG A1000 0.857 12.055 11.771 1.00 29.07 O ATOM 1003 CB ARG A1000 1.855 10.810 14.662 1.00 27.31 C ATOM 1004 CG ARG A1000 1.419 12.222 15.089 1.00 32.82 C ATOM 1005 CD ARG A1000 -0.101 12.395 15.130 1.00 38.97 C ATOM 1006 NE ARG A1000 -0.501 13.799 15.251 1.00 43.28 N ATOM 1007 CZ ARG A1000 -0.662 14.640 14.230 1.00 51.30 C ATOM 1008 NH1 ARG A1000 -0.449 14.235 12.983 1.00 34.57 N ATOM 1009 NH2 ARG A1000 -1.028 15.892 14.451 1.00 37.73 N ATOM 1010 HE ARG A1000 -0.673 14.168 16.208 1.00 0.00 H ATOM 1011 HH12 ARG A1000 -0.577 14.898 12.192 1.00 0.00 H ATOM 1012 HH11 ARG A1000 -0.154 13.255 12.798 1.00 0.00 H ATOM 1013 HH22 ARG A1000 -1.153 16.546 13.652 1.00 0.00 H ATOM 1014 HH21 ARG A1000 -1.191 16.222 15.424 1.00 0.00 H ATOM 1015 H ARG A1000 2.120 8.377 13.879 1.00 0.00 H ATOM 1016 N ASP A1001 2.833 10.936 11.593 1.00 30.26 N ATOM 1017 CA ASP A1001 3.404 11.679 10.468 1.00 31.60 C ATOM 1018 C ASP A1001 2.635 11.525 9.145 1.00 34.84 C ATOM 1019 O ASP A1001 2.853 12.328 8.231 1.00 36.63 O ATOM 1020 CB ASP A1001 4.876 11.279 10.278 1.00 35.05 C ATOM 1021 CG ASP A1001 5.871 12.095 11.085 1.00 57.00 C ATOM 1022 OD1 ASP A1001 5.486 12.616 12.164 1.00 59.04 O ATOM 1023 OD2 ASP A1001 7.042 12.192 10.656 1.00 66.65 O ATOM 1024 H ASP A1001 3.396 10.153 11.983 1.00 0.00 H ATOM 1025 N ASP A1002 1.747 10.509 9.031 1.00 27.69 N ATOM 1026 CA ASP A1002 0.948 10.267 7.821 1.00 26.42 C ATOM 1027 C ASP A1002 -0.512 10.784 7.935 1.00 28.09 C ATOM 1028 O ASP A1002 -1.299 10.557 7.021 1.00 26.69 O ATOM 1029 CB ASP A1002 0.943 8.766 7.479 1.00 28.34 C ATOM 1030 CG ASP A1002 2.134 8.276 6.679 1.00 39.41 C ATOM 1031 OD1 ASP A1002 3.078 9.061 6.477 1.00 40.90 O ATOM 1032 OD2 ASP A1002 2.104 7.118 6.226 1.00 49.41 O ATOM 1033 H ASP A1002 1.624 9.868 9.840 1.00 0.00 H ATOM 1034 N VAL A1003 -0.840 11.480 9.032 1.00 24.20 N ATOM 1035 CA VAL A1003 -2.172 12.029 9.369 1.00 24.63 C ATOM 1036 C VAL A1003 -2.099 13.567 9.278 1.00 28.59 C ATOM 1037 O VAL A1003 -1.201 14.179 9.863 1.00 28.46 O ATOM 1038 CB VAL A1003 -2.612 11.573 10.804 1.00 29.03 C ATOM 1039 CG1 VAL A1003 -3.972 12.145 11.196 1.00 29.52 C ATOM 1040 CG2 VAL A1003 -2.629 10.052 10.935 1.00 28.40 C ATOM 1041 H VAL A1003 -0.078 11.652 9.719 1.00 0.00 H ATOM 1042 N TYR A1004 -3.032 14.174 8.543 1.00 23.77 N ATOM 1043 CA TYR A1004 -3.133 15.633 8.366 1.00 36.80 C ATOM 1044 C TYR A1004 -4.523 16.122 8.763 1.00 64.10 C ATOM 1045 O TYR A1004 -5.504 15.419 8.531 1.00 31.06 O ATOM 1046 CB TYR A1004 -2.799 16.050 6.917 1.00 37.38 C ATOM 1047 CG TYR A1004 -1.347 15.818 6.570 1.00 40.05 C ATOM 1048 CD1 TYR A1004 -0.914 14.587 6.081 1.00 42.55 C ATOM 1049 CD2 TYR A1004 -0.388 16.803 6.799 1.00 40.87 C ATOM 1050 CE1 TYR A1004 0.432 14.351 5.801 1.00 43.96 C ATOM 1051 CE2 TYR A1004 0.962 16.576 6.527 1.00 41.83 C ATOM 1052 CZ TYR A1004 1.366 15.348 6.026 1.00 48.95 C ATOM 1053 OH TYR A1004 2.688 15.108 5.743 1.00 48.21 O ATOM 1054 HH TYR A1004 2.788 14.186 5.397 1.00 0.00 H ATOM 1055 H TYR A1004 -3.735 13.577 8.063 1.00 0.00 H TER 1056 TYR A1004 HETATM 1057 O HOH 1 7.069 -15.438 26.585 1.00 28.94 O HETATM 1058 O HOH 2 18.273 0.748 15.373 1.00 38.29 O HETATM 1059 O HOH 3 -8.234 9.276 -6.398 1.00 34.10 O HETATM 1060 O HOH 4 1.753 -6.805 13.933 1.00 35.61 O HETATM 1061 O HOH 5 14.161 2.321 10.763 1.00 38.17 O HETATM 1062 O HOH 6 10.809 -6.742 24.729 1.00 27.21 O HETATM 1063 O HOH 7 7.860 -13.035 25.826 1.00 26.25 O HETATM 1064 O HOH 8 -1.950 12.437 18.970 1.00 38.16 O HETATM 1065 O HOH 9 2.635 7.313 15.383 1.00 31.40 O HETATM 1066 O HOH 10 -0.896 -17.312 16.870 1.00 37.87 O HETATM 1067 O HOH 11 14.644 -1.439 8.181 1.00 50.35 O HETATM 1068 O HOH 12 0.657 -10.655 22.128 1.00 28.87 O HETATM 1069 O HOH 13 13.619 4.385 13.635 1.00 39.16 O HETATM 1070 O HOH 14 6.142 -14.323 15.582 1.00 20.18 O HETATM 1071 O HOH 15 16.848 0.200 20.981 1.00 55.43 O HETATM 1072 O HOH 16 20.135 -13.114 0.817 1.00 47.55 O HETATM 1073 O HOH 17 -5.334 18.614 22.838 1.00 58.80 O HETATM 1074 O HOH 18 3.357 -14.592 15.866 1.00 36.43 O HETATM 1075 O HOH 19 18.933 -12.255 28.133 1.00 30.68 O HETATM 1076 O HOH 20 5.156 -8.292 21.478 1.00 27.05 O HETATM 1077 O HOH 21 2.104 5.026 8.037 1.00 45.84 O HETATM 1078 O HOH 22 -0.208 14.366 17.975 1.00 42.36 O HETATM 1079 O HOH 23 1.288 9.610 18.461 1.00 39.19 O HETATM 1080 O HOH 24 12.083 -9.051 25.425 1.00 30.78 O HETATM 1081 O HOH 25 -2.204 -1.237 8.304 1.00 32.02 O HETATM 1082 O HOH 26 5.116 -15.794 12.122 1.00 39.44 O HETATM 1083 O HOH 27 6.731 -16.803 6.940 1.00 39.11 O HETATM 1084 O HOH 28 1.023 -3.691 20.666 1.00 35.62 O HETATM 1085 O HOH 29 -16.350 6.855 6.271 1.00 49.02 O HETATM 1086 O HOH 30 25.971 -10.181 16.074 1.00 52.06 O HETATM 1087 O HOH 31 -19.021 4.992 4.991 1.00 53.36 O HETATM 1088 O HOH 32 13.945 -18.193 18.210 1.00 43.69 O HETATM 1089 O HOH 33 14.891 -10.425 28.082 1.00 39.45 O HETATM 1090 O HOH 34 11.856 2.814 12.074 1.00 35.01 O HETATM 1091 O HOH 35 1.929 18.963 15.347 1.00 40.77 O HETATM 1092 O HOH 36 -6.556 1.726 2.336 1.00 31.92 O HETATM 1093 O HOH 37 12.342 -4.502 24.883 1.00 26.94 O HETATM 1094 O HOH 38 8.297 -5.720 7.723 1.00 48.34 O HETATM 1095 O HOH 39 3.259 -4.408 14.349 1.00 35.68 O HETATM 1096 O HOH 40 4.881 9.780 13.376 1.00 32.46 O HETATM 1097 O HOH 41 0.176 2.938 1.498 1.00 59.48 O HETATM 1098 O HOH 42 -9.053 -3.033 4.642 1.00 31.95 O HETATM 1099 O HOH 43 5.781 -14.060 8.282 1.00 41.50 O HETATM 1100 O HOH 44 6.763 -20.236 19.866 1.00 46.10 O HETATM 1101 O HOH 45 23.219 -8.757 20.090 1.00 46.18 O HETATM 1102 O HOH 46 -6.562 -1.117 3.354 1.00 42.04 O HETATM 1103 O HOH 47 6.373 -6.567 23.211 1.00 30.73 O HETATM 1104 O HOH 48 26.680 -6.476 16.137 1.00 55.95 O HETATM 1105 O HOH 49 15.462 -0.147 10.532 1.00 36.27 O HETATM 1106 O HOH 50 17.981 -8.779 -1.209 1.00 51.30 O HETATM 1107 O HOH 51 17.277 -1.416 8.602 1.00 46.30 O HETATM 1108 O HOH 52 20.044 -17.624 5.365 1.00 56.86 O HETATM 1109 O HOH 53 21.661 -15.573 7.981 1.00 39.60 O HETATM 1110 O HOH 54 -2.219 12.556 -2.860 1.00 48.24 O HETATM 1111 O HOH 55 10.617 1.689 16.211 1.00 55.88 O HETATM 1112 O HOH 56 -6.526 18.574 8.115 1.00 39.69 O HETATM 1113 O HOH 57 -3.369 6.984 -7.825 1.00 55.30 O HETATM 1114 O HOH 58 12.545 -23.073 13.671 1.00 58.77 O HETATM 1115 O HOH 59 27.775 -3.692 8.668 1.00 49.88 O HETATM 1116 O HOH 60 9.768 2.012 13.634 1.00 57.30 O HETATM 1117 O HOH 61 3.291 2.809 9.058 1.00 60.05 O HETATM 1118 O HOH 62 16.102 5.259 14.524 1.00 30.46 O HETATM 1119 O HOH 63 8.750 -16.298 24.282 1.00 60.68 O HETATM 1120 O HOH 64 -7.930 14.804 -0.564 1.00 53.82 O HETATM 1121 O HOH 65 1.381 -18.546 13.960 1.00 42.59 O HETATM 1122 O HOH 66 -4.427 11.102 22.035 1.00 61.28 O HETATM 1123 O HOH 67 -10.317 17.267 7.661 1.00 58.49 O HETATM 1124 O HOH 68 16.719 -20.334 16.007 1.00 53.47 O HETATM 1125 O HOH 69 7.510 15.836 12.174 1.00 38.02 O HETATM 1126 O HOH 70 17.880 1.273 12.750 1.00 54.38 O HETATM 1127 O HOH 71 -2.349 18.503 11.389 1.00 59.42 O HETATM 1128 O HOH 72 8.709 -6.320 26.733 1.00 54.88 O HETATM 1129 O HOH 73 30.304 -9.801 8.529 1.00 53.38 O HETATM 1130 O HOH 74 6.357 4.119 13.360 1.00 47.66 O HETATM 1131 C4 UNN A 75 22.567 -11.891 7.812 1.00 -0.03 C HETATM 1132 C5 UNN A 75 23.783 -11.988 7.096 1.00 -0.03 C HETATM 1133 C6 UNN A 75 24.044 -11.079 6.062 1.00 -0.03 C HETATM 1134 C7 UNN A 75 23.094 -10.074 5.725 1.00 -0.04 C HETATM 1135 C8 UNN A 75 21.867 -9.974 6.427 1.00 -0.04 C HETATM 1136 C3 UNN A 75 21.627 -10.903 7.493 1.00 -0.04 C HETATM 1137 H15 UNN A 75 20.705 -10.840 8.060 1.00 0.09 H HETATM 1138 C9 UNN A 75 20.848 -8.939 6.031 1.00 -0.01 C HETATM 1139 C10 UNN A 75 21.019 -7.561 6.768 1.00 0.05 C HETATM 1140 O1 UNN A 75 22.009 -6.709 6.228 1.00 -0.40 O HETATM 1141 H13 UNN A 75 22.853 -7.143 6.265 1.00 0.21 H HETATM 1142 C11 UNN A 75 19.610 -6.909 6.600 1.00 0.02 C HETATM 1143 C12 UNN A 75 18.823 -7.931 5.787 1.00 -0.04 C HETATM 1144 C13 UNN A 75 19.323 -8.085 4.339 1.00 -0.06 C HETATM 1145 C14 UNN A 75 20.719 -8.675 4.503 1.00 -0.07 C HETATM 1146 H18 UNN A 75 21.485 -7.962 4.165 1.00 0.02 H HETATM 1147 H19 UNN A 75 20.815 -9.613 3.936 1.00 0.02 H HETATM 1148 H6 UNN A 75 19.366 -7.110 3.832 1.00 0.03 H HETATM 1149 H7 UNN A 75 18.673 -8.766 3.769 1.00 0.03 H HETATM 1150 C15 UNN A 75 19.380 -9.224 6.377 1.00 -0.07 C HETATM 1151 H8 UNN A 75 19.207 -9.306 7.460 1.00 0.02 H HETATM 1152 H9 UNN A 75 18.992 -10.122 5.875 1.00 0.02 H HETATM 1153 H17 UNN A 75 17.734 -7.793 5.858 1.00 0.03 H HETATM 1154 C16 UNN A 75 19.587 -5.481 6.030 1.00 -0.03 C HETATM 1155 N2 UNN A 75 20.247 -4.595 7.020 1.00 0.23 N HETATM 1156 C17 UNN A 75 19.366 -4.201 8.157 1.00 -0.04 C HETATM 1157 H10 UNN A 75 19.924 -3.548 8.844 1.00 0.08 H HETATM 1158 H11 UNN A 75 19.036 -5.102 8.695 1.00 0.08 H HETATM 1159 H12 UNN A 75 18.488 -3.662 7.771 1.00 0.08 H HETATM 1160 C18 UNN A 75 20.803 -3.406 6.323 1.00 -0.04 C HETATM 1161 H22 UNN A 75 21.293 -2.748 7.055 1.00 0.08 H HETATM 1162 H23 UNN A 75 19.989 -2.859 5.825 1.00 0.08 H HETATM 1163 H24 UNN A 75 21.539 -3.732 5.573 1.00 0.08 H HETATM 1164 H14 UNN A 75 21.020 -5.109 7.414 1.00 0.20 H HETATM 1165 H20 UNN A 75 20.132 -5.449 5.075 1.00 0.08 H HETATM 1166 H21 UNN A 75 18.548 -5.157 5.870 1.00 0.08 H HETATM 1167 H16 UNN A 75 19.151 -6.840 7.597 1.00 0.04 H HETATM 1168 H5 UNN A 75 21.249 -7.732 7.830 1.00 0.05 H HETATM 1169 H4 UNN A 75 23.311 -9.378 4.923 1.00 0.09 H HETATM 1170 H3 UNN A 75 24.977 -11.142 5.514 1.00 0.07 H HETATM 1171 H2 UNN A 75 24.505 -12.757 7.345 1.00 0.09 H HETATM 1172 H1 UNN A 75 22.361 -12.588 8.616 1.00 0.07 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 1131 1132 1136 1172 CONECT 1132 1131 1133 1171 CONECT 1133 1132 1134 1170 CONECT 1134 1133 1135 1169 CONECT 1135 1134 1136 1138 CONECT 1136 1131 1135 1137 CONECT 1137 1136 CONECT 1138 1135 1139 1145 1150 CONECT 1139 1138 1140 1142 1168 CONECT 1140 1139 1141 CONECT 1141 1140 CONECT 1142 1139 1143 1154 1167 CONECT 1143 1142 1144 1150 1153 CONECT 1144 1143 1145 1148 1149 CONECT 1145 1138 1144 1146 1147 CONECT 1146 1145 CONECT 1147 1145 CONECT 1148 1144 CONECT 1149 1144 CONECT 1150 1138 1143 1151 1152 CONECT 1151 1150 CONECT 1152 1150 CONECT 1153 1143 CONECT 1154 1142 1155 1165 1166 CONECT 1155 1154 1156 1160 1164 CONECT 1156 1155 1157 1158 1159 CONECT 1157 1156 CONECT 1158 1156 CONECT 1159 1156 CONECT 1160 1155 1161 1162 1163 CONECT 1161 1160 CONECT 1162 1160 CONECT 1163 1160 CONECT 1164 1155 CONECT 1165 1154 CONECT 1166 1154 CONECT 1167 1142 CONECT 1168 1139 CONECT 1169 1134 CONECT 1170 1133 CONECT 1171 1132 CONECT 1172 1131 MASTER 0 0 0 0 0 0 0 0 1171 1 46 9 END
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Related entries of code: 5var
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2gfa
RCSB PDB
PDBbind
119aa, >2GFA_1|Chains... at 98%
2qqs
RCSB PDB
PDBbind
118aa, >2QQS_1|Chains... at 97%
5d6y
RCSB PDB
PDBbind
121aa, >5D6Y_1|Chains... *
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
5var
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Lysine-specific demethylase 4A
Ligand Name
92Y
EC.Number
E.C.1.14.11.-
Resolution
1.83(Å)
Affinity (Kd/Ki/IC50)
Kd=81.7uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Bioorg. Med. Chem. Lett. Vol. 28: pp. 1708-1713
Ligand Properties
Formula
C
1
6
H
2
4
NO
Molecular Weight
246.368
Exact Mass
246.186
No. of atoms
42
No. of bonds
44
Polar Surface Area
24.67
LOGP Value
3.27 (
Computed with XLOGP3
)
0.86 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 3
Canonical SMILES
C[NH+](C[C@H]1[C@H]2CC[C@@]([C@H]1O)(C2)c1ccccc1)C
InChI String
InChI=1S/C16H23NO/c1-17(2)11-14-12-8-9-16(10-12,15(14)18)13-6-4-3-5-7-13/h3-7,12,14-15,18H,8-11H2,1-2H3/p+1/t12-,14-,15-,16+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O75164
Entrez Gene ID
NCBI Entrez Gene ID:
9682
ASD
Information of known allosteric effects of PDB entries
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