Browse entries in the PDBbind-CN Database
HEADER 6MIN_COMPLEX COMPND 6MIN_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 139 GLY SER MET VAL ALA THR VAL LYS ARG THR ILE ARG ILE SEQRES 2 A 139 LYS THR GLN GLN HIS ILE LEU PRO GLU VAL PRO PRO VAL SEQRES 3 A 139 GLU ASN PHE PRO VAL ARG GLN TRP SER ILE GLU ILE VAL SEQRES 4 A 139 LEU LEU ASP ASP GLU GLY LYS GLU ILE PRO ALA THR ILE SEQRES 5 A 139 PHE ASP LYS VAL ILE TYR HIS LEU HIS PRO THR PHE ALA SEQRES 6 A 139 ASN PRO ASN ARG THR PHE THR ASP PRO PRO PHE ARG ILE SEQRES 7 A 139 GLU GLU GLN GLY TRP ALA GLY PHE PRO LEU ASP ILE SER SEQRES 8 A 139 VAL PHE LEU LEU GLU LYS ALA GLY GLU ARG LYS ILE PRO SEQRES 9 A 139 HIS ASP LEU ASN PHE LEU GLN GLU SER TYR GLU VAL GLU SEQRES 10 A 139 HIS VAL ILE GLN ILE PRO LEU ASN LYS PRO LEU LEU THR SEQRES 11 A 139 GLU GLU LEU ALA LYS SER GLY SER THR HET ACE A 295 113 ATOM 1 N GLY A -1 -33.471 35.441 13.106 1.00 42.26 N ATOM 2 CA GLY A -1 -34.584 36.293 12.717 1.00 42.21 C ATOM 3 C GLY A -1 -34.420 36.933 11.348 1.00 47.10 C ATOM 4 O GLY A -1 -34.564 36.269 10.318 1.00 42.45 O ATOM 5 HN3 GLY A -1 -32.597 36.004 13.131 1.00 0.00 H ATOM 6 HN2 GLY A -1 -33.368 34.670 12.415 1.00 0.00 H ATOM 7 HN1 GLY A -1 -33.655 35.041 14.048 1.00 0.00 H ATOM 8 N SER A 0 -34.117 38.235 11.331 1.00 45.55 N ATOM 9 CA SER A 0 -33.932 38.934 10.063 1.00 49.31 C ATOM 10 C SER A 0 -32.691 38.460 9.319 1.00 52.03 C ATOM 11 O SER A 0 -32.581 38.696 8.110 1.00 54.62 O ATOM 12 CB SER A 0 -33.851 40.448 10.290 1.00 47.18 C ATOM 13 OG SER A 0 -32.588 40.830 10.820 1.00 44.51 O ATOM 14 HG SER A 0 -32.571 41.811 10.954 1.00 0.00 H ATOM 15 H SER A 0 -34.012 38.753 12.227 1.00 0.00 H ATOM 16 N MET A 1 -31.760 37.796 10.007 1.00 51.32 N ATOM 17 CA MET A 1 -30.556 37.301 9.355 1.00 48.67 C ATOM 18 C MET A 1 -30.782 36.001 8.592 1.00 38.88 C ATOM 19 O MET A 1 -29.898 35.592 7.832 1.00 37.17 O ATOM 20 CB MET A 1 -29.437 37.125 10.385 1.00 49.00 C ATOM 21 CG MET A 1 -28.926 38.452 10.937 1.00 58.05 C ATOM 22 SD MET A 1 -27.228 38.405 11.544 1.00 65.82 S ATOM 23 CE MET A 1 -26.981 40.128 11.971 1.00 67.22 C ATOM 24 H MET A 1 -31.897 37.630 11.024 1.00 0.00 H ATOM 25 N VAL A 2 -31.944 35.360 8.754 1.00 44.10 N ATOM 26 CA VAL A 2 -32.233 34.141 8.000 1.00 42.85 C ATOM 27 C VAL A 2 -32.277 34.429 6.499 1.00 42.85 C ATOM 28 O VAL A 2 -31.772 33.642 5.689 1.00 49.42 O ATOM 29 CB VAL A 2 -33.543 33.504 8.505 1.00 45.75 C ATOM 30 CG1 VAL A 2 -33.892 32.267 7.692 1.00 42.20 C ATOM 31 CG2 VAL A 2 -33.431 33.155 9.984 1.00 45.94 C ATOM 32 H VAL A 2 -32.649 35.732 9.422 1.00 0.00 H ATOM 33 N ALA A 3 -32.843 35.575 6.105 1.00 34.56 N ATOM 34 CA ALA A 3 -33.051 35.904 4.695 1.00 32.15 C ATOM 35 C ALA A 3 -31.792 36.454 4.028 1.00 31.44 C ATOM 36 O ALA A 3 -31.827 37.504 3.377 1.00 28.18 O ATOM 37 CB ALA A 3 -34.198 36.904 4.552 1.00 35.51 C ATOM 38 H ALA A 3 -33.147 36.258 6.828 1.00 0.00 H ATOM 39 N THR A 4 -30.676 35.744 4.174 1.00 25.55 N ATOM 40 CA THR A 4 -29.410 36.148 3.588 1.00 24.33 C ATOM 41 C THR A 4 -28.735 34.920 2.991 1.00 23.34 C ATOM 42 O THR A 4 -29.109 33.785 3.282 1.00 22.13 O ATOM 43 CB THR A 4 -28.488 36.817 4.629 1.00 27.48 C ATOM 44 OG1 THR A 4 -28.255 35.919 5.720 1.00 26.49 O ATOM 45 CG2 THR A 4 -29.116 38.101 5.179 1.00 31.49 C ATOM 46 HG1 THR A 4 -29.118 35.689 6.147 1.00 0.00 H ATOM 47 H THR A 4 -30.712 34.865 4.729 1.00 0.00 H ATOM 48 N VAL A 5 -27.742 35.157 2.137 1.00 24.54 N ATOM 49 CA VAL A 5 -26.831 34.110 1.691 1.00 21.28 C ATOM 50 C VAL A 5 -25.423 34.535 2.073 1.00 22.73 C ATOM 51 O VAL A 5 -25.127 35.721 2.219 1.00 21.63 O ATOM 52 CB VAL A 5 -26.897 33.837 0.170 1.00 26.13 C ATOM 53 CG1 VAL A 5 -28.269 33.327 -0.242 1.00 31.89 C ATOM 54 CG2 VAL A 5 -26.493 35.081 -0.616 1.00 23.58 C ATOM 55 H VAL A 5 -27.611 36.123 1.775 1.00 0.00 H ATOM 56 N LYS A 6 -24.540 33.553 2.207 1.00 23.95 N ATOM 57 CA LYS A 6 -23.140 33.839 2.471 1.00 22.96 C ATOM 58 C LYS A 6 -22.339 33.766 1.176 1.00 22.23 C ATOM 59 O LYS A 6 -22.602 32.925 0.313 1.00 21.97 O ATOM 60 CB LYS A 6 -22.571 32.873 3.511 1.00 25.87 C ATOM 61 CG LYS A 6 -23.270 32.984 4.851 1.00 32.23 C ATOM 62 CD LYS A 6 -22.648 32.057 5.886 1.00 41.12 C ATOM 63 CE LYS A 6 -23.473 32.045 7.168 1.00 51.08 C ATOM 64 NZ LYS A 6 -22.983 31.039 8.154 1.00 62.14 N ATOM 65 HZ1 LYS A 6 -23.032 30.090 7.732 1.00 0.00 H ATOM 66 HZ2 LYS A 6 -21.998 31.256 8.409 1.00 0.00 H ATOM 67 HZ3 LYS A 6 -23.578 31.072 9.006 1.00 0.00 H ATOM 68 H LYS A 6 -24.854 32.565 2.122 1.00 0.00 H ATOM 69 N ARG A 7 -21.374 34.666 1.041 1.00 21.52 N ATOM 70 CA ARG A 7 -20.406 34.616 -0.042 1.00 17.65 C ATOM 71 C ARG A 7 -19.026 34.836 0.551 1.00 17.49 C ATOM 72 O ARG A 7 -18.871 35.558 1.540 1.00 20.19 O ATOM 73 CB ARG A 7 -20.670 35.684 -1.121 1.00 22.02 C ATOM 74 CG ARG A 7 -21.905 35.438 -1.989 1.00 22.10 C ATOM 75 CD ARG A 7 -21.731 34.202 -2.884 1.00 20.62 C ATOM 76 NE ARG A 7 -22.860 34.032 -3.799 1.00 24.80 N ATOM 77 CZ ARG A 7 -23.905 33.252 -3.547 1.00 28.78 C ATOM 78 NH1 ARG A 7 -23.967 32.579 -2.402 1.00 28.64 N ATOM 79 NH2 ARG A 7 -24.890 33.148 -4.431 1.00 24.72 N ATOM 80 HE ARG A 7 -22.843 34.552 -4.699 1.00 0.00 H ATOM 81 HH12 ARG A 7 -24.784 31.967 -2.202 1.00 0.00 H ATOM 82 HH11 ARG A 7 -23.198 32.664 -1.707 1.00 0.00 H ATOM 83 HH22 ARG A 7 -25.707 32.536 -4.230 1.00 0.00 H ATOM 84 HH21 ARG A 7 -24.845 33.678 -5.324 1.00 0.00 H ATOM 85 H ARG A 7 -21.308 35.437 1.736 1.00 0.00 H ATOM 86 N THR A 8 -18.026 34.213 -0.065 1.00 20.44 N ATOM 87 CA THR A 8 -16.638 34.395 0.330 1.00 21.90 C ATOM 88 C THR A 8 -15.968 35.357 -0.643 1.00 18.98 C ATOM 89 O THR A 8 -16.003 35.147 -1.862 1.00 20.45 O ATOM 90 CB THR A 8 -15.881 33.065 0.349 1.00 23.49 C ATOM 91 OG1 THR A 8 -16.473 32.179 1.305 1.00 23.37 O ATOM 92 CG2 THR A 8 -14.433 33.295 0.718 1.00 26.78 C ATOM 93 HG1 THR A 8 -17.418 32.014 1.059 1.00 0.00 H ATOM 94 H THR A 8 -18.244 33.574 -0.856 1.00 0.00 H ATOM 95 N ILE A 9 -15.359 36.405 -0.112 1.00 18.12 N ATOM 96 CA ILE A 9 -14.571 37.301 -0.945 1.00 19.02 C ATOM 97 C ILE A 9 -13.108 37.079 -0.601 1.00 21.64 C ATOM 98 O ILE A 9 -12.763 36.684 0.519 1.00 22.40 O ATOM 99 CB ILE A 9 -14.981 38.774 -0.775 1.00 24.68 C ATOM 100 CG1 ILE A 9 -14.662 39.260 0.632 1.00 22.56 C ATOM 101 CG2 ILE A 9 -16.486 38.943 -1.093 1.00 20.08 C ATOM 102 CD1 ILE A 9 -14.751 40.778 0.778 1.00 26.43 C ATOM 103 H ILE A 9 -15.444 36.590 0.908 1.00 0.00 H ATOM 104 N ARG A 10 -12.244 37.314 -1.578 1.00 18.84 N ATOM 105 CA ARG A 10 -10.817 37.081 -1.406 1.00 23.08 C ATOM 106 C ARG A 10 -10.090 38.401 -1.621 1.00 21.97 C ATOM 107 O ARG A 10 -10.199 39.006 -2.691 1.00 16.97 O ATOM 108 CB ARG A 10 -10.316 36.007 -2.372 1.00 20.92 C ATOM 109 CG ARG A 10 -8.828 35.720 -2.246 1.00 24.04 C ATOM 110 CD ARG A 10 -8.399 34.667 -3.243 1.00 28.77 C ATOM 111 NE ARG A 10 -8.741 33.322 -2.799 1.00 26.83 N ATOM 112 CZ ARG A 10 -8.828 32.276 -3.610 1.00 27.82 C ATOM 113 NH1 ARG A 10 -8.610 32.431 -4.912 1.00 29.18 N ATOM 114 NH2 ARG A 10 -9.136 31.076 -3.123 1.00 30.34 N ATOM 115 HE ARG A 10 -8.928 33.173 -1.787 1.00 0.00 H ATOM 116 HH12 ARG A 10 -8.677 31.614 -5.551 1.00 0.00 H ATOM 117 HH11 ARG A 10 -8.372 33.370 -5.291 1.00 0.00 H ATOM 118 HH22 ARG A 10 -9.204 30.258 -3.761 1.00 0.00 H ATOM 119 HH21 ARG A 10 -9.309 30.957 -2.104 1.00 0.00 H ATOM 120 H ARG A 10 -12.593 37.673 -2.489 1.00 0.00 H ATOM 121 N ILE A 11 -9.380 38.854 -0.594 1.00 19.38 N ATOM 122 CA ILE A 11 -8.592 40.077 -0.662 1.00 19.43 C ATOM 123 C ILE A 11 -7.167 39.700 -1.047 1.00 23.22 C ATOM 124 O ILE A 11 -6.555 38.824 -0.424 1.00 22.38 O ATOM 125 CB ILE A 11 -8.642 40.829 0.677 1.00 20.03 C ATOM 126 CG1 ILE A 11 -10.106 41.119 1.048 1.00 19.16 C ATOM 127 CG2 ILE A 11 -7.882 42.134 0.591 1.00 21.38 C ATOM 128 CD1 ILE A 11 -10.265 41.917 2.321 1.00 27.66 C ATOM 129 H ILE A 11 -9.387 38.314 0.295 1.00 0.00 H ATOM 130 N LYS A 12 -6.649 40.341 -2.091 1.00 19.60 N ATOM 131 CA LYS A 12 -5.382 39.954 -2.702 1.00 20.11 C ATOM 132 C LYS A 12 -4.409 41.111 -2.566 1.00 22.27 C ATOM 133 O LYS A 12 -4.675 42.209 -3.060 1.00 18.31 O ATOM 134 CB LYS A 12 -5.584 39.575 -4.169 1.00 25.60 C ATOM 135 CG LYS A 12 -6.536 38.400 -4.355 1.00 22.66 C ATOM 136 CD LYS A 12 -6.889 38.180 -5.816 1.00 30.03 C ATOM 137 CE LYS A 12 -5.714 37.668 -6.608 1.00 31.24 C ATOM 138 NZ LYS A 12 -6.137 37.382 -8.003 1.00 36.00 N ATOM 139 HZ1 LYS A 12 -6.888 36.663 -7.996 1.00 0.00 H ATOM 140 HZ2 LYS A 12 -6.495 38.255 -8.441 1.00 0.00 H ATOM 141 HZ3 LYS A 12 -5.323 37.029 -8.545 1.00 0.00 H ATOM 142 H LYS A 12 -7.168 41.150 -2.488 1.00 0.00 H ATOM 143 N THR A 13 -3.284 40.861 -1.907 1.00 22.50 N ATOM 144 CA THR A 13 -2.326 41.900 -1.584 1.00 21.16 C ATOM 145 C THR A 13 -0.974 41.538 -2.182 1.00 20.19 C ATOM 146 O THR A 13 -0.561 40.375 -2.138 1.00 18.73 O ATOM 147 CB THR A 13 -2.206 42.073 -0.065 1.00 25.25 C ATOM 148 OG1 THR A 13 -3.506 42.328 0.500 1.00 22.30 O ATOM 149 CG2 THR A 13 -1.270 43.221 0.265 1.00 20.40 C ATOM 150 HG1 THR A 13 -4.106 41.565 0.303 1.00 0.00 H ATOM 151 H THR A 13 -3.083 39.884 -1.612 1.00 0.00 H ATOM 152 N GLN A 14 -0.297 42.538 -2.750 1.00 21.71 N ATOM 153 CA GLN A 14 1.062 42.369 -3.254 1.00 23.43 C ATOM 154 C GLN A 14 1.905 43.565 -2.832 1.00 20.43 C ATOM 155 O GLN A 14 1.380 44.656 -2.631 1.00 17.64 O ATOM 156 CB GLN A 14 1.093 42.229 -4.780 1.00 28.23 C ATOM 157 CG GLN A 14 0.337 41.022 -5.296 1.00 38.85 C ATOM 158 CD GLN A 14 0.553 40.783 -6.777 1.00 54.83 C ATOM 159 OE1 GLN A 14 0.699 41.724 -7.557 1.00 59.77 O ATOM 160 NE2 GLN A 14 0.578 39.516 -7.172 1.00 62.44 N ATOM 161 HE22 GLN A 14 0.450 38.752 -6.478 1.00 0.00 H ATOM 162 HE21 GLN A 14 0.725 39.287 -8.176 1.00 0.00 H ATOM 163 H GLN A 14 -0.753 43.469 -2.836 1.00 0.00 H ATOM 164 N GLN A 15 3.223 43.359 -2.707 1.00 21.19 N ATOM 165 CA GLN A 15 4.097 44.448 -2.281 1.00 17.30 C ATOM 166 C GLN A 15 5.532 44.147 -2.691 1.00 21.01 C ATOM 167 O GLN A 15 5.942 42.987 -2.735 1.00 20.48 O ATOM 168 CB GLN A 15 4.026 44.670 -0.762 1.00 19.36 C ATOM 169 CG GLN A 15 4.457 43.466 0.096 1.00 23.35 C ATOM 170 CD GLN A 15 5.955 43.390 0.372 1.00 27.27 C ATOM 171 OE1 GLN A 15 6.696 44.347 0.149 1.00 24.75 O ATOM 172 NE2 GLN A 15 6.404 42.237 0.864 1.00 28.54 N ATOM 173 HE22 GLN A 15 5.743 41.453 1.038 1.00 0.00 H ATOM 174 HE21 GLN A 15 7.416 42.120 1.075 1.00 0.00 H ATOM 175 H GLN A 15 3.624 42.422 -2.914 1.00 0.00 H ATOM 176 N HIS A 16 6.290 45.208 -2.971 1.00 23.35 N ATOM 177 CA HIS A 16 7.714 45.071 -3.263 1.00 24.24 C ATOM 178 C HIS A 16 8.422 46.386 -2.958 1.00 23.60 C ATOM 179 O HIS A 16 7.815 47.457 -2.988 1.00 24.32 O ATOM 180 CB HIS A 16 7.949 44.657 -4.722 1.00 26.13 C ATOM 181 CG HIS A 16 7.586 45.714 -5.721 1.00 34.02 C ATOM 182 ND1 HIS A 16 8.499 46.631 -6.200 1.00 42.58 N ATOM 183 CD2 HIS A 16 6.412 45.998 -6.335 1.00 39.99 C ATOM 184 CE1 HIS A 16 7.902 47.435 -7.062 1.00 37.85 C ATOM 185 NE2 HIS A 16 6.635 47.073 -7.162 1.00 46.54 N ATOM 186 H HIS A 16 5.857 46.154 -2.982 1.00 0.00 H ATOM 187 N ILE A 17 9.730 46.299 -2.684 1.00 26.32 N ATOM 188 CA ILE A 17 10.504 47.491 -2.340 1.00 25.18 C ATOM 189 C ILE A 17 10.699 48.384 -3.562 1.00 18.74 C ATOM 190 O ILE A 17 10.922 47.904 -4.679 1.00 26.40 O ATOM 191 CB ILE A 17 11.863 47.090 -1.740 1.00 25.11 C ATOM 192 CG1 ILE A 17 11.662 46.391 -0.394 1.00 26.18 C ATOM 193 CG2 ILE A 17 12.783 48.315 -1.592 1.00 22.70 C ATOM 194 CD1 ILE A 17 12.951 45.961 0.281 1.00 30.56 C ATOM 195 H ILE A 17 10.201 45.372 -2.716 1.00 0.00 H ATOM 196 N LEU A 18 10.616 49.703 -3.351 1.00 20.62 N ATOM 197 CA LEU A 18 11.023 50.689 -4.341 1.00 25.66 C ATOM 198 C LEU A 18 12.423 51.195 -3.983 1.00 23.86 C ATOM 199 O LEU A 18 12.555 52.053 -3.101 1.00 25.02 O ATOM 200 CB LEU A 18 10.030 51.851 -4.391 1.00 25.01 C ATOM 201 CG LEU A 18 8.589 51.534 -4.785 1.00 21.49 C ATOM 202 CD1 LEU A 18 7.762 52.784 -4.670 1.00 27.08 C ATOM 203 CD2 LEU A 18 8.547 50.970 -6.205 1.00 28.21 C ATOM 204 H LEU A 18 10.244 50.038 -2.439 1.00 0.00 H ATOM 205 N PRO A 19 13.489 50.704 -4.617 1.00 25.39 N ATOM 206 CA PRO A 19 14.842 51.164 -4.229 1.00 25.96 C ATOM 207 C PRO A 19 15.115 52.637 -4.515 1.00 27.73 C ATOM 208 O PRO A 19 16.001 53.216 -3.873 1.00 26.93 O ATOM 209 CB PRO A 19 15.771 50.255 -5.047 1.00 27.33 C ATOM 210 CG PRO A 19 14.946 49.016 -5.298 1.00 28.70 C ATOM 211 CD PRO A 19 13.542 49.534 -5.512 1.00 30.85 C ATOM 212 N GLU A 20 14.403 53.268 -5.450 1.00 25.83 N ATOM 213 CA GLU A 20 14.707 54.664 -5.749 1.00 29.40 C ATOM 214 C GLU A 20 14.133 55.624 -4.715 1.00 26.32 C ATOM 215 O GLU A 20 14.429 56.820 -4.774 1.00 24.95 O ATOM 216 CB GLU A 20 14.196 55.052 -7.144 1.00 30.45 C ATOM 217 CG GLU A 20 12.696 55.248 -7.257 1.00 30.57 C ATOM 218 CD GLU A 20 11.934 53.941 -7.453 1.00 38.70 C ATOM 219 OE1 GLU A 20 12.512 52.855 -7.211 1.00 37.24 O ATOM 220 OE2 GLU A 20 10.756 54.004 -7.867 1.00 41.91 O ATOM 221 H GLU A 20 13.643 52.773 -5.958 1.00 0.00 H ATOM 222 N VAL A 21 13.343 55.130 -3.774 1.00 23.93 N ATOM 223 CA VAL A 21 12.755 55.945 -2.716 1.00 23.50 C ATOM 224 C VAL A 21 13.622 55.806 -1.470 1.00 23.94 C ATOM 225 O VAL A 21 13.868 54.673 -1.029 1.00 24.41 O ATOM 226 CB VAL A 21 11.308 55.520 -2.422 1.00 24.19 C ATOM 227 CG1 VAL A 21 10.675 56.472 -1.427 1.00 30.51 C ATOM 228 CG2 VAL A 21 10.498 55.473 -3.716 1.00 24.42 C ATOM 229 H VAL A 21 13.131 54.112 -3.790 1.00 0.00 H ATOM 230 N PRO A 22 14.109 56.901 -0.894 1.00 25.41 N ATOM 231 CA PRO A 22 14.960 56.799 0.292 1.00 24.18 C ATOM 232 C PRO A 22 14.234 56.101 1.427 1.00 25.13 C ATOM 233 O PRO A 22 13.065 56.402 1.719 1.00 25.20 O ATOM 234 CB PRO A 22 15.258 58.266 0.637 1.00 30.49 C ATOM 235 CG PRO A 22 15.108 58.988 -0.661 1.00 24.99 C ATOM 236 CD PRO A 22 14.006 58.286 -1.387 1.00 25.41 C ATOM 237 N PRO A 23 14.895 55.157 2.091 1.00 25.12 N ATOM 238 CA PRO A 23 14.278 54.505 3.248 1.00 21.73 C ATOM 239 C PRO A 23 13.934 55.523 4.325 1.00 24.19 C ATOM 240 O PRO A 23 14.587 56.560 4.466 1.00 27.96 O ATOM 241 CB PRO A 23 15.365 53.532 3.729 1.00 23.86 C ATOM 242 CG PRO A 23 16.257 53.339 2.552 1.00 26.05 C ATOM 243 CD PRO A 23 16.247 54.642 1.816 1.00 29.02 C ATOM 244 N VAL A 24 12.900 55.217 5.089 1.00 27.38 N ATOM 245 CA VAL A 24 12.483 56.041 6.217 1.00 25.70 C ATOM 246 C VAL A 24 12.980 55.369 7.492 1.00 26.39 C ATOM 247 O VAL A 24 12.553 54.256 7.820 1.00 27.29 O ATOM 248 CB VAL A 24 10.959 56.228 6.242 1.00 30.84 C ATOM 249 CG1 VAL A 24 10.561 57.172 7.361 1.00 36.48 C ATOM 250 CG2 VAL A 24 10.439 56.740 4.886 1.00 30.85 C ATOM 251 H VAL A 24 12.362 54.353 4.877 1.00 0.00 H ATOM 252 N GLU A 25 13.874 56.047 8.210 1.00 28.17 N ATOM 253 CA GLU A 25 14.499 55.508 9.420 1.00 26.26 C ATOM 254 C GLU A 25 15.066 54.113 9.172 1.00 28.42 C ATOM 255 O GLU A 25 14.887 53.193 9.972 1.00 30.93 O ATOM 256 CB GLU A 25 13.517 55.505 10.592 1.00 26.34 C ATOM 257 CG GLU A 25 13.018 56.897 10.938 1.00 33.32 C ATOM 258 CD GLU A 25 12.130 56.924 12.166 1.00 39.15 C ATOM 259 OE1 GLU A 25 12.231 56.010 13.014 1.00 40.77 O ATOM 260 OE2 GLU A 25 11.331 57.870 12.281 1.00 39.36 O ATOM 261 H GLU A 25 14.140 57.002 7.897 1.00 0.00 H ATOM 262 N ASN A 26 15.754 53.959 8.039 1.00 23.32 N ATOM 263 CA ASN A 26 16.345 52.713 7.556 1.00 32.73 C ATOM 264 C ASN A 26 15.312 51.699 7.085 1.00 24.22 C ATOM 265 O ASN A 26 15.703 50.605 6.675 1.00 23.85 O ATOM 266 CB ASN A 26 17.242 52.040 8.604 1.00 30.19 C ATOM 267 CG ASN A 26 18.419 52.890 8.975 1.00 29.94 C ATOM 268 OD1 ASN A 26 19.054 53.491 8.110 1.00 27.84 O ATOM 269 ND2 ASN A 26 18.713 52.964 10.266 1.00 35.80 N ATOM 270 HD22 ASN A 26 18.145 52.436 10.960 1.00 0.00 H ATOM 271 HD21 ASN A 26 19.511 53.550 10.585 1.00 0.00 H ATOM 272 H ASN A 26 15.881 54.803 7.445 1.00 0.00 H ATOM 273 N PHE A 27 13.993 52.021 7.128 1.00 23.91 N ATOM 274 CA PHE A 27 13.005 51.097 6.586 1.00 22.31 C ATOM 275 C PHE A 27 12.753 51.409 5.117 1.00 27.17 C ATOM 276 O PHE A 27 12.445 52.557 4.780 1.00 21.04 O ATOM 277 CB PHE A 27 11.689 51.187 7.347 1.00 25.55 C ATOM 278 CG PHE A 27 11.768 50.676 8.760 1.00 29.51 C ATOM 279 CD1 PHE A 27 11.486 49.350 9.049 1.00 33.40 C ATOM 280 CD2 PHE A 27 12.121 51.518 9.798 1.00 35.72 C ATOM 281 CE1 PHE A 27 11.562 48.872 10.358 1.00 34.55 C ATOM 282 CE2 PHE A 27 12.193 51.050 11.100 1.00 41.13 C ATOM 283 CZ PHE A 27 11.914 49.725 11.380 1.00 34.80 C ATOM 284 H PHE A 27 13.689 52.924 7.546 1.00 0.00 H ATOM 285 N PRO A 28 12.826 50.425 4.230 1.00 22.79 N ATOM 286 CA PRO A 28 12.602 50.705 2.810 1.00 18.47 C ATOM 287 C PRO A 28 11.150 51.062 2.534 1.00 26.09 C ATOM 288 O PRO A 28 10.229 50.597 3.213 1.00 25.54 O ATOM 289 CB PRO A 28 12.979 49.387 2.131 1.00 21.23 C ATOM 290 CG PRO A 28 12.653 48.356 3.166 1.00 22.00 C ATOM 291 CD PRO A 28 12.983 48.984 4.497 1.00 23.35 C ATOM 292 N VAL A 29 10.948 51.889 1.516 1.00 20.64 N ATOM 293 CA VAL A 29 9.599 52.213 1.064 1.00 23.84 C ATOM 294 C VAL A 29 9.199 51.197 0.006 1.00 24.62 C ATOM 295 O VAL A 29 10.003 50.851 -0.874 1.00 25.52 O ATOM 296 CB VAL A 29 9.514 53.650 0.521 1.00 21.74 C ATOM 297 CG1 VAL A 29 8.206 53.850 -0.225 1.00 26.53 C ATOM 298 CG2 VAL A 29 9.613 54.650 1.657 1.00 21.23 C ATOM 299 H VAL A 29 11.765 52.313 1.032 1.00 0.00 H ATOM 300 N ARG A 30 7.972 50.695 0.118 1.00 16.56 N ATOM 301 CA ARG A 30 7.449 49.647 -0.736 1.00 23.39 C ATOM 302 C ARG A 30 6.219 50.136 -1.483 1.00 23.86 C ATOM 303 O ARG A 30 5.441 50.943 -0.972 1.00 22.96 O ATOM 304 CB ARG A 30 7.072 48.417 0.076 1.00 24.76 C ATOM 305 CG ARG A 30 8.185 47.927 0.960 1.00 23.84 C ATOM 306 CD ARG A 30 7.726 46.852 1.890 1.00 28.39 C ATOM 307 NE ARG A 30 8.841 46.348 2.685 1.00 26.64 N ATOM 308 CZ ARG A 30 9.538 45.259 2.388 1.00 28.32 C ATOM 309 NH1 ARG A 30 9.231 44.539 1.315 1.00 21.92 N ATOM 310 NH2 ARG A 30 10.544 44.892 3.168 1.00 26.86 N ATOM 311 HE ARG A 30 9.107 46.877 3.540 1.00 0.00 H ATOM 312 HH12 ARG A 30 9.780 43.686 1.086 1.00 0.00 H ATOM 313 HH11 ARG A 30 8.441 44.828 0.703 1.00 0.00 H ATOM 314 HH22 ARG A 30 11.094 44.039 2.940 1.00 0.00 H ATOM 315 HH21 ARG A 30 10.784 45.457 4.008 1.00 0.00 H ATOM 316 H ARG A 30 7.352 51.076 0.861 1.00 0.00 H ATOM 317 N GLN A 31 6.056 49.642 -2.703 1.00 24.56 N ATOM 318 CA GLN A 31 4.808 49.810 -3.433 1.00 25.51 C ATOM 319 C GLN A 31 3.906 48.647 -3.056 1.00 21.68 C ATOM 320 O GLN A 31 4.346 47.493 -3.056 1.00 20.47 O ATOM 321 CB GLN A 31 5.064 49.834 -4.939 1.00 28.02 C ATOM 322 CG GLN A 31 3.812 49.833 -5.801 1.00 35.26 C ATOM 323 CD GLN A 31 3.540 51.181 -6.434 1.00 49.63 C ATOM 324 OE1 GLN A 31 3.650 52.219 -5.785 1.00 53.84 O ATOM 325 NE2 GLN A 31 3.189 51.171 -7.714 1.00 64.66 N ATOM 326 HE22 GLN A 31 3.108 50.268 -8.224 1.00 0.00 H ATOM 327 HE21 GLN A 31 2.995 52.066 -8.207 1.00 0.00 H ATOM 328 H GLN A 31 6.839 49.122 -3.149 1.00 0.00 H ATOM 329 N TRP A 32 2.667 48.935 -2.683 1.00 20.16 N ATOM 330 CA TRP A 32 1.770 47.831 -2.391 1.00 17.31 C ATOM 331 C TRP A 32 0.443 48.041 -3.098 1.00 17.88 C ATOM 332 O TRP A 32 0.070 49.165 -3.440 1.00 17.78 O ATOM 333 CB TRP A 32 1.565 47.629 -0.885 1.00 17.01 C ATOM 334 CG TRP A 32 1.163 48.824 -0.062 1.00 20.92 C ATOM 335 CD1 TRP A 32 1.984 49.594 0.706 1.00 23.64 C ATOM 336 CD2 TRP A 32 -0.166 49.334 0.138 1.00 21.71 C ATOM 337 NE1 TRP A 32 1.262 50.567 1.351 1.00 23.53 N ATOM 338 CE2 TRP A 32 -0.060 50.432 1.016 1.00 23.14 C ATOM 339 CE3 TRP A 32 -1.431 48.975 -0.350 1.00 18.05 C ATOM 340 CZ2 TRP A 32 -1.163 51.172 1.422 1.00 24.90 C ATOM 341 CZ3 TRP A 32 -2.523 49.720 0.048 1.00 18.88 C ATOM 342 CH2 TRP A 32 -2.380 50.806 0.929 1.00 22.71 C ATOM 343 HE1 TRP A 32 1.654 51.288 1.989 1.00 0.00 H ATOM 344 H TRP A 32 2.347 49.921 -2.602 1.00 0.00 H ATOM 345 N SER A 33 -0.259 46.925 -3.313 1.00 19.46 N ATOM 346 CA SER A 33 -1.537 46.919 -4.010 1.00 18.25 C ATOM 347 C SER A 33 -2.493 45.970 -3.305 1.00 18.07 C ATOM 348 O SER A 33 -2.085 44.951 -2.743 1.00 18.66 O ATOM 349 CB SER A 33 -1.384 46.503 -5.476 1.00 24.25 C ATOM 350 OG SER A 33 -0.907 45.172 -5.592 1.00 25.91 O ATOM 351 HG SER A 33 -1.546 44.554 -5.156 1.00 0.00 H ATOM 352 H SER A 33 0.124 46.022 -2.968 1.00 0.00 H ATOM 353 N ILE A 34 -3.777 46.327 -3.324 1.00 16.63 N ATOM 354 CA ILE A 34 -4.833 45.457 -2.832 1.00 18.58 C ATOM 355 C ILE A 34 -5.915 45.379 -3.901 1.00 17.99 C ATOM 356 O ILE A 34 -6.245 46.387 -4.533 1.00 16.05 O ATOM 357 CB ILE A 34 -5.417 45.956 -1.495 1.00 16.08 C ATOM 358 CG1 ILE A 34 -4.326 46.108 -0.441 1.00 17.84 C ATOM 359 CG2 ILE A 34 -6.504 44.993 -0.984 1.00 16.48 C ATOM 360 CD1 ILE A 34 -4.827 46.771 0.829 1.00 18.77 C ATOM 361 H ILE A 34 -4.033 47.261 -3.704 1.00 0.00 H ATOM 362 N GLU A 35 -6.444 44.178 -4.120 1.00 18.02 N ATOM 363 CA GLU A 35 -7.583 43.969 -5.013 1.00 18.60 C ATOM 364 C GLU A 35 -8.561 43.036 -4.325 1.00 16.30 C ATOM 365 O GLU A 35 -8.197 42.292 -3.415 1.00 17.35 O ATOM 366 CB GLU A 35 -7.178 43.342 -6.352 1.00 22.05 C ATOM 367 CG GLU A 35 -6.214 44.146 -7.179 1.00 25.78 C ATOM 368 CD GLU A 35 -5.793 43.409 -8.435 1.00 31.23 C ATOM 369 OE1 GLU A 35 -5.829 42.161 -8.426 1.00 33.46 O ATOM 370 OE2 GLU A 35 -5.438 44.074 -9.433 1.00 37.71 O ATOM 371 H GLU A 35 -6.031 43.355 -3.637 1.00 0.00 H ATOM 372 N ILE A 36 -9.804 43.041 -4.794 1.00 17.64 N ATOM 373 CA ILE A 36 -10.850 42.231 -4.184 1.00 16.75 C ATOM 374 C ILE A 36 -11.550 41.449 -5.278 1.00 15.94 C ATOM 375 O ILE A 36 -11.966 42.027 -6.289 1.00 13.88 O ATOM 376 CB ILE A 36 -11.861 43.091 -3.407 1.00 21.15 C ATOM 377 CG1 ILE A 36 -11.149 43.824 -2.264 1.00 22.56 C ATOM 378 CG2 ILE A 36 -12.994 42.218 -2.854 1.00 18.77 C ATOM 379 CD1 ILE A 36 -12.019 44.848 -1.595 1.00 22.36 C ATOM 380 H ILE A 36 -10.035 43.636 -5.615 1.00 0.00 H ATOM 381 N VAL A 37 -11.677 40.137 -5.079 1.00 17.60 N ATOM 382 CA VAL A 37 -12.429 39.290 -5.991 1.00 20.04 C ATOM 383 C VAL A 37 -13.460 38.516 -5.184 1.00 20.44 C ATOM 384 O VAL A 37 -13.413 38.457 -3.953 1.00 18.56 O ATOM 385 CB VAL A 37 -11.535 38.320 -6.799 1.00 24.87 C ATOM 386 CG1 VAL A 37 -10.533 39.095 -7.678 1.00 21.44 C ATOM 387 CG2 VAL A 37 -10.822 37.315 -5.876 1.00 19.95 C ATOM 388 H VAL A 37 -11.225 39.707 -4.247 1.00 0.00 H ATOM 389 N LEU A 38 -14.420 37.951 -5.899 1.00 18.11 N ATOM 390 CA LEU A 38 -15.420 37.079 -5.313 1.00 18.91 C ATOM 391 C LEU A 38 -15.086 35.644 -5.693 1.00 22.61 C ATOM 392 O LEU A 38 -14.502 35.387 -6.749 1.00 25.12 O ATOM 393 CB LEU A 38 -16.814 37.464 -5.811 1.00 19.27 C ATOM 394 CG LEU A 38 -18.086 36.706 -5.445 1.00 25.65 C ATOM 395 CD1 LEU A 38 -18.347 36.732 -3.949 1.00 23.93 C ATOM 396 CD2 LEU A 38 -19.239 37.350 -6.201 1.00 19.41 C ATOM 397 H LEU A 38 -14.459 38.140 -6.921 1.00 0.00 H ATOM 398 N LEU A 39 -15.428 34.712 -4.812 1.00 21.20 N ATOM 399 CA LEU A 39 -15.281 33.295 -5.105 1.00 23.50 C ATOM 400 C LEU A 39 -16.648 32.712 -5.406 1.00 26.79 C ATOM 401 O LEU A 39 -17.644 33.088 -4.776 1.00 24.96 O ATOM 402 CB LEU A 39 -14.638 32.540 -3.942 1.00 22.29 C ATOM 403 CG LEU A 39 -13.250 32.963 -3.471 1.00 26.67 C ATOM 404 CD1 LEU A 39 -12.690 31.939 -2.500 1.00 28.68 C ATOM 405 CD2 LEU A 39 -12.318 33.164 -4.651 1.00 28.43 C ATOM 406 H LEU A 39 -15.811 35.002 -3.889 1.00 0.00 H ATOM 407 N ASP A 40 -16.700 31.801 -6.376 1.00 28.76 N ATOM 408 CA ASP A 40 -17.954 31.121 -6.644 1.00 29.15 C ATOM 409 C ASP A 40 -18.023 29.844 -5.809 1.00 35.62 C ATOM 410 O ASP A 40 -17.144 29.561 -4.990 1.00 30.69 O ATOM 411 CB ASP A 40 -18.133 30.868 -8.145 1.00 28.38 C ATOM 412 CG ASP A 40 -17.120 29.898 -8.730 1.00 33.58 C ATOM 413 OD1 ASP A 40 -16.391 29.196 -7.991 1.00 31.36 O ATOM 414 OD2 ASP A 40 -17.066 29.838 -9.974 1.00 29.61 O ATOM 415 H ASP A 40 -15.852 31.579 -6.935 1.00 0.00 H ATOM 416 N ASP A 41 -19.080 29.057 -6.013 1.00 35.32 N ATOM 417 CA ASP A 41 -19.284 27.883 -5.172 1.00 41.67 C ATOM 418 C ASP A 41 -18.239 26.808 -5.424 1.00 45.93 C ATOM 419 O ASP A 41 -18.108 25.886 -4.611 1.00 43.71 O ATOM 420 CB ASP A 41 -20.695 27.313 -5.370 1.00 43.33 C ATOM 421 CG ASP A 41 -21.133 27.295 -6.826 1.00 54.58 C ATOM 422 OD1 ASP A 41 -20.280 27.465 -7.722 1.00 56.35 O ATOM 423 OD2 ASP A 41 -22.347 27.116 -7.071 1.00 58.15 O ATOM 424 H ASP A 41 -19.757 29.280 -6.770 1.00 0.00 H ATOM 425 N GLU A 42 -17.489 26.913 -6.518 1.00 41.30 N ATOM 426 CA GLU A 42 -16.393 26.005 -6.811 1.00 43.46 C ATOM 427 C GLU A 42 -15.044 26.571 -6.391 1.00 46.06 C ATOM 428 O GLU A 42 -14.026 25.889 -6.539 1.00 43.76 O ATOM 429 CB GLU A 42 -16.381 25.664 -8.306 1.00 47.39 C ATOM 430 CG GLU A 42 -17.761 25.342 -8.870 1.00 59.56 C ATOM 431 CD GLU A 42 -17.711 24.570 -10.182 1.00 77.46 C ATOM 432 OE1 GLU A 42 -18.790 24.194 -10.689 1.00 83.72 O ATOM 433 OE2 GLU A 42 -16.600 24.336 -10.703 1.00 79.87 O ATOM 434 H GLU A 42 -17.696 27.677 -7.192 1.00 0.00 H ATOM 435 N GLY A 43 -15.011 27.796 -5.870 1.00 38.51 N ATOM 436 CA GLY A 43 -13.776 28.398 -5.413 1.00 34.44 C ATOM 437 C GLY A 43 -12.973 29.137 -6.462 1.00 27.61 C ATOM 438 O GLY A 43 -11.836 29.531 -6.178 1.00 36.63 O ATOM 439 H GLY A 43 -15.897 28.335 -5.789 1.00 0.00 H ATOM 440 N LYS A 44 -13.514 29.335 -7.659 1.00 30.00 N ATOM 441 CA LYS A 44 -12.825 30.122 -8.669 1.00 31.37 C ATOM 442 C LYS A 44 -13.083 31.610 -8.449 1.00 31.90 C ATOM 443 O LYS A 44 -14.157 32.018 -7.996 1.00 26.96 O ATOM 444 CB LYS A 44 -13.277 29.708 -10.068 1.00 38.01 C ATOM 445 CG LYS A 44 -12.998 28.237 -10.369 1.00 51.98 C ATOM 446 CD LYS A 44 -13.480 27.835 -11.752 1.00 67.51 C ATOM 447 CE LYS A 44 -13.150 26.377 -12.045 1.00 78.43 C ATOM 448 NZ LYS A 44 -13.726 25.924 -13.342 1.00 84.89 N ATOM 449 HZ1 LYS A 44 -14.761 26.024 -13.314 1.00 0.00 H ATOM 450 HZ2 LYS A 44 -13.341 26.506 -14.113 1.00 0.00 H ATOM 451 HZ3 LYS A 44 -13.477 24.927 -13.501 1.00 0.00 H ATOM 452 H LYS A 44 -14.443 28.921 -7.877 1.00 0.00 H ATOM 453 N GLU A 45 -12.081 32.426 -8.766 1.00 30.90 N ATOM 454 CA GLU A 45 -12.229 33.869 -8.615 1.00 27.00 C ATOM 455 C GLU A 45 -13.071 34.421 -9.759 1.00 30.73 C ATOM 456 O GLU A 45 -12.852 34.088 -10.927 1.00 33.70 O ATOM 457 CB GLU A 45 -10.862 34.561 -8.581 1.00 26.01 C ATOM 458 CG GLU A 45 -9.966 34.092 -7.452 1.00 29.14 C ATOM 459 CD GLU A 45 -8.605 34.770 -7.441 1.00 25.01 C ATOM 460 OE1 GLU A 45 -8.341 35.642 -8.299 1.00 30.93 O ATOM 461 OE2 GLU A 45 -7.799 34.429 -6.558 1.00 30.08 O ATOM 462 H GLU A 45 -11.187 32.033 -9.124 1.00 0.00 H ATOM 463 N ILE A 46 -14.044 35.254 -9.420 1.00 22.44 N ATOM 464 CA ILE A 46 -14.832 35.954 -10.431 1.00 24.18 C ATOM 465 C ILE A 46 -14.936 37.410 -10.004 1.00 26.82 C ATOM 466 O ILE A 46 -14.663 37.749 -8.840 1.00 21.94 O ATOM 467 CB ILE A 46 -16.226 35.310 -10.620 1.00 22.48 C ATOM 468 CG1 ILE A 46 -17.084 35.456 -9.366 1.00 23.50 C ATOM 469 CG2 ILE A 46 -16.101 33.834 -11.066 1.00 29.33 C ATOM 470 CD1 ILE A 46 -18.506 35.023 -9.588 1.00 28.13 C ATOM 471 H ILE A 46 -14.251 35.413 -8.413 1.00 0.00 H ATOM 472 N PRO A 47 -15.278 38.309 -10.925 1.00 23.61 N ATOM 473 CA PRO A 47 -15.356 39.725 -10.551 1.00 20.97 C ATOM 474 C PRO A 47 -16.410 39.950 -9.476 1.00 19.39 C ATOM 475 O PRO A 47 -17.513 39.392 -9.524 1.00 20.32 O ATOM 476 CB PRO A 47 -15.719 40.429 -11.866 1.00 21.04 C ATOM 477 CG PRO A 47 -15.280 39.470 -12.946 1.00 28.75 C ATOM 478 CD PRO A 47 -15.512 38.103 -12.370 1.00 26.18 C ATOM 479 N ALA A 48 -16.054 40.773 -8.490 1.00 18.59 N ATOM 480 CA ALA A 48 -16.942 41.072 -7.364 1.00 19.48 C ATOM 481 C ALA A 48 -17.955 42.159 -7.735 1.00 16.69 C ATOM 482 O ALA A 48 -17.994 43.236 -7.142 1.00 15.76 O ATOM 483 CB ALA A 48 -16.130 41.495 -6.143 1.00 15.04 C ATOM 484 H ALA A 48 -15.114 41.218 -8.521 1.00 0.00 H ATOM 485 N THR A 49 -18.811 41.837 -8.716 1.00 19.11 N ATOM 486 CA THR A 49 -19.833 42.761 -9.196 1.00 17.39 C ATOM 487 C THR A 49 -20.988 42.960 -8.209 1.00 16.01 C ATOM 488 O THR A 49 -21.874 43.773 -8.484 1.00 16.39 O ATOM 489 CB THR A 49 -20.389 42.265 -10.537 1.00 23.67 C ATOM 490 OG1 THR A 49 -21.124 41.050 -10.332 1.00 25.89 O ATOM 491 CG2 THR A 49 -19.256 42.014 -11.524 1.00 28.95 C ATOM 492 HG1 THR A 49 -21.482 40.732 -11.199 1.00 0.00 H ATOM 493 H THR A 49 -18.744 40.894 -9.150 1.00 0.00 H ATOM 494 N ILE A 50 -21.010 42.252 -7.079 1.00 19.28 N ATOM 495 CA ILE A 50 -22.017 42.507 -6.053 1.00 15.08 C ATOM 496 C ILE A 50 -21.771 43.799 -5.281 1.00 15.02 C ATOM 497 O ILE A 50 -22.625 44.217 -4.498 1.00 12.77 O ATOM 498 CB ILE A 50 -22.061 41.305 -5.098 1.00 15.46 C ATOM 499 CG1 ILE A 50 -20.649 41.029 -4.568 1.00 17.70 C ATOM 500 CG2 ILE A 50 -22.617 40.075 -5.844 1.00 18.98 C ATOM 501 CD1 ILE A 50 -20.606 40.181 -3.307 1.00 18.16 C ATOM 502 H ILE A 50 -20.300 41.508 -6.926 1.00 0.00 H ATOM 503 N PHE A 51 -20.619 44.434 -5.462 1.00 14.57 N ATOM 504 CA PHE A 51 -20.326 45.722 -4.843 1.00 15.33 C ATOM 505 C PHE A 51 -20.395 46.791 -5.914 1.00 17.60 C ATOM 506 O PHE A 51 -19.840 46.609 -6.995 1.00 16.00 O ATOM 507 CB PHE A 51 -18.926 45.744 -4.221 1.00 14.22 C ATOM 508 CG PHE A 51 -18.658 44.603 -3.276 1.00 15.01 C ATOM 509 CD1 PHE A 51 -19.577 44.261 -2.300 1.00 14.59 C ATOM 510 CD2 PHE A 51 -17.474 43.894 -3.351 1.00 15.47 C ATOM 511 CE1 PHE A 51 -19.328 43.197 -1.422 1.00 13.75 C ATOM 512 CE2 PHE A 51 -17.219 42.843 -2.473 1.00 15.36 C ATOM 513 CZ PHE A 51 -18.145 42.499 -1.513 1.00 17.54 C ATOM 514 H PHE A 51 -19.897 43.996 -6.069 1.00 0.00 H ATOM 515 N ASP A 52 -21.067 47.906 -5.643 1.00 13.79 N ATOM 516 CA ASP A 52 -20.882 48.995 -6.587 1.00 20.86 C ATOM 517 C ASP A 52 -19.835 49.995 -6.111 1.00 15.13 C ATOM 518 O ASP A 52 -19.516 50.927 -6.849 1.00 21.87 O ATOM 519 CB ASP A 52 -22.210 49.692 -6.917 1.00 29.86 C ATOM 520 CG ASP A 52 -22.925 50.198 -5.710 1.00 27.59 C ATOM 521 OD1 ASP A 52 -22.323 50.193 -4.619 1.00 29.12 O ATOM 522 OD2 ASP A 52 -24.102 50.601 -5.856 1.00 33.60 O ATOM 523 H ASP A 52 -21.684 47.993 -4.810 1.00 0.00 H ATOM 524 N LYS A 53 -19.282 49.815 -4.911 1.00 13.96 N ATOM 525 CA LYS A 53 -18.241 50.724 -4.426 1.00 15.17 C ATOM 526 C LYS A 53 -17.416 50.031 -3.351 1.00 15.65 C ATOM 527 O LYS A 53 -17.962 49.285 -2.537 1.00 13.27 O ATOM 528 CB LYS A 53 -18.876 52.009 -3.863 1.00 17.37 C ATOM 529 CG LYS A 53 -17.917 53.092 -3.418 1.00 22.53 C ATOM 530 CD LYS A 53 -18.632 54.458 -3.433 1.00 31.06 C ATOM 531 CE LYS A 53 -19.441 54.723 -2.175 1.00 35.86 C ATOM 532 NZ LYS A 53 -20.031 56.104 -2.198 1.00 39.30 N ATOM 533 HZ1 LYS A 53 -19.266 56.806 -2.258 1.00 0.00 H ATOM 534 HZ2 LYS A 53 -20.656 56.199 -3.024 1.00 0.00 H ATOM 535 HZ3 LYS A 53 -20.579 56.260 -1.328 1.00 0.00 H ATOM 536 H LYS A 53 -19.593 49.022 -4.314 1.00 0.00 H ATOM 537 N VAL A 54 -16.108 50.307 -3.334 1.00 13.03 N ATOM 538 CA VAL A 54 -15.207 49.890 -2.261 1.00 13.79 C ATOM 539 C VAL A 54 -14.446 51.126 -1.800 1.00 13.19 C ATOM 540 O VAL A 54 -13.996 51.917 -2.634 1.00 16.44 O ATOM 541 CB VAL A 54 -14.222 48.804 -2.732 1.00 15.46 C ATOM 542 CG1 VAL A 54 -13.176 48.534 -1.671 1.00 17.50 C ATOM 543 CG2 VAL A 54 -14.979 47.510 -3.088 1.00 13.80 C ATOM 544 H VAL A 54 -15.710 50.848 -4.128 1.00 0.00 H ATOM 545 N ILE A 55 -14.322 51.311 -0.485 1.00 15.16 N ATOM 546 CA ILE A 55 -13.538 52.421 0.074 1.00 16.78 C ATOM 547 C ILE A 55 -12.495 51.831 1.005 1.00 16.58 C ATOM 548 O ILE A 55 -12.837 51.192 2.007 1.00 16.11 O ATOM 549 CB ILE A 55 -14.408 53.452 0.817 1.00 18.16 C ATOM 550 CG1 ILE A 55 -15.591 53.898 -0.043 1.00 15.87 C ATOM 551 CG2 ILE A 55 -13.564 54.695 1.220 1.00 15.16 C ATOM 552 CD1 ILE A 55 -16.592 54.821 0.666 1.00 21.02 C ATOM 553 H ILE A 55 -14.794 50.650 0.164 1.00 0.00 H ATOM 554 N TYR A 56 -11.224 52.051 0.684 1.00 19.99 N ATOM 555 CA TYR A 56 -10.139 51.643 1.556 1.00 18.41 C ATOM 556 C TYR A 56 -9.912 52.757 2.565 1.00 17.24 C ATOM 557 O TYR A 56 -9.699 53.912 2.184 1.00 21.95 O ATOM 558 CB TYR A 56 -8.868 51.367 0.755 1.00 16.01 C ATOM 559 CG TYR A 56 -9.002 50.210 -0.201 1.00 14.08 C ATOM 560 CD1 TYR A 56 -8.689 48.920 0.201 1.00 13.84 C ATOM 561 CD2 TYR A 56 -9.432 50.407 -1.508 1.00 15.66 C ATOM 562 CE1 TYR A 56 -8.808 47.853 -0.663 1.00 17.14 C ATOM 563 CE2 TYR A 56 -9.550 49.343 -2.386 1.00 16.11 C ATOM 564 CZ TYR A 56 -9.235 48.060 -1.951 1.00 17.71 C ATOM 565 OH TYR A 56 -9.339 46.981 -2.815 1.00 19.02 O ATOM 566 HH TYR A 56 -8.739 47.121 -3.590 1.00 0.00 H ATOM 567 H TYR A 56 -11.002 52.527 -0.214 1.00 0.00 H ATOM 568 N HIS A 57 -9.973 52.418 3.846 1.00 18.92 N ATOM 569 CA HIS A 57 -9.766 53.395 4.910 1.00 19.46 C ATOM 570 C HIS A 57 -8.332 53.244 5.393 1.00 20.12 C ATOM 571 O HIS A 57 -8.029 52.429 6.263 1.00 21.40 O ATOM 572 CB HIS A 57 -10.779 53.193 6.019 1.00 20.77 C ATOM 573 CG HIS A 57 -12.189 53.319 5.545 1.00 21.28 C ATOM 574 ND1 HIS A 57 -12.681 54.477 4.981 1.00 19.84 N ATOM 575 CD2 HIS A 57 -13.205 52.426 5.525 1.00 24.02 C ATOM 576 CE1 HIS A 57 -13.949 54.296 4.651 1.00 22.27 C ATOM 577 NE2 HIS A 57 -14.290 53.060 4.968 1.00 21.81 N ATOM 578 H HIS A 57 -10.174 51.429 4.099 1.00 0.00 H ATOM 579 N LEU A 58 -7.446 54.044 4.818 1.00 23.03 N ATOM 580 CA LEU A 58 -6.032 53.861 5.084 1.00 25.50 C ATOM 581 C LEU A 58 -5.631 54.521 6.403 1.00 34.14 C ATOM 582 O LEU A 58 -6.348 55.362 6.958 1.00 30.59 O ATOM 583 CB LEU A 58 -5.198 54.438 3.942 1.00 25.62 C ATOM 584 CG LEU A 58 -5.502 53.805 2.587 1.00 18.74 C ATOM 585 CD1 LEU A 58 -4.547 54.344 1.535 1.00 25.07 C ATOM 586 CD2 LEU A 58 -5.412 52.302 2.679 1.00 28.40 C ATOM 587 H LEU A 58 -7.763 54.800 4.178 1.00 0.00 H ATOM 588 N HIS A 59 -4.465 54.111 6.898 1.00 35.31 N ATOM 589 CA HIS A 59 -3.833 54.754 8.036 1.00 38.38 C ATOM 590 C HIS A 59 -3.792 56.263 7.797 1.00 36.36 C ATOM 591 O HIS A 59 -3.625 56.703 6.652 1.00 33.53 O ATOM 592 CB HIS A 59 -2.420 54.179 8.233 1.00 40.74 C ATOM 593 CG HIS A 59 -1.839 54.424 9.594 1.00 47.63 C ATOM 594 ND1 HIS A 59 -1.107 55.552 9.900 1.00 43.76 N ATOM 595 CD2 HIS A 59 -1.863 53.678 10.725 1.00 45.01 C ATOM 596 CE1 HIS A 59 -0.719 55.498 11.161 1.00 47.45 C ATOM 597 NE2 HIS A 59 -1.163 54.370 11.684 1.00 51.11 N ATOM 598 H HIS A 59 -3.989 53.300 6.453 1.00 0.00 H ATOM 599 N PRO A 60 -3.964 57.087 8.835 1.00 44.92 N ATOM 600 CA PRO A 60 -3.980 58.542 8.620 1.00 41.12 C ATOM 601 C PRO A 60 -2.620 59.144 8.298 1.00 43.66 C ATOM 602 O PRO A 60 -2.536 60.362 8.103 1.00 38.98 O ATOM 603 CB PRO A 60 -4.524 59.084 9.948 1.00 47.03 C ATOM 604 CG PRO A 60 -4.151 58.046 10.950 1.00 51.26 C ATOM 605 CD PRO A 60 -4.247 56.728 10.235 1.00 44.32 C ATOM 606 N THR A 61 -1.551 58.346 8.234 1.00 41.66 N ATOM 607 CA THR A 61 -0.300 58.852 7.679 1.00 41.80 C ATOM 608 C THR A 61 -0.347 58.985 6.163 1.00 43.99 C ATOM 609 O THR A 61 0.619 59.476 5.577 1.00 42.67 O ATOM 610 CB THR A 61 0.873 57.952 8.080 1.00 40.42 C ATOM 611 OG1 THR A 61 0.618 56.602 7.664 1.00 38.28 O ATOM 612 CG2 THR A 61 1.082 57.995 9.589 1.00 40.81 C ATOM 613 HG1 THR A 61 -0.209 56.275 8.099 1.00 0.00 H ATOM 614 H THR A 61 -1.610 57.367 8.579 1.00 0.00 H ATOM 615 N PHE A 62 -1.384 58.598 5.541 1.00 40.19 N ATOM 616 CA PHE A 62 -1.587 58.750 4.108 1.00 37.51 C ATOM 617 C PHE A 62 -2.396 60.006 3.816 1.00 35.95 C ATOM 618 O PHE A 62 -3.271 60.394 4.593 1.00 42.42 O ATOM 619 CB PHE A 62 -2.310 57.534 3.526 1.00 36.42 C ATOM 620 CG PHE A 62 -1.448 56.323 3.407 1.00 36.01 C ATOM 621 CD1 PHE A 62 -0.719 56.095 2.254 1.00 29.94 C ATOM 622 CD2 PHE A 62 -1.351 55.418 4.454 1.00 32.92 C ATOM 623 CE1 PHE A 62 0.091 54.989 2.145 1.00 32.99 C ATOM 624 CE2 PHE A 62 -0.544 54.309 4.353 1.00 36.58 C ATOM 625 CZ PHE A 62 0.180 54.089 3.199 1.00 33.70 C ATOM 626 H PHE A 62 -2.139 58.142 6.092 1.00 0.00 H ATOM 627 N ALA A 63 -2.120 60.626 2.672 1.00 39.54 N ATOM 628 CA ALA A 63 -2.895 61.776 2.221 1.00 42.27 C ATOM 629 C ALA A 63 -4.223 61.317 1.620 1.00 44.01 C ATOM 630 O ALA A 63 -4.260 60.384 0.810 1.00 36.65 O ATOM 631 CB ALA A 63 -2.103 62.587 1.197 1.00 41.55 C ATOM 632 H ALA A 63 -1.333 60.283 2.085 1.00 0.00 H ATOM 633 N ASN A 64 -5.309 61.990 2.004 1.00 46.07 N ATOM 634 CA ASN A 64 -6.655 61.590 1.603 1.00 48.45 C ATOM 635 C ASN A 64 -6.815 60.094 1.832 1.00 35.85 C ATOM 636 O ASN A 64 -6.951 59.329 0.870 1.00 37.32 O ATOM 637 CB ASN A 64 -6.922 61.949 0.138 1.00 60.34 C ATOM 638 CG ASN A 64 -7.215 63.428 -0.060 1.00 69.32 C ATOM 639 OD1 ASN A 64 -7.847 64.068 0.782 1.00 73.05 O ATOM 640 ND2 ASN A 64 -6.756 63.978 -1.179 1.00 70.36 N ATOM 641 HD22 ASN A 64 -6.227 63.401 -1.863 1.00 0.00 H ATOM 642 HD21 ASN A 64 -6.926 64.986 -1.371 1.00 0.00 H ATOM 643 H ASN A 64 -5.193 62.828 2.609 1.00 0.00 H ATOM 644 N PRO A 65 -6.788 59.637 3.087 1.00 30.56 N ATOM 645 CA PRO A 65 -6.659 58.195 3.353 1.00 29.79 C ATOM 646 C PRO A 65 -7.908 57.372 3.032 1.00 24.32 C ATOM 647 O PRO A 65 -7.871 56.144 3.165 1.00 23.81 O ATOM 648 CB PRO A 65 -6.333 58.154 4.853 1.00 27.96 C ATOM 649 CG PRO A 65 -6.971 59.399 5.405 1.00 29.08 C ATOM 650 CD PRO A 65 -6.932 60.433 4.319 1.00 30.08 C ATOM 651 N ASN A 66 -8.998 57.977 2.588 1.00 23.73 N ATOM 652 CA ASN A 66 -10.211 57.237 2.244 1.00 21.89 C ATOM 653 C ASN A 66 -10.371 57.235 0.728 1.00 23.79 C ATOM 654 O ASN A 66 -10.757 58.245 0.132 1.00 26.10 O ATOM 655 CB ASN A 66 -11.402 57.846 2.971 1.00 21.24 C ATOM 656 CG ASN A 66 -11.165 57.891 4.455 1.00 18.43 C ATOM 657 OD1 ASN A 66 -11.064 56.847 5.091 1.00 25.85 O ATOM 658 ND2 ASN A 66 -11.004 59.089 5.007 1.00 26.91 N ATOM 659 HD22 ASN A 66 -11.100 59.946 4.426 1.00 0.00 H ATOM 660 HD21 ASN A 66 -10.782 59.169 6.020 1.00 0.00 H ATOM 661 H ASN A 66 -8.992 59.011 2.480 1.00 0.00 H ATOM 662 N ARG A 67 -10.066 56.088 0.113 1.00 21.43 N ATOM 663 CA ARG A 67 -9.917 55.969 -1.334 1.00 18.87 C ATOM 664 C ARG A 67 -11.053 55.125 -1.891 1.00 16.16 C ATOM 665 O ARG A 67 -11.138 53.932 -1.579 1.00 16.65 O ATOM 666 CB ARG A 67 -8.579 55.324 -1.688 1.00 21.12 C ATOM 667 CG ARG A 67 -7.378 55.927 -0.953 1.00 25.79 C ATOM 668 CD ARG A 67 -6.981 57.257 -1.545 1.00 29.72 C ATOM 669 NE ARG A 67 -5.782 57.769 -0.886 1.00 34.67 N ATOM 670 CZ ARG A 67 -4.540 57.447 -1.241 1.00 29.01 C ATOM 671 NH1 ARG A 67 -3.509 57.957 -0.580 1.00 36.65 N ATOM 672 NH2 ARG A 67 -4.329 56.626 -2.260 1.00 26.34 N ATOM 673 HE ARG A 67 -5.906 58.426 -0.090 1.00 0.00 H ATOM 674 HH12 ARG A 67 -2.538 57.706 -0.857 1.00 0.00 H ATOM 675 HH11 ARG A 67 -3.671 58.608 0.215 1.00 0.00 H ATOM 676 HH22 ARG A 67 -3.357 56.377 -2.534 1.00 0.00 H ATOM 677 HH21 ARG A 67 -5.135 56.231 -2.785 1.00 0.00 H ATOM 678 H ARG A 67 -9.928 55.237 0.695 1.00 0.00 H ATOM 679 N THR A 68 -11.869 55.724 -2.750 1.00 19.40 N ATOM 680 CA THR A 68 -13.063 55.092 -3.311 1.00 20.72 C ATOM 681 C THR A 68 -12.760 54.489 -4.676 1.00 20.31 C ATOM 682 O THR A 68 -12.177 55.157 -5.532 1.00 23.01 O ATOM 683 CB THR A 68 -14.190 56.116 -3.455 1.00 20.73 C ATOM 684 OG1 THR A 68 -14.704 56.461 -2.164 1.00 21.09 O ATOM 685 CG2 THR A 68 -15.305 55.585 -4.326 1.00 17.12 C ATOM 686 HG1 THR A 68 -15.432 57.124 -2.266 1.00 0.00 H ATOM 687 H THR A 68 -11.647 56.698 -3.040 1.00 0.00 H ATOM 688 N PHE A 69 -13.185 53.245 -4.888 1.00 14.32 N ATOM 689 CA PHE A 69 -13.096 52.597 -6.185 1.00 15.30 C ATOM 690 C PHE A 69 -14.466 52.059 -6.568 1.00 18.16 C ATOM 691 O PHE A 69 -15.233 51.619 -5.712 1.00 15.67 O ATOM 692 CB PHE A 69 -12.040 51.495 -6.157 1.00 17.35 C ATOM 693 CG PHE A 69 -10.658 52.036 -5.925 1.00 17.36 C ATOM 694 CD1 PHE A 69 -9.890 52.478 -6.989 1.00 24.53 C ATOM 695 CD2 PHE A 69 -10.165 52.186 -4.634 1.00 15.10 C ATOM 696 CE1 PHE A 69 -8.628 53.015 -6.771 1.00 24.95 C ATOM 697 CE2 PHE A 69 -8.912 52.725 -4.412 1.00 21.29 C ATOM 698 CZ PHE A 69 -8.149 53.146 -5.481 1.00 19.52 C ATOM 699 H PHE A 69 -13.597 52.716 -4.093 1.00 0.00 H ATOM 700 N THR A 70 -14.779 52.108 -7.862 1.00 15.66 N ATOM 701 CA THR A 70 -16.114 51.730 -8.311 1.00 18.30 C ATOM 702 C THR A 70 -16.156 50.570 -9.289 1.00 19.88 C ATOM 703 O THR A 70 -17.257 50.141 -9.661 1.00 21.42 O ATOM 704 CB THR A 70 -16.821 52.930 -8.971 1.00 23.72 C ATOM 705 OG1 THR A 70 -15.998 53.436 -10.026 1.00 23.93 O ATOM 706 CG2 THR A 70 -17.082 54.044 -7.945 1.00 23.05 C ATOM 707 HG1 THR A 70 -15.851 52.724 -10.698 1.00 0.00 H ATOM 708 H THR A 70 -14.068 52.417 -8.555 1.00 0.00 H ATOM 709 N ASP A 71 -15.022 50.070 -9.750 1.00 20.56 N ATOM 710 CA ASP A 71 -15.071 49.009 -10.736 1.00 22.01 C ATOM 711 C ASP A 71 -14.181 47.852 -10.300 1.00 18.70 C ATOM 712 O ASP A 71 -13.062 48.084 -9.800 1.00 19.19 O ATOM 713 CB ASP A 71 -14.673 49.558 -12.105 1.00 27.12 C ATOM 714 CG ASP A 71 -15.722 50.534 -12.662 1.00 30.27 C ATOM 715 OD1 ASP A 71 -16.783 50.081 -13.153 1.00 40.96 O ATOM 716 OD2 ASP A 71 -15.506 51.757 -12.578 1.00 40.13 O ATOM 717 H ASP A 71 -14.109 50.433 -9.410 1.00 0.00 H ATOM 718 N PRO A 72 -14.662 46.613 -10.403 1.00 17.90 N ATOM 719 CA PRO A 72 -13.841 45.450 -10.038 1.00 17.18 C ATOM 720 C PRO A 72 -12.559 45.425 -10.851 1.00 20.42 C ATOM 721 O PRO A 72 -12.565 45.792 -12.034 1.00 20.81 O ATOM 722 CB PRO A 72 -14.745 44.255 -10.382 1.00 19.80 C ATOM 723 CG PRO A 72 -16.157 44.808 -10.261 1.00 20.53 C ATOM 724 CD PRO A 72 -16.062 46.240 -10.716 1.00 19.10 C ATOM 725 N PRO A 73 -11.439 44.988 -10.262 1.00 19.12 N ATOM 726 CA PRO A 73 -11.340 44.443 -8.902 1.00 21.26 C ATOM 727 C PRO A 73 -11.001 45.470 -7.821 1.00 16.67 C ATOM 728 O PRO A 73 -10.407 45.099 -6.795 1.00 16.72 O ATOM 729 CB PRO A 73 -10.209 43.421 -9.035 1.00 20.10 C ATOM 730 CG PRO A 73 -9.284 44.072 -10.041 1.00 19.60 C ATOM 731 CD PRO A 73 -10.177 44.818 -11.011 1.00 21.84 C ATOM 732 N PHE A 74 -11.374 46.735 -8.026 1.00 14.98 N ATOM 733 CA PHE A 74 -11.232 47.746 -6.971 1.00 13.40 C ATOM 734 C PHE A 74 -9.780 47.852 -6.514 1.00 21.61 C ATOM 735 O PHE A 74 -9.490 47.892 -5.319 1.00 16.86 O ATOM 736 CB PHE A 74 -12.134 47.430 -5.778 1.00 15.50 C ATOM 737 CG PHE A 74 -13.561 47.147 -6.169 1.00 15.40 C ATOM 738 CD1 PHE A 74 -14.396 48.180 -6.527 1.00 14.35 C ATOM 739 CD2 PHE A 74 -14.049 45.847 -6.191 1.00 14.94 C ATOM 740 CE1 PHE A 74 -15.716 47.937 -6.878 1.00 16.18 C ATOM 741 CE2 PHE A 74 -15.370 45.581 -6.560 1.00 14.02 C ATOM 742 CZ PHE A 74 -16.207 46.631 -6.890 1.00 13.45 C ATOM 743 H PHE A 74 -11.771 47.009 -8.947 1.00 0.00 H ATOM 744 N ARG A 75 -8.865 47.876 -7.475 1.00 17.77 N ATOM 745 CA ARG A 75 -7.445 47.820 -7.161 1.00 13.32 C ATOM 746 C ARG A 75 -6.953 49.163 -6.649 1.00 18.59 C ATOM 747 O ARG A 75 -7.136 50.196 -7.303 1.00 18.95 O ATOM 748 CB ARG A 75 -6.656 47.409 -8.400 1.00 20.36 C ATOM 749 CG ARG A 75 -5.141 47.398 -8.197 1.00 24.29 C ATOM 750 CD ARG A 75 -4.447 47.098 -9.513 1.00 30.84 C ATOM 751 NE ARG A 75 -2.990 47.236 -9.414 1.00 40.34 N ATOM 752 CZ ARG A 75 -2.164 46.263 -9.039 1.00 40.83 C ATOM 753 NH1 ARG A 75 -2.641 45.067 -8.715 1.00 42.49 N ATOM 754 NH2 ARG A 75 -0.855 46.485 -8.985 1.00 39.79 N ATOM 755 HE ARG A 75 -2.574 48.159 -9.654 1.00 0.00 H ATOM 756 HH12 ARG A 75 -1.991 44.310 -8.422 1.00 0.00 H ATOM 757 HH11 ARG A 75 -3.665 44.887 -8.754 1.00 0.00 H ATOM 758 HH22 ARG A 75 -0.210 45.724 -8.692 1.00 0.00 H ATOM 759 HH21 ARG A 75 -0.475 47.420 -9.236 1.00 0.00 H ATOM 760 H ARG A 75 -9.167 47.936 -8.468 1.00 0.00 H ATOM 761 N ILE A 76 -6.317 49.147 -5.486 1.00 18.19 N ATOM 762 CA ILE A 76 -5.640 50.319 -4.948 1.00 16.26 C ATOM 763 C ILE A 76 -4.146 50.046 -4.973 1.00 17.90 C ATOM 764 O ILE A 76 -3.711 48.910 -4.762 1.00 16.46 O ATOM 765 CB ILE A 76 -6.112 50.665 -3.522 1.00 14.84 C ATOM 766 CG1 ILE A 76 -5.422 51.936 -3.015 1.00 18.31 C ATOM 767 CG2 ILE A 76 -5.890 49.508 -2.556 1.00 14.03 C ATOM 768 CD1 ILE A 76 -5.916 52.385 -1.637 1.00 22.58 C ATOM 769 H ILE A 76 -6.301 48.264 -4.937 1.00 0.00 H ATOM 770 N GLU A 77 -3.371 51.077 -5.277 1.00 22.04 N ATOM 771 CA GLU A 77 -1.921 51.018 -5.209 1.00 25.20 C ATOM 772 C GLU A 77 -1.421 52.205 -4.408 1.00 25.37 C ATOM 773 O GLU A 77 -1.902 53.325 -4.584 1.00 19.64 O ATOM 774 CB GLU A 77 -1.289 51.031 -6.601 1.00 30.17 C ATOM 775 CG GLU A 77 -1.612 49.803 -7.421 1.00 38.72 C ATOM 776 CD GLU A 77 -0.828 49.755 -8.715 1.00 53.38 C ATOM 777 OE1 GLU A 77 -1.455 49.826 -9.794 1.00 58.89 O ATOM 778 OE2 GLU A 77 0.417 49.658 -8.648 1.00 61.36 O ATOM 779 H GLU A 77 -3.820 51.966 -5.577 1.00 0.00 H ATOM 780 N GLU A 78 -0.456 51.952 -3.526 1.00 20.48 N ATOM 781 CA GLU A 78 0.102 53.002 -2.690 1.00 24.74 C ATOM 782 C GLU A 78 1.560 52.682 -2.405 1.00 21.53 C ATOM 783 O GLU A 78 2.076 51.637 -2.806 1.00 20.90 O ATOM 784 CB GLU A 78 -0.671 53.165 -1.381 1.00 23.68 C ATOM 785 CG GLU A 78 -1.638 54.328 -1.389 1.00 28.70 C ATOM 786 CD GLU A 78 -0.948 55.680 -1.535 1.00 28.89 C ATOM 787 OE1 GLU A 78 0.278 55.781 -1.320 1.00 29.28 O ATOM 788 OE2 GLU A 78 -1.645 56.653 -1.872 1.00 28.94 O ATOM 789 H GLU A 78 -0.094 50.982 -3.433 1.00 0.00 H ATOM 790 N GLN A 79 2.220 53.611 -1.719 1.00 23.02 N ATOM 791 CA GLN A 79 3.603 53.451 -1.290 1.00 27.24 C ATOM 792 C GLN A 79 3.690 53.699 0.204 1.00 26.11 C ATOM 793 O GLN A 79 3.014 54.591 0.728 1.00 24.62 O ATOM 794 CB GLN A 79 4.544 54.434 -2.003 1.00 28.75 C ATOM 795 CG GLN A 79 4.606 54.285 -3.497 1.00 38.88 C ATOM 796 CD GLN A 79 5.554 55.286 -4.122 1.00 49.24 C ATOM 797 OE1 GLN A 79 6.126 56.132 -3.431 1.00 55.91 O ATOM 798 NE2 GLN A 79 5.731 55.193 -5.435 1.00 54.63 N ATOM 799 HE22 GLN A 79 5.227 54.463 -5.977 1.00 0.00 H ATOM 800 HE21 GLN A 79 6.374 55.850 -5.921 1.00 0.00 H ATOM 801 H GLN A 79 1.725 54.493 -1.477 1.00 0.00 H ATOM 802 N GLY A 80 4.502 52.911 0.903 1.00 24.11 N ATOM 803 CA GLY A 80 4.644 53.066 2.341 1.00 31.36 C ATOM 804 C GLY A 80 5.906 52.446 2.911 1.00 34.92 C ATOM 805 O GLY A 80 6.831 52.112 2.170 1.00 57.46 O ATOM 806 H GLY A 80 5.044 52.172 0.412 1.00 0.00 H ATOM 807 N TRP A 81 5.946 52.293 4.232 1.00 36.32 N ATOM 808 CA TRP A 81 7.110 51.711 4.895 1.00 38.17 C ATOM 809 C TRP A 81 6.761 50.776 6.051 1.00 36.41 C ATOM 810 O TRP A 81 7.605 50.005 6.507 1.00 34.20 O ATOM 811 CB TRP A 81 8.065 52.807 5.380 1.00 39.31 C ATOM 812 CG TRP A 81 7.482 53.759 6.375 1.00 55.06 C ATOM 813 CD1 TRP A 81 7.447 53.608 7.730 1.00 65.69 C ATOM 814 CD2 TRP A 81 6.843 55.011 6.095 1.00 70.66 C ATOM 815 NE1 TRP A 81 6.829 54.688 8.312 1.00 75.67 N ATOM 816 CE2 TRP A 81 6.448 55.564 7.330 1.00 78.53 C ATOM 817 CE3 TRP A 81 6.567 55.720 4.920 1.00 76.67 C ATOM 818 CZ2 TRP A 81 5.790 56.792 7.424 1.00 82.51 C ATOM 819 CZ3 TRP A 81 5.915 56.941 5.016 1.00 80.16 C ATOM 820 CH2 TRP A 81 5.533 57.462 6.259 1.00 81.50 C ATOM 821 HE1 TRP A 81 6.675 54.819 9.332 1.00 0.00 H ATOM 822 H TRP A 81 5.132 52.594 4.804 1.00 0.00 H ATOM 823 N ALA A 82 5.521 50.843 6.522 1.00 43.36 N ATOM 824 CA ALA A 82 5.092 49.994 7.628 1.00 40.34 C ATOM 825 C ALA A 82 3.663 49.494 7.447 1.00 41.54 C ATOM 826 O ALA A 82 2.748 50.279 7.198 1.00 53.19 O ATOM 827 CB ALA A 82 5.232 50.736 8.949 1.00 44.51 C ATOM 828 H ALA A 82 4.846 51.510 6.096 1.00 0.00 H ATOM 829 N GLY A 83 3.479 48.184 7.575 1.00 35.80 N ATOM 830 CA GLY A 83 2.169 47.591 7.435 1.00 40.61 C ATOM 831 C GLY A 83 1.221 48.068 8.513 1.00 36.76 C ATOM 832 O GLY A 83 1.614 48.699 9.489 1.00 41.45 O ATOM 833 H GLY A 83 4.295 47.573 7.780 1.00 0.00 H ATOM 834 N PHE A 84 -0.060 47.745 8.339 1.00 35.40 N ATOM 835 CA PHE A 84 -1.048 48.232 9.292 1.00 38.16 C ATOM 836 C PHE A 84 -2.379 47.534 9.075 1.00 43.53 C ATOM 837 O PHE A 84 -2.676 47.086 7.960 1.00 35.60 O ATOM 838 CB PHE A 84 -1.234 49.751 9.164 1.00 35.97 C ATOM 839 CG PHE A 84 -1.493 50.228 7.751 1.00 35.83 C ATOM 840 CD1 PHE A 84 -2.786 50.336 7.265 1.00 42.04 C ATOM 841 CD2 PHE A 84 -0.447 50.618 6.936 1.00 42.67 C ATOM 842 CE1 PHE A 84 -3.018 50.801 5.978 1.00 43.98 C ATOM 843 CE2 PHE A 84 -0.671 51.079 5.652 1.00 36.33 C ATOM 844 CZ PHE A 84 -1.948 51.166 5.168 1.00 39.48 C ATOM 845 H PHE A 84 -0.350 47.154 7.534 1.00 0.00 H ATOM 846 N PRO A 85 -3.208 47.414 10.109 1.00 46.47 N ATOM 847 CA PRO A 85 -4.614 47.107 9.858 1.00 43.44 C ATOM 848 C PRO A 85 -5.239 48.292 9.145 1.00 43.45 C ATOM 849 O PRO A 85 -5.013 49.446 9.513 1.00 43.63 O ATOM 850 CB PRO A 85 -5.197 46.899 11.259 1.00 45.94 C ATOM 851 CG PRO A 85 -4.312 47.698 12.143 1.00 48.95 C ATOM 852 CD PRO A 85 -2.938 47.633 11.540 1.00 46.15 C ATOM 853 N LEU A 86 -5.961 48.010 8.075 1.00 44.29 N ATOM 854 CA LEU A 86 -6.785 49.028 7.452 1.00 40.39 C ATOM 855 C LEU A 86 -8.199 48.486 7.364 1.00 36.29 C ATOM 856 O LEU A 86 -8.434 47.283 7.494 1.00 42.24 O ATOM 857 CB LEU A 86 -6.240 49.455 6.074 1.00 36.73 C ATOM 858 CG LEU A 86 -6.139 48.477 4.903 1.00 34.63 C ATOM 859 CD1 LEU A 86 -7.356 48.620 4.013 1.00 28.36 C ATOM 860 CD2 LEU A 86 -4.875 48.722 4.095 1.00 36.31 C ATOM 861 H LEU A 86 -5.938 47.050 7.676 1.00 0.00 H ATOM 862 N ASP A 87 -9.151 49.388 7.192 1.00 37.84 N ATOM 863 CA ASP A 87 -10.542 48.998 7.047 1.00 34.11 C ATOM 864 C ASP A 87 -10.936 49.132 5.590 1.00 16.61 C ATOM 865 O ASP A 87 -10.609 50.134 4.945 1.00 25.84 O ATOM 866 CB ASP A 87 -11.452 49.851 7.928 1.00 35.61 C ATOM 867 CG ASP A 87 -11.455 49.393 9.368 1.00 46.93 C ATOM 868 OD1 ASP A 87 -11.903 48.255 9.634 1.00 56.05 O ATOM 869 OD2 ASP A 87 -10.994 50.168 10.228 1.00 47.38 O ATOM 870 H ASP A 87 -8.898 50.396 7.160 1.00 0.00 H ATOM 871 N ILE A 88 -11.608 48.111 5.072 1.00 22.62 N ATOM 872 CA ILE A 88 -12.136 48.118 3.716 1.00 18.92 C ATOM 873 C ILE A 88 -13.651 48.127 3.835 1.00 18.22 C ATOM 874 O ILE A 88 -14.246 47.154 4.318 1.00 22.31 O ATOM 875 CB ILE A 88 -11.661 46.907 2.897 1.00 18.74 C ATOM 876 CG1 ILE A 88 -10.140 46.747 2.976 1.00 20.00 C ATOM 877 CG2 ILE A 88 -12.091 47.059 1.454 1.00 18.42 C ATOM 878 CD1 ILE A 88 -9.611 45.567 2.169 1.00 18.83 C ATOM 879 H ILE A 88 -11.764 47.269 5.662 1.00 0.00 H ATOM 880 N SER A 89 -14.286 49.206 3.395 1.00 13.78 N ATOM 881 CA SER A 89 -15.746 49.250 3.316 1.00 18.86 C ATOM 882 C SER A 89 -16.178 48.776 1.935 1.00 16.66 C ATOM 883 O SER A 89 -15.757 49.351 0.926 1.00 15.57 O ATOM 884 CB SER A 89 -16.269 50.663 3.584 1.00 15.30 C ATOM 885 OG SER A 89 -16.184 50.987 4.967 1.00 18.40 O ATOM 886 HG SER A 89 -16.528 51.904 5.112 1.00 0.00 H ATOM 887 H SER A 89 -13.735 50.037 3.100 1.00 0.00 H ATOM 888 N VAL A 90 -17.009 47.732 1.878 1.00 15.58 N ATOM 889 CA VAL A 90 -17.587 47.279 0.616 1.00 10.27 C ATOM 890 C VAL A 90 -19.086 47.556 0.659 1.00 13.62 C ATOM 891 O VAL A 90 -19.744 47.297 1.672 1.00 14.00 O ATOM 892 CB VAL A 90 -17.273 45.796 0.328 1.00 15.18 C ATOM 893 CG1 VAL A 90 -15.765 45.576 0.270 1.00 13.69 C ATOM 894 CG2 VAL A 90 -17.897 44.866 1.383 1.00 16.56 C ATOM 895 H VAL A 90 -17.251 47.229 2.755 1.00 0.00 H ATOM 896 N PHE A 91 -19.607 48.142 -0.416 1.00 13.10 N ATOM 897 CA PHE A 91 -21.004 48.567 -0.499 1.00 13.02 C ATOM 898 C PHE A 91 -21.714 47.678 -1.506 1.00 13.56 C ATOM 899 O PHE A 91 -21.389 47.702 -2.696 1.00 14.51 O ATOM 900 CB PHE A 91 -21.107 50.039 -0.911 1.00 13.14 C ATOM 901 CG PHE A 91 -20.652 50.994 0.156 1.00 15.74 C ATOM 902 CD1 PHE A 91 -21.569 51.592 1.004 1.00 16.36 C ATOM 903 CD2 PHE A 91 -19.296 51.274 0.327 1.00 17.37 C ATOM 904 CE1 PHE A 91 -21.144 52.459 2.011 1.00 18.77 C ATOM 905 CE2 PHE A 91 -18.861 52.147 1.330 1.00 17.78 C ATOM 906 CZ PHE A 91 -19.781 52.735 2.171 1.00 18.25 C ATOM 907 H PHE A 91 -18.991 48.306 -1.237 1.00 0.00 H ATOM 908 N LEU A 92 -22.678 46.904 -1.022 1.00 14.15 N ATOM 909 CA LEU A 92 -23.475 46.033 -1.864 1.00 14.96 C ATOM 910 C LEU A 92 -24.353 46.853 -2.794 1.00 14.24 C ATOM 911 O LEU A 92 -24.742 47.986 -2.483 1.00 13.67 O ATOM 912 CB LEU A 92 -24.343 45.117 -0.991 1.00 13.50 C ATOM 913 CG LEU A 92 -23.571 44.129 -0.120 1.00 16.59 C ATOM 914 CD1 LEU A 92 -24.450 43.606 1.050 1.00 17.66 C ATOM 915 CD2 LEU A 92 -23.059 42.985 -0.997 1.00 13.21 C ATOM 916 H LEU A 92 -22.869 46.923 0.000 1.00 0.00 H ATOM 917 N LEU A 93 -24.665 46.261 -3.949 1.00 12.90 N ATOM 918 CA LEU A 93 -25.541 46.876 -4.941 1.00 12.89 C ATOM 919 C LEU A 93 -26.856 47.278 -4.307 1.00 16.81 C ATOM 920 O LEU A 93 -27.253 46.691 -3.299 1.00 11.20 O ATOM 921 CB LEU A 93 -25.839 45.907 -6.100 1.00 12.14 C ATOM 922 CG LEU A 93 -24.743 45.409 -7.041 1.00 14.09 C ATOM 923 CD1 LEU A 93 -25.377 44.551 -8.130 1.00 17.55 C ATOM 924 CD2 LEU A 93 -23.996 46.572 -7.661 1.00 17.12 C ATOM 925 H LEU A 93 -24.267 45.322 -4.150 1.00 0.00 H ATOM 926 N GLU A 94 -27.554 48.232 -4.925 1.00 15.29 N ATOM 927 CA GLU A 94 -28.943 48.563 -4.573 1.00 15.64 C ATOM 928 C GLU A 94 -29.075 49.022 -3.126 1.00 16.58 C ATOM 929 O GLU A 94 -30.096 48.773 -2.479 1.00 14.94 O ATOM 930 CB GLU A 94 -29.885 47.383 -4.840 1.00 15.44 C ATOM 931 CG GLU A 94 -30.061 47.023 -6.313 1.00 16.36 C ATOM 932 CD GLU A 94 -30.651 48.163 -7.120 1.00 23.00 C ATOM 933 OE1 GLU A 94 -29.879 49.069 -7.495 1.00 22.38 O ATOM 934 OE2 GLU A 94 -31.880 48.150 -7.375 1.00 17.93 O ATOM 935 H GLU A 94 -27.095 48.766 -5.690 1.00 0.00 H ATOM 936 N LYS A 95 -28.023 49.657 -2.609 1.00 15.00 N ATOM 937 CA LYS A 95 -28.002 50.174 -1.246 1.00 19.72 C ATOM 938 C LYS A 95 -28.269 49.073 -0.229 1.00 19.32 C ATOM 939 O LYS A 95 -28.838 49.320 0.838 1.00 16.65 O ATOM 940 CB LYS A 95 -29.004 51.320 -1.077 1.00 19.65 C ATOM 941 CG LYS A 95 -28.708 52.516 -1.968 1.00 28.60 C ATOM 942 CD LYS A 95 -29.399 53.774 -1.443 1.00 42.54 C ATOM 943 CE LYS A 95 -30.533 54.249 -2.346 1.00 55.58 C ATOM 944 NZ LYS A 95 -30.111 55.345 -3.267 1.00 58.36 N ATOM 945 HZ1 LYS A 95 -29.784 56.159 -2.708 1.00 0.00 H ATOM 946 HZ2 LYS A 95 -29.338 55.007 -3.875 1.00 0.00 H ATOM 947 HZ3 LYS A 95 -30.918 55.630 -3.857 1.00 0.00 H ATOM 948 H LYS A 95 -27.180 49.789 -3.204 1.00 0.00 H ATOM 949 N ALA A 96 -27.857 47.844 -0.546 1.00 13.27 N ATOM 950 CA ALA A 96 -28.220 46.735 0.324 1.00 15.21 C ATOM 951 C ALA A 96 -27.397 46.691 1.601 1.00 17.49 C ATOM 952 O ALA A 96 -27.804 46.012 2.546 1.00 17.88 O ATOM 953 CB ALA A 96 -28.105 45.411 -0.413 1.00 14.22 C ATOM 954 H ALA A 96 -27.286 47.681 -1.400 1.00 0.00 H ATOM 955 N GLY A 97 -26.270 47.382 1.667 1.00 17.26 N ATOM 956 CA GLY A 97 -25.625 47.595 2.948 1.00 15.10 C ATOM 957 C GLY A 97 -24.116 47.692 2.822 1.00 15.41 C ATOM 958 O GLY A 97 -23.498 47.177 1.893 1.00 13.86 O ATOM 959 H GLY A 97 -25.847 47.772 0.800 1.00 0.00 H ATOM 960 N GLU A 98 -23.512 48.375 3.792 1.00 15.12 N ATOM 961 CA GLU A 98 -22.061 48.437 3.909 1.00 14.74 C ATOM 962 C GLU A 98 -21.568 47.267 4.755 1.00 16.61 C ATOM 963 O GLU A 98 -22.196 46.909 5.749 1.00 16.40 O ATOM 964 CB GLU A 98 -21.635 49.763 4.551 1.00 18.01 C ATOM 965 CG GLU A 98 -20.079 49.981 4.683 1.00 17.21 C ATOM 966 CD GLU A 98 -19.766 51.227 5.497 1.00 26.16 C ATOM 967 OE1 GLU A 98 -20.731 51.815 6.027 1.00 25.77 O ATOM 968 OE2 GLU A 98 -18.583 51.624 5.619 1.00 23.68 O ATOM 969 H GLU A 98 -24.095 48.881 4.489 1.00 0.00 H ATOM 970 N ARG A 99 -20.464 46.649 4.339 1.00 14.48 N ATOM 971 CA ARG A 99 -19.744 45.700 5.184 1.00 13.05 C ATOM 972 C ARG A 99 -18.335 46.230 5.384 1.00 21.36 C ATOM 973 O ARG A 99 -17.679 46.612 4.416 1.00 18.21 O ATOM 974 CB ARG A 99 -19.686 44.308 4.559 1.00 22.41 C ATOM 975 CG ARG A 99 -21.046 43.717 4.229 1.00 22.98 C ATOM 976 CD ARG A 99 -21.783 43.333 5.493 1.00 23.38 C ATOM 977 NE ARG A 99 -23.049 42.681 5.188 1.00 21.80 N ATOM 978 CZ ARG A 99 -24.206 43.318 5.061 1.00 28.17 C ATOM 979 NH1 ARG A 99 -24.265 44.637 5.216 1.00 22.68 N ATOM 980 NH2 ARG A 99 -25.304 42.632 4.784 1.00 26.20 N ATOM 981 HE ARG A 99 -23.046 41.649 5.061 1.00 0.00 H ATOM 982 HH12 ARG A 99 -25.174 45.132 5.116 1.00 0.00 H ATOM 983 HH11 ARG A 99 -23.402 45.174 5.438 1.00 0.00 H ATOM 984 HH22 ARG A 99 -26.214 43.125 4.683 1.00 0.00 H ATOM 985 HH21 ARG A 99 -25.257 41.600 4.667 1.00 0.00 H ATOM 986 H ARG A 99 -20.104 46.848 3.384 1.00 0.00 H ATOM 987 N LYS A 100 -17.871 46.257 6.628 1.00 22.89 N ATOM 988 CA LYS A 100 -16.516 46.712 6.929 1.00 27.77 C ATOM 989 C LYS A 100 -15.634 45.486 7.134 1.00 40.67 C ATOM 990 O LYS A 100 -15.842 44.713 8.073 1.00 41.56 O ATOM 991 CB LYS A 100 -16.497 47.632 8.147 1.00 32.72 C ATOM 992 CG LYS A 100 -17.026 49.022 7.844 1.00 32.87 C ATOM 993 CD LYS A 100 -16.173 50.100 8.492 1.00 42.52 C ATOM 994 CE LYS A 100 -16.323 50.083 9.997 1.00 45.14 C ATOM 995 NZ LYS A 100 -17.727 50.341 10.418 1.00 50.92 N ATOM 996 HZ1 LYS A 100 -18.026 51.275 10.071 1.00 0.00 H ATOM 997 HZ2 LYS A 100 -18.347 49.607 10.020 1.00 0.00 H ATOM 998 HZ3 LYS A 100 -17.786 50.321 11.456 1.00 0.00 H ATOM 999 H LYS A 100 -18.487 45.947 7.406 1.00 0.00 H ATOM 1000 N ILE A 101 -14.663 45.306 6.245 1.00 37.57 N ATOM 1001 CA ILE A 101 -13.800 44.129 6.230 1.00 35.70 C ATOM 1002 C ILE A 101 -12.455 44.520 6.833 1.00 37.89 C ATOM 1003 O ILE A 101 -11.773 45.396 6.278 1.00 30.83 O ATOM 1004 CB ILE A 101 -13.613 43.575 4.810 1.00 40.02 C ATOM 1005 CG1 ILE A 101 -14.959 43.369 4.114 1.00 33.79 C ATOM 1006 CG2 ILE A 101 -12.814 42.277 4.851 1.00 37.85 C ATOM 1007 CD1 ILE A 101 -15.530 41.990 4.262 1.00 37.85 C ATOM 1008 H ILE A 101 -14.510 46.040 5.524 1.00 0.00 H ATOM 1009 N PRO A 102 -12.038 43.914 7.943 1.00 45.94 N ATOM 1010 CA PRO A 102 -10.707 44.212 8.477 1.00 46.79 C ATOM 1011 C PRO A 102 -9.654 43.544 7.610 1.00 32.56 C ATOM 1012 O PRO A 102 -9.757 42.360 7.281 1.00 44.61 O ATOM 1013 CB PRO A 102 -10.749 43.614 9.886 1.00 49.80 C ATOM 1014 CG PRO A 102 -11.679 42.450 9.745 1.00 48.36 C ATOM 1015 CD PRO A 102 -12.719 42.862 8.721 1.00 48.34 C ATOM 1016 N HIS A 103 -8.671 44.317 7.195 1.00 39.44 N ATOM 1017 CA HIS A 103 -7.561 43.777 6.432 1.00 39.31 C ATOM 1018 C HIS A 103 -6.268 44.156 7.115 1.00 38.74 C ATOM 1019 O HIS A 103 -6.150 45.228 7.711 1.00 41.37 O ATOM 1020 CB HIS A 103 -7.533 44.282 4.990 1.00 32.23 C ATOM 1021 CG HIS A 103 -6.515 43.594 4.133 1.00 27.25 C ATOM 1022 ND1 HIS A 103 -6.439 42.221 4.025 1.00 22.22 N ATOM 1023 CD2 HIS A 103 -5.524 44.090 3.353 1.00 31.22 C ATOM 1024 CE1 HIS A 103 -5.449 41.901 3.210 1.00 29.15 C ATOM 1025 NE2 HIS A 103 -4.877 43.016 2.789 1.00 25.56 N ATOM 1026 H HIS A 103 -8.691 45.333 7.418 1.00 0.00 H ATOM 1027 N ASP A 104 -5.291 43.270 7.013 1.00 35.46 N ATOM 1028 CA ASP A 104 -3.962 43.548 7.524 1.00 36.46 C ATOM 1029 C ASP A 104 -3.012 43.678 6.342 1.00 27.88 C ATOM 1030 O ASP A 104 -2.768 42.706 5.621 1.00 27.43 O ATOM 1031 CB ASP A 104 -3.495 42.467 8.481 1.00 39.27 C ATOM 1032 CG ASP A 104 -2.329 42.921 9.289 1.00 42.03 C ATOM 1033 OD1 ASP A 104 -2.567 43.656 10.268 1.00 42.45 O ATOM 1034 OD2 ASP A 104 -1.182 42.583 8.918 1.00 40.81 O ATOM 1035 H ASP A 104 -5.480 42.355 6.557 1.00 0.00 H ATOM 1036 N LEU A 105 -2.512 44.886 6.129 1.00 30.59 N ATOM 1037 CA LEU A 105 -1.512 45.151 5.110 1.00 30.08 C ATOM 1038 C LEU A 105 -0.154 44.884 5.744 1.00 31.53 C ATOM 1039 O LEU A 105 0.207 45.540 6.721 1.00 30.09 O ATOM 1040 CB LEU A 105 -1.645 46.595 4.622 1.00 33.36 C ATOM 1041 CG LEU A 105 -0.847 47.156 3.443 1.00 32.33 C ATOM 1042 CD1 LEU A 105 0.578 47.477 3.842 1.00 32.42 C ATOM 1043 CD2 LEU A 105 -0.888 46.211 2.255 1.00 23.95 C ATOM 1044 H LEU A 105 -2.849 45.676 6.715 1.00 0.00 H ATOM 1045 N ASN A 106 0.581 43.898 5.236 1.00 29.52 N ATOM 1046 CA ASN A 106 1.856 43.592 5.861 1.00 31.38 C ATOM 1047 C ASN A 106 2.870 43.172 4.804 1.00 30.71 C ATOM 1048 O ASN A 106 2.547 42.956 3.634 1.00 31.45 O ATOM 1049 CB ASN A 106 1.716 42.525 6.952 1.00 32.93 C ATOM 1050 CG ASN A 106 1.258 41.191 6.416 1.00 33.39 C ATOM 1051 OD1 ASN A 106 2.036 40.453 5.815 1.00 35.86 O ATOM 1052 ND2 ASN A 106 -0.009 40.861 6.656 1.00 36.57 N ATOM 1053 HD22 ASN A 106 -0.630 41.519 7.169 1.00 0.00 H ATOM 1054 HD21 ASN A 106 -0.378 39.945 6.331 1.00 0.00 H ATOM 1055 H ASN A 106 0.250 43.359 4.410 1.00 0.00 H ATOM 1056 N PHE A 107 4.116 43.091 5.236 1.00 30.07 N ATOM 1057 CA PHE A 107 5.232 42.850 4.335 1.00 34.69 C ATOM 1058 C PHE A 107 5.863 41.487 4.568 1.00 39.11 C ATOM 1059 O PHE A 107 7.008 41.259 4.170 1.00 37.63 O ATOM 1060 CB PHE A 107 6.266 43.959 4.488 1.00 27.50 C ATOM 1061 CG PHE A 107 5.714 45.327 4.271 1.00 27.78 C ATOM 1062 CD1 PHE A 107 4.679 45.539 3.370 1.00 24.18 C ATOM 1063 CD2 PHE A 107 6.231 46.410 4.960 1.00 29.46 C ATOM 1064 CE1 PHE A 107 4.165 46.809 3.162 1.00 23.96 C ATOM 1065 CE2 PHE A 107 5.732 47.683 4.752 1.00 30.24 C ATOM 1066 CZ PHE A 107 4.693 47.884 3.856 1.00 35.23 C ATOM 1067 H PHE A 107 4.305 43.203 6.253 1.00 0.00 H ATOM 1068 N LEU A 108 5.124 40.575 5.197 1.00 41.77 N ATOM 1069 CA LEU A 108 5.662 39.256 5.499 1.00 47.34 C ATOM 1070 C LEU A 108 5.888 38.445 4.231 1.00 51.72 C ATOM 1071 O LEU A 108 6.853 37.677 4.143 1.00 58.92 O ATOM 1072 CB LEU A 108 4.714 38.532 6.450 1.00 49.65 C ATOM 1073 CG LEU A 108 4.472 39.316 7.742 1.00 49.90 C ATOM 1074 CD1 LEU A 108 3.264 38.774 8.495 1.00 47.92 C ATOM 1075 CD2 LEU A 108 5.732 39.284 8.611 1.00 46.80 C ATOM 1076 H LEU A 108 4.150 40.808 5.476 1.00 0.00 H ATOM 1077 N GLN A 109 5.016 38.602 3.239 1.00 46.02 N ATOM 1078 CA GLN A 109 5.146 37.910 1.967 1.00 44.86 C ATOM 1079 C GLN A 109 5.109 38.915 0.824 1.00 41.98 C ATOM 1080 O GLN A 109 4.551 40.008 0.957 1.00 38.42 O ATOM 1081 CB GLN A 109 4.034 36.880 1.776 1.00 44.49 C ATOM 1082 CG GLN A 109 3.764 36.016 2.988 1.00 48.05 C ATOM 1083 CD GLN A 109 2.641 35.032 2.739 1.00 56.61 C ATOM 1084 OE1 GLN A 109 2.534 34.465 1.652 1.00 61.92 O ATOM 1085 NE2 GLN A 109 1.787 34.834 3.740 1.00 57.59 N ATOM 1086 HE22 GLN A 109 1.917 35.336 4.642 1.00 0.00 H ATOM 1087 HE21 GLN A 109 0.989 34.178 3.621 1.00 0.00 H ATOM 1088 H GLN A 109 4.210 39.244 3.379 1.00 0.00 H ATOM 1089 N GLU A 110 5.720 38.531 -0.304 1.00 29.53 N ATOM 1090 CA GLU A 110 5.577 39.310 -1.534 1.00 32.77 C ATOM 1091 C GLU A 110 4.106 39.443 -1.930 1.00 30.87 C ATOM 1092 O GLU A 110 3.674 40.501 -2.408 1.00 25.80 O ATOM 1093 CB GLU A 110 6.393 38.660 -2.662 1.00 36.20 C ATOM 1094 CG GLU A 110 6.582 39.506 -3.931 1.00 47.13 C ATOM 1095 CD GLU A 110 5.304 39.681 -4.743 1.00 64.57 C ATOM 1096 OE1 GLU A 110 4.644 38.665 -5.050 1.00 71.53 O ATOM 1097 OE2 GLU A 110 4.947 40.840 -5.053 1.00 66.90 O ATOM 1098 H GLU A 110 6.303 37.669 -0.306 1.00 0.00 H ATOM 1099 N SER A 111 3.324 38.380 -1.751 1.00 31.57 N ATOM 1100 CA SER A 111 1.893 38.432 -2.036 1.00 31.52 C ATOM 1101 C SER A 111 1.166 37.452 -1.135 1.00 35.46 C ATOM 1102 O SER A 111 1.698 36.393 -0.784 1.00 34.31 O ATOM 1103 CB SER A 111 1.584 38.100 -3.497 1.00 32.33 C ATOM 1104 OG SER A 111 2.159 36.854 -3.850 1.00 36.20 O ATOM 1105 HG SER A 111 1.786 36.144 -3.270 1.00 0.00 H ATOM 1106 H SER A 111 3.741 37.494 -1.401 1.00 0.00 H ATOM 1107 N TYR A 112 -0.070 37.796 -0.786 1.00 26.05 N ATOM 1108 CA TYR A 112 -0.826 36.916 0.083 1.00 25.92 C ATOM 1109 C TYR A 112 -2.297 37.240 -0.077 1.00 25.45 C ATOM 1110 O TYR A 112 -2.666 38.379 -0.369 1.00 23.15 O ATOM 1111 CB TYR A 112 -0.385 37.047 1.549 1.00 24.38 C ATOM 1112 CG TYR A 112 -0.566 38.434 2.126 1.00 26.84 C ATOM 1113 CD1 TYR A 112 -1.709 38.760 2.848 1.00 27.93 C ATOM 1114 CD2 TYR A 112 0.394 39.429 1.928 1.00 26.06 C ATOM 1115 CE1 TYR A 112 -1.888 40.032 3.377 1.00 24.70 C ATOM 1116 CE2 TYR A 112 0.223 40.712 2.454 1.00 26.80 C ATOM 1117 CZ TYR A 112 -0.922 41.002 3.181 1.00 29.07 C ATOM 1118 OH TYR A 112 -1.109 42.259 3.714 1.00 22.30 O ATOM 1119 HH TYR A 112 -1.973 42.286 4.197 1.00 0.00 H ATOM 1120 H TYR A 112 -0.488 38.683 -1.131 1.00 0.00 H ATOM 1121 N GLU A 113 -3.124 36.222 0.107 1.00 27.06 N ATOM 1122 CA GLU A 113 -4.562 36.329 -0.088 1.00 24.78 C ATOM 1123 C GLU A 113 -5.263 35.977 1.215 1.00 30.63 C ATOM 1124 O GLU A 113 -4.808 35.096 1.950 1.00 30.14 O ATOM 1125 CB GLU A 113 -5.024 35.402 -1.218 1.00 28.75 C ATOM 1126 CG GLU A 113 -4.363 35.655 -2.567 1.00 32.24 C ATOM 1127 CD GLU A 113 -2.915 35.172 -2.620 1.00 46.69 C ATOM 1128 OE1 GLU A 113 -2.021 35.977 -2.961 1.00 44.40 O ATOM 1129 OE2 GLU A 113 -2.672 33.990 -2.302 1.00 48.80 O ATOM 1130 H GLU A 113 -2.729 35.307 0.404 1.00 0.00 H ATOM 1131 N VAL A 114 -6.362 36.674 1.508 1.00 25.10 N ATOM 1132 CA VAL A 114 -7.145 36.451 2.719 1.00 25.90 C ATOM 1133 C VAL A 114 -8.609 36.357 2.316 1.00 28.34 C ATOM 1134 O VAL A 114 -9.080 37.154 1.503 1.00 22.03 O ATOM 1135 CB VAL A 114 -6.941 37.578 3.751 1.00 24.05 C ATOM 1136 CG1 VAL A 114 -7.744 37.302 5.003 1.00 30.61 C ATOM 1137 CG2 VAL A 114 -5.449 37.741 4.086 1.00 32.66 C ATOM 1138 H VAL A 114 -6.675 37.410 0.843 1.00 0.00 H ATOM 1139 N GLU A 115 -9.330 35.394 2.876 1.00 29.67 N ATOM 1140 CA GLU A 115 -10.723 35.205 2.512 1.00 26.94 C ATOM 1141 C GLU A 115 -11.633 35.643 3.652 1.00 31.48 C ATOM 1142 O GLU A 115 -11.323 35.433 4.828 1.00 29.62 O ATOM 1143 CB GLU A 115 -10.973 33.750 2.115 1.00 29.79 C ATOM 1144 CG GLU A 115 -10.394 33.448 0.745 1.00 30.71 C ATOM 1145 CD GLU A 115 -10.225 31.973 0.472 1.00 39.13 C ATOM 1146 OE1 GLU A 115 -10.932 31.167 1.112 1.00 42.20 O ATOM 1147 OE2 GLU A 115 -9.385 31.622 -0.387 1.00 44.10 O ATOM 1148 H GLU A 115 -8.893 34.768 3.583 1.00 0.00 H ATOM 1149 N HIS A 116 -12.739 36.297 3.303 1.00 23.74 N ATOM 1150 CA HIS A 116 -13.716 36.721 4.291 1.00 24.38 C ATOM 1151 C HIS A 116 -15.097 36.327 3.809 1.00 24.86 C ATOM 1152 O HIS A 116 -15.397 36.426 2.615 1.00 20.98 O ATOM 1153 CB HIS A 116 -13.673 38.234 4.534 1.00 25.98 C ATOM 1154 CG HIS A 116 -12.383 38.709 5.117 1.00 33.47 C ATOM 1155 ND1 HIS A 116 -12.154 38.755 6.476 1.00 34.24 N ATOM 1156 CD2 HIS A 116 -11.246 39.148 4.526 1.00 32.42 C ATOM 1157 CE1 HIS A 116 -10.932 39.210 6.697 1.00 36.71 C ATOM 1158 NE2 HIS A 116 -10.359 39.450 5.531 1.00 34.56 N ATOM 1159 H HIS A 116 -12.908 36.509 2.299 1.00 0.00 H ATOM 1160 N VAL A 117 -15.924 35.882 4.748 1.00 24.26 N ATOM 1161 CA VAL A 117 -17.306 35.510 4.482 1.00 23.18 C ATOM 1162 C VAL A 117 -18.189 36.685 4.868 1.00 18.49 C ATOM 1163 O VAL A 117 -18.058 37.232 5.969 1.00 24.05 O ATOM 1164 CB VAL A 117 -17.694 34.240 5.260 1.00 23.56 C ATOM 1165 CG1 VAL A 117 -19.134 33.863 4.970 1.00 27.39 C ATOM 1166 CG2 VAL A 117 -16.765 33.092 4.898 1.00 24.30 C ATOM 1167 H VAL A 117 -15.567 35.795 5.721 1.00 0.00 H ATOM 1168 N ILE A 118 -19.070 37.092 3.967 1.00 19.30 N ATOM 1169 CA ILE A 118 -20.050 38.114 4.298 1.00 20.77 C ATOM 1170 C ILE A 118 -21.447 37.555 4.060 1.00 18.43 C ATOM 1171 O ILE A 118 -21.653 36.670 3.223 1.00 18.00 O ATOM 1172 CB ILE A 118 -19.841 39.408 3.494 1.00 17.81 C ATOM 1173 CG1 ILE A 118 -19.945 39.144 1.995 1.00 18.92 C ATOM 1174 CG2 ILE A 118 -18.492 40.042 3.847 1.00 27.80 C ATOM 1175 CD1 ILE A 118 -19.822 40.396 1.141 1.00 20.79 C ATOM 1176 H ILE A 118 -19.061 36.677 3.014 1.00 0.00 H ATOM 1177 N GLN A 119 -22.404 38.078 4.822 1.00 22.36 N ATOM 1178 CA GLN A 119 -23.819 37.744 4.686 1.00 20.42 C ATOM 1179 C GLN A 119 -24.494 38.832 3.857 1.00 18.75 C ATOM 1180 O GLN A 119 -24.331 40.025 4.139 1.00 22.23 O ATOM 1181 CB GLN A 119 -24.484 37.621 6.059 1.00 23.70 C ATOM 1182 CG GLN A 119 -24.443 36.236 6.660 1.00 37.10 C ATOM 1183 CD GLN A 119 -25.184 36.169 7.978 1.00 49.76 C ATOM 1184 OE1 GLN A 119 -25.341 37.178 8.668 1.00 53.13 O ATOM 1185 NE2 GLN A 119 -25.656 34.981 8.330 1.00 57.98 N ATOM 1186 HE22 GLN A 119 -25.499 34.156 7.716 1.00 0.00 H ATOM 1187 HE21 GLN A 119 -26.183 34.874 9.220 1.00 0.00 H ATOM 1188 H GLN A 119 -22.129 38.763 5.555 1.00 0.00 H ATOM 1189 N ILE A 120 -25.222 38.419 2.823 1.00 18.20 N ATOM 1190 CA ILE A 120 -25.807 39.337 1.850 1.00 17.52 C ATOM 1191 C ILE A 120 -27.314 39.124 1.788 1.00 20.89 C ATOM 1192 O ILE A 120 -27.769 37.983 1.632 1.00 19.89 O ATOM 1193 CB ILE A 120 -25.186 39.130 0.464 1.00 17.77 C ATOM 1194 CG1 ILE A 120 -23.657 39.277 0.536 1.00 21.24 C ATOM 1195 CG2 ILE A 120 -25.815 40.091 -0.551 1.00 15.94 C ATOM 1196 CD1 ILE A 120 -22.948 38.750 -0.679 1.00 20.64 C ATOM 1197 H ILE A 120 -25.381 37.398 2.703 1.00 0.00 H ATOM 1198 N PRO A 121 -28.117 40.175 1.892 1.00 18.76 N ATOM 1199 CA PRO A 121 -29.576 39.997 1.860 1.00 19.64 C ATOM 1200 C PRO A 121 -30.077 39.588 0.483 1.00 21.68 C ATOM 1201 O PRO A 121 -29.405 39.751 -0.537 1.00 17.87 O ATOM 1202 CB PRO A 121 -30.116 41.372 2.255 1.00 19.99 C ATOM 1203 CG PRO A 121 -29.005 42.320 1.951 1.00 25.46 C ATOM 1204 CD PRO A 121 -27.725 41.564 2.181 1.00 17.14 C ATOM 1205 N LEU A 122 -31.308 39.059 0.470 1.00 18.34 N ATOM 1206 CA LEU A 122 -31.937 38.529 -0.735 1.00 18.97 C ATOM 1207 C LEU A 122 -33.187 39.313 -1.115 1.00 24.82 C ATOM 1208 O LEU A 122 -34.119 38.756 -1.703 1.00 20.94 O ATOM 1209 CB LEU A 122 -32.284 37.051 -0.533 1.00 18.91 C ATOM 1210 CG LEU A 122 -31.093 36.115 -0.359 1.00 21.34 C ATOM 1211 CD1 LEU A 122 -31.574 34.700 0.020 1.00 21.78 C ATOM 1212 CD2 LEU A 122 -30.248 36.105 -1.630 1.00 21.55 C ATOM 1213 H LEU A 122 -31.841 39.025 1.362 1.00 0.00 H ATOM 1214 N ASN A 123 -33.235 40.601 -0.777 1.00 21.53 N ATOM 1215 CA ASN A 123 -34.452 41.385 -0.940 1.00 23.93 C ATOM 1216 C ASN A 123 -34.321 42.497 -1.975 1.00 22.70 C ATOM 1217 O ASN A 123 -35.224 43.332 -2.082 1.00 19.45 O ATOM 1218 CB ASN A 123 -34.885 41.969 0.405 1.00 26.72 C ATOM 1219 CG ASN A 123 -33.847 42.890 1.004 1.00 28.12 C ATOM 1220 OD1 ASN A 123 -32.710 42.970 0.528 1.00 21.22 O ATOM 1221 ND2 ASN A 123 -34.230 43.589 2.066 1.00 28.90 N ATOM 1222 HD22 ASN A 123 -35.198 43.490 2.432 1.00 0.00 H ATOM 1223 HD21 ASN A 123 -33.562 44.236 2.531 1.00 0.00 H ATOM 1224 H ASN A 123 -32.385 41.057 -0.388 1.00 0.00 H ATOM 1225 N LYS A 124 -33.229 42.532 -2.732 1.00 18.57 N ATOM 1226 CA LYS A 124 -33.021 43.538 -3.773 1.00 16.04 C ATOM 1227 C LYS A 124 -32.863 42.838 -5.115 1.00 18.12 C ATOM 1228 O LYS A 124 -31.802 42.244 -5.378 1.00 18.59 O ATOM 1229 CB LYS A 124 -31.789 44.394 -3.466 1.00 16.65 C ATOM 1230 CG LYS A 124 -31.931 45.250 -2.214 1.00 18.36 C ATOM 1231 CD LYS A 124 -33.028 46.315 -2.384 1.00 18.79 C ATOM 1232 CE LYS A 124 -32.962 47.381 -1.304 1.00 26.56 C ATOM 1233 NZ LYS A 124 -33.188 46.817 0.046 1.00 33.77 N ATOM 1234 HZ1 LYS A 124 -34.128 46.374 0.083 1.00 0.00 H ATOM 1235 HZ2 LYS A 124 -32.459 46.103 0.248 1.00 0.00 H ATOM 1236 HZ3 LYS A 124 -33.134 47.579 0.752 1.00 0.00 H ATOM 1237 H LYS A 124 -32.492 41.814 -2.578 1.00 0.00 H ATOM 1238 N PRO A 125 -33.871 42.895 -5.990 1.00 20.66 N ATOM 1239 CA PRO A 125 -33.839 42.092 -7.230 1.00 21.60 C ATOM 1240 C PRO A 125 -32.536 42.138 -8.019 1.00 18.03 C ATOM 1241 O PRO A 125 -32.048 41.088 -8.452 1.00 17.34 O ATOM 1242 CB PRO A 125 -35.004 42.694 -8.029 1.00 21.19 C ATOM 1243 CG PRO A 125 -35.988 43.080 -6.961 1.00 23.22 C ATOM 1244 CD PRO A 125 -35.163 43.580 -5.800 1.00 20.98 C ATOM 1245 N LEU A 126 -31.962 43.324 -8.235 1.00 17.30 N ATOM 1246 CA LEU A 126 -30.753 43.391 -9.056 1.00 15.14 C ATOM 1247 C LEU A 126 -29.563 42.752 -8.355 1.00 15.96 C ATOM 1248 O LEU A 126 -28.694 42.173 -9.018 1.00 16.64 O ATOM 1249 CB LEU A 126 -30.429 44.835 -9.425 1.00 18.71 C ATOM 1250 CG LEU A 126 -31.370 45.538 -10.407 1.00 18.85 C ATOM 1251 CD1 LEU A 126 -30.753 46.899 -10.772 1.00 19.74 C ATOM 1252 CD2 LEU A 126 -31.634 44.693 -11.649 1.00 26.86 C ATOM 1253 H LEU A 126 -32.369 44.189 -7.825 1.00 0.00 H ATOM 1254 N LEU A 127 -29.499 42.858 -7.027 1.00 12.63 N ATOM 1255 CA LEU A 127 -28.436 42.191 -6.280 1.00 14.51 C ATOM 1256 C LEU A 127 -28.636 40.684 -6.284 1.00 15.30 C ATOM 1257 O LEU A 127 -27.674 39.920 -6.416 1.00 15.38 O ATOM 1258 CB LEU A 127 -28.401 42.720 -4.847 1.00 15.38 C ATOM 1259 CG LEU A 127 -27.374 42.091 -3.885 1.00 15.74 C ATOM 1260 CD1 LEU A 127 -25.954 42.123 -4.442 1.00 14.81 C ATOM 1261 CD2 LEU A 127 -27.414 42.787 -2.523 1.00 15.82 C ATOM 1262 H LEU A 127 -30.212 43.420 -6.519 1.00 0.00 H ATOM 1263 N THR A 128 -29.886 40.245 -6.166 1.00 17.37 N ATOM 1264 CA THR A 128 -30.181 38.815 -6.155 1.00 19.27 C ATOM 1265 C THR A 128 -29.818 38.167 -7.486 1.00 17.99 C ATOM 1266 O THR A 128 -29.256 37.070 -7.515 1.00 19.72 O ATOM 1267 CB THR A 128 -31.655 38.610 -5.811 1.00 16.36 C ATOM 1268 OG1 THR A 128 -31.912 39.196 -4.526 1.00 18.92 O ATOM 1269 CG2 THR A 128 -32.014 37.107 -5.778 1.00 22.41 C ATOM 1270 HG1 THR A 128 -31.705 40.163 -4.558 1.00 0.00 H ATOM 1271 H THR A 128 -30.664 40.930 -6.080 1.00 0.00 H ATOM 1272 N GLU A 129 -30.092 38.852 -8.600 1.00 19.54 N ATOM 1273 CA GLU A 129 -29.695 38.326 -9.903 1.00 21.09 C ATOM 1274 C GLU A 129 -28.186 38.274 -10.047 1.00 26.24 C ATOM 1275 O GLU A 129 -27.643 37.360 -10.680 1.00 25.82 O ATOM 1276 CB GLU A 129 -30.301 39.174 -11.017 1.00 24.39 C ATOM 1277 CG GLU A 129 -31.802 39.013 -11.111 1.00 27.82 C ATOM 1278 CD GLU A 129 -32.386 39.687 -12.339 1.00 41.78 C ATOM 1279 OE1 GLU A 129 -31.620 40.342 -13.075 1.00 41.41 O ATOM 1280 OE2 GLU A 129 -33.609 39.560 -12.563 1.00 42.29 O ATOM 1281 H GLU A 129 -30.590 39.763 -8.539 1.00 0.00 H ATOM 1282 N GLU A 130 -27.490 39.255 -9.479 1.00 17.45 N ATOM 1283 CA GLU A 130 -26.036 39.244 -9.548 1.00 17.97 C ATOM 1284 C GLU A 130 -25.464 38.110 -8.705 1.00 19.30 C ATOM 1285 O GLU A 130 -24.513 37.429 -9.120 1.00 24.66 O ATOM 1286 CB GLU A 130 -25.514 40.609 -9.097 1.00 20.40 C ATOM 1287 CG GLU A 130 -24.201 41.026 -9.686 1.00 28.29 C ATOM 1288 CD GLU A 130 -24.240 41.172 -11.197 1.00 27.79 C ATOM 1289 OE1 GLU A 130 -25.318 41.442 -11.773 1.00 26.33 O ATOM 1290 OE2 GLU A 130 -23.166 41.023 -11.802 1.00 31.59 O ATOM 1291 H GLU A 130 -27.983 40.027 -8.987 1.00 0.00 H ATOM 1292 N LEU A 131 -26.069 37.856 -7.543 1.00 20.00 N ATOM 1293 CA LEU A 131 -25.578 36.804 -6.658 1.00 22.86 C ATOM 1294 C LEU A 131 -25.640 35.431 -7.310 1.00 25.04 C ATOM 1295 O LEU A 131 -24.871 34.536 -6.940 1.00 27.11 O ATOM 1296 CB LEU A 131 -26.383 36.788 -5.362 1.00 20.48 C ATOM 1297 CG LEU A 131 -26.049 37.861 -4.339 1.00 24.53 C ATOM 1298 CD1 LEU A 131 -27.160 37.934 -3.312 1.00 15.75 C ATOM 1299 CD2 LEU A 131 -24.716 37.541 -3.678 1.00 18.49 C ATOM 1300 H LEU A 131 -26.901 38.415 -7.264 1.00 0.00 H ATOM 1301 N ALA A 132 -26.552 35.239 -8.267 1.00 23.75 N ATOM 1302 CA ALA A 132 -26.680 33.941 -8.922 1.00 28.01 C ATOM 1303 C ALA A 132 -25.424 33.549 -9.687 1.00 30.26 C ATOM 1304 O ALA A 132 -25.194 32.356 -9.894 1.00 33.08 O ATOM 1305 CB ALA A 132 -27.891 33.941 -9.863 1.00 27.78 C ATOM 1306 H ALA A 132 -27.177 36.022 -8.548 1.00 0.00 H ATOM 1307 N LYS A 133 -24.593 34.517 -10.089 1.00 28.95 N ATOM 1308 CA LYS A 133 -23.357 34.195 -10.801 1.00 29.15 C ATOM 1309 C LYS A 133 -22.343 33.460 -9.934 1.00 33.00 C ATOM 1310 O LYS A 133 -21.456 32.795 -10.473 1.00 34.44 O ATOM 1311 CB LYS A 133 -22.699 35.467 -11.339 1.00 31.35 C ATOM 1312 CG LYS A 133 -23.587 36.327 -12.221 1.00 37.08 C ATOM 1313 CD LYS A 133 -22.834 37.570 -12.671 1.00 37.06 C ATOM 1314 CE LYS A 133 -23.665 38.426 -13.606 1.00 41.64 C ATOM 1315 NZ LYS A 133 -22.895 39.639 -13.995 1.00 44.16 N ATOM 1316 HZ1 LYS A 133 -22.660 40.187 -13.143 1.00 0.00 H ATOM 1317 HZ2 LYS A 133 -22.019 39.352 -14.477 1.00 0.00 H ATOM 1318 HZ3 LYS A 133 -23.470 40.222 -14.636 1.00 0.00 H ATOM 1319 H LYS A 133 -24.829 35.511 -9.893 1.00 0.00 H ATOM 1320 N SER A 134 -22.435 33.572 -8.612 1.00 29.75 N ATOM 1321 CA SER A 134 -21.405 33.048 -7.726 1.00 29.80 C ATOM 1322 C SER A 134 -21.862 31.866 -6.880 1.00 31.73 C ATOM 1323 O SER A 134 -21.067 31.345 -6.091 1.00 34.39 O ATOM 1324 CB SER A 134 -20.881 34.165 -6.812 1.00 30.13 C ATOM 1325 OG SER A 134 -21.944 34.882 -6.197 1.00 26.92 O ATOM 1326 HG SER A 134 -22.512 35.291 -6.897 1.00 0.00 H ATOM 1327 H SER A 134 -23.264 34.046 -8.200 1.00 0.00 H ATOM 1328 N GLY A 135 -23.101 31.423 -7.012 1.00 27.48 N ATOM 1329 CA GLY A 135 -23.551 30.282 -6.246 1.00 33.41 C ATOM 1330 C GLY A 135 -25.059 30.296 -6.095 1.00 27.92 C ATOM 1331 O GLY A 135 -25.758 31.098 -6.709 1.00 27.88 O ATOM 1332 H GLY A 135 -23.754 31.897 -7.669 1.00 0.00 H ATOM 1333 N SER A 136 -25.536 29.379 -5.263 1.00 32.21 N ATOM 1334 CA SER A 136 -26.967 29.259 -5.028 1.00 35.98 C ATOM 1335 C SER A 136 -27.480 30.446 -4.221 1.00 33.99 C ATOM 1336 O SER A 136 -26.744 31.071 -3.449 1.00 32.69 O ATOM 1337 CB SER A 136 -27.284 27.947 -4.300 1.00 35.34 C ATOM 1338 OG SER A 136 -26.522 27.825 -3.109 1.00 41.79 O ATOM 1339 HG SER A 136 -26.746 26.971 -2.661 1.00 0.00 H ATOM 1340 H SER A 136 -24.879 28.738 -4.773 1.00 0.00 H ATOM 1341 N THR A 137 -28.759 30.749 -4.411 1.00 27.76 N ATOM 1342 CA THR A 137 -29.414 31.868 -3.748 1.00 29.81 C ATOM 1343 C THR A 137 -30.718 31.407 -3.088 1.00 35.60 C ATOM 1344 O THR A 137 -31.335 30.430 -3.527 1.00 34.37 O ATOM 1345 CB THR A 137 -29.710 32.994 -4.739 1.00 32.01 C ATOM 1346 OG1 THR A 137 -30.330 32.441 -5.906 1.00 30.97 O ATOM 1347 CG2 THR A 137 -28.423 33.690 -5.150 1.00 27.04 C ATOM 1348 OXT THR A 137 -31.187 31.989 -2.108 1.00 31.68 O ATOM 1349 HG1 THR A 137 -29.719 31.783 -6.322 1.00 0.00 H ATOM 1350 H THR A 137 -29.318 30.161 -5.062 1.00 0.00 H TER 1351 THR A 137 HETATM 1352 O HOH 1 -4.242 43.393 11.762 1.00 45.85 O HETATM 1353 O HOH 2 -5.412 44.299 -11.717 1.00 48.04 O HETATM 1354 O HOH 3 11.560 59.443 13.937 1.00 34.38 O HETATM 1355 O HOH 4 20.954 53.215 10.802 1.00 52.44 O HETATM 1356 O HOH 5 -18.928 49.496 -12.105 1.00 40.64 O HETATM 1357 O HOH 6 -19.814 32.921 -12.324 1.00 43.93 O HETATM 1358 O HOH 7 -25.374 50.467 -3.720 1.00 19.08 O HETATM 1359 O HOH 8 -7.378 40.234 -8.808 1.00 40.21 O HETATM 1360 O HOH 9 -32.274 34.475 15.102 1.00 48.57 O HETATM 1361 O HOH 10 -8.387 41.005 5.318 1.00 43.33 O HETATM 1362 O HOH 11 -3.763 50.849 -9.868 1.00 47.71 O HETATM 1363 O HOH 12 -13.806 53.629 -12.475 1.00 40.88 O HETATM 1364 O HOH 13 -28.675 31.041 -7.230 1.00 34.63 O HETATM 1365 O HOH 14 -29.714 41.960 -13.550 1.00 34.43 O HETATM 1366 O HOH 15 -5.545 55.675 -4.289 1.00 33.70 O HETATM 1367 O HOH 16 -31.357 45.065 1.101 1.00 30.03 O HETATM 1368 O HOH 17 -10.424 28.689 -4.211 1.00 38.26 O HETATM 1369 O HOH 18 -2.123 38.353 -3.931 1.00 30.45 O HETATM 1370 O HOH 19 10.997 56.110 15.274 1.00 43.91 O HETATM 1371 O HOH 20 -33.949 40.308 6.630 1.00 40.83 O HETATM 1372 O HOH 21 -29.051 31.402 2.284 1.00 37.74 O HETATM 1373 O HOH 22 -19.452 57.247 0.051 1.00 40.10 O HETATM 1374 O HOH 23 -33.296 39.548 2.641 1.00 21.68 O HETATM 1375 O HOH 24 -27.287 44.353 4.782 1.00 32.81 O HETATM 1376 O HOH 25 9.491 48.857 5.074 1.00 25.39 O HETATM 1377 O HOH 26 -13.157 58.490 -0.935 1.00 29.81 O HETATM 1378 O HOH 27 -30.305 45.596 3.290 1.00 28.84 O HETATM 1379 O HOH 28 -22.297 37.069 -7.725 1.00 24.63 O HETATM 1380 O HOH 29 -13.338 41.639 -8.517 1.00 18.49 O HETATM 1381 O HOH 30 -8.573 50.702 -9.477 1.00 29.99 O HETATM 1382 O HOH 31 0.149 34.435 -2.973 1.00 39.59 O HETATM 1383 O HOH 32 12.991 52.217 -0.458 1.00 19.69 O HETATM 1384 O HOH 33 -32.441 30.907 -6.500 1.00 29.21 O HETATM 1385 O HOH 34 -18.648 32.610 -2.338 1.00 26.07 O HETATM 1386 O HOH 35 -20.560 38.636 -9.293 1.00 33.16 O HETATM 1387 O HOH 36 16.563 55.921 6.384 1.00 33.73 O HETATM 1388 O HOH 37 -31.096 51.431 -7.067 1.00 31.69 O HETATM 1389 O HOH 38 -26.815 25.423 -1.922 1.00 53.71 O HETATM 1390 O HOH 39 -9.384 30.281 -7.041 1.00 36.47 O HETATM 1391 O HOH 40 3.172 60.319 5.880 1.00 54.61 O HETATM 1392 O HOH 41 -33.262 45.815 -7.361 1.00 18.52 O HETATM 1393 O HOH 42 -5.289 34.144 -5.563 1.00 42.02 O HETATM 1394 O HOH 43 -27.168 48.922 -7.597 1.00 34.61 O HETATM 1395 O HOH 44 -31.040 31.028 5.549 1.00 39.76 O HETATM 1396 O HOH 45 -4.514 39.834 1.071 1.00 25.09 O HETATM 1397 O HOH 46 -22.091 45.511 -10.576 1.00 31.15 O HETATM 1398 O HOH 47 -30.572 27.890 -4.188 1.00 39.23 O HETATM 1399 O HOH 48 -24.872 49.391 -0.129 1.00 13.97 O HETATM 1400 O HOH 49 -12.068 50.636 -9.606 1.00 24.83 O HETATM 1401 O HOH 50 -29.783 50.698 3.022 1.00 32.23 O HETATM 1402 O HOH 51 -4.330 61.889 6.649 1.00 43.48 O HETATM 1403 O HOH 52 11.433 58.616 1.569 1.00 25.65 O HETATM 1404 O HOH 53 -28.003 42.676 -11.649 1.00 24.86 O HETATM 1405 O HOH 54 -31.341 33.675 13.107 1.00 50.62 O HETATM 1406 O HOH 55 -11.737 52.710 9.421 1.00 43.07 O HETATM 1407 O HOH 56 14.231 59.296 4.713 1.00 40.67 O HETATM 1408 O HOH 57 -34.622 39.770 -4.646 1.00 28.58 O HETATM 1409 O HOH 58 16.844 57.825 3.449 1.00 37.85 O HETATM 1410 O HOH 59 -20.696 31.036 -3.349 1.00 33.25 O HETATM 1411 O HOH 60 -19.024 47.845 -9.353 1.00 25.10 O HETATM 1412 O HOH 61 -17.958 53.506 7.585 1.00 34.92 O HETATM 1413 O HOH 62 -5.550 52.195 -8.447 1.00 35.66 O HETATM 1414 O HOH 63 -17.068 57.962 -2.083 1.00 35.70 O HETATM 1415 O HOH 64 -30.683 41.051 -2.824 1.00 17.71 O HETATM 1416 O HOH 65 -9.050 56.110 7.041 1.00 30.02 O HETATM 1417 O HOH 66 16.833 55.687 -2.759 1.00 36.29 O HETATM 1418 O HOH 67 -26.901 33.430 5.836 1.00 35.03 O HETATM 1419 O HOH 68 -12.861 52.989 -9.768 1.00 26.20 O HETATM 1420 O HOH 69 -9.923 60.972 0.359 1.00 38.61 O HETATM 1421 O HOH 70 -37.352 45.018 -2.993 1.00 36.02 O HETATM 1422 O HOH 71 -21.630 39.943 6.858 1.00 26.39 O HETATM 1423 O HOH 72 -9.427 48.290 -10.260 1.00 25.69 O HETATM 1424 O HOH 73 -10.914 48.090 -12.526 1.00 29.99 O HETATM 1425 O HOH 74 -1.210 38.252 6.799 1.00 37.18 O HETATM 1426 O HOH 75 -25.305 30.789 2.517 1.00 29.33 O HETATM 1427 O HOH 76 -1.899 33.842 1.189 1.00 37.12 O HETATM 1428 O HOH 77 -17.195 53.375 -14.296 1.00 45.77 O HETATM 1429 O HOH 78 -3.127 43.260 -5.300 1.00 26.82 O HETATM 1430 O HOH 79 8.974 56.235 -7.248 1.00 46.20 O HETATM 1431 O HOH 80 -19.289 31.458 1.602 1.00 36.87 O HETATM 1432 O HOH 81 11.384 50.629 -8.739 1.00 42.62 O HETATM 1433 O HOH 82 -14.820 30.332 2.916 1.00 40.73 O HETATM 1434 O HOH 83 -20.259 51.800 -9.575 1.00 35.55 O HETATM 1435 O HOH 84 2.409 51.244 4.011 1.00 34.27 O HETATM 1436 O HOH 85 -9.894 31.372 -10.489 1.00 35.80 O HETATM 1437 O HOH 86 -9.329 37.062 -10.723 1.00 33.91 O HETATM 1438 O HOH 87 8.578 41.686 -2.186 1.00 44.18 O HETATM 1439 O HOH 88 -17.099 53.898 4.339 1.00 25.18 O HETATM 1440 O HOH 89 19.379 54.921 5.490 1.00 42.50 O HETATM 1441 O HOH 90 4.317 35.300 -1.798 1.00 45.19 O HETATM 1442 O HOH 91 -32.389 44.102 4.412 1.00 39.82 O HETATM 1443 O HOH 92 -4.232 53.603 -6.713 1.00 30.03 O HETATM 1444 O HOH 93 -19.134 38.287 -11.843 1.00 33.05 O HETATM 1445 O HOH 94 -14.807 35.300 7.515 1.00 29.65 O HETATM 1446 O HOH 95 -7.930 32.815 3.686 1.00 37.35 O HETATM 1447 O HOH 96 2.311 47.522 -7.577 1.00 52.05 O HETATM 1448 O HOH 97 -35.763 33.663 14.096 1.00 45.44 O HETATM 1449 O HOH 98 -29.836 57.523 -5.407 1.00 46.56 O HETATM 1450 O HOH 99 -5.919 32.236 1.960 1.00 42.31 O HETATM 1451 O HOH 100 -32.480 50.534 -3.378 1.00 35.02 O HETATM 1452 O HOH 101 -10.018 59.070 7.945 1.00 26.34 O HETATM 1453 O HOH 102 -32.925 49.446 1.671 1.00 50.77 O HETATM 1454 O HOH 103 -10.303 61.187 2.831 1.00 39.08 O HETATM 1455 O HOH 104 -29.094 35.871 -12.986 1.00 47.69 O HETATM 1456 O HOH 105 -12.965 33.072 6.002 1.00 41.29 O HETATM 1457 O HOH 106 -4.676 63.498 4.649 1.00 42.38 O HETATM 1458 O HOH 107 -20.838 30.338 0.283 1.00 41.41 O HETATM 1459 O HOH 108 -31.150 43.616 10.963 1.00 34.26 O HETATM 1460 O HOH 109 0.617 37.269 5.377 1.00 46.23 O HETATM 1461 O HOH 110 -32.563 56.600 -4.878 1.00 45.35 O HETATM 1462 O HOH 111 -9.379 56.813 -5.328 1.00 36.36 O HETATM 1463 O HOH 112 15.722 51.774 -0.959 1.00 26.73 O HETATM 1464 O HOH 113 -19.959 44.715 8.606 1.00 34.79 O HETATM 1465 O HOH 114 -33.820 49.237 -4.952 1.00 33.80 O HETATM 1466 O HOH 115 -14.005 43.493 -13.913 1.00 39.16 O HETATM 1467 O HOH 116 7.824 49.281 -9.430 1.00 46.47 O HETATM 1468 O HOH 117 -11.946 37.724 -11.061 1.00 33.91 O HETATM 1469 O HOH 118 16.589 51.505 12.590 1.00 39.50 O HETATM 1470 O HOH 119 -0.101 40.148 11.153 1.00 52.81 O HETATM 1471 O HOH 120 -29.361 51.939 -5.537 1.00 52.17 O HETATM 1472 O HOH 121 -26.255 44.885 -11.617 1.00 36.73 O HETATM 1473 O HOH 122 -2.030 39.339 10.258 1.00 51.15 O HETATM 1474 O HOH 123 -32.724 41.606 4.700 1.00 31.04 O HETATM 1475 O HOH 124 -22.328 53.169 -2.497 1.00 41.93 O HETATM 1476 O HOH 125 21.138 51.609 12.716 1.00 42.78 O HETATM 1477 O HOH 126 -31.571 34.520 -9.001 1.00 40.12 O HETATM 1478 O HOH 127 -6.853 42.849 10.667 1.00 44.20 O HETATM 1479 O HOH 128 -9.145 61.585 7.300 1.00 42.41 O HETATM 1480 O HOH 129 3.338 45.179 -6.275 1.00 42.36 O HETATM 1481 O HOH 130 11.426 44.084 -5.740 1.00 37.05 O HETATM 1482 O HOH 131 -0.011 63.261 4.833 1.00 51.37 O HETATM 1483 O HOH 132 -24.761 51.872 -1.537 1.00 24.11 O HETATM 1484 O HOH 133 -32.974 50.780 -0.558 1.00 41.74 O HETATM 1485 O HOH 134 9.969 47.025 -9.906 1.00 51.23 O HETATM 1486 O HOH 135 -11.980 40.657 -10.739 1.00 26.43 O HETATM 1487 O HOH 136 -9.389 54.796 9.581 1.00 42.64 O HETATM 1488 O HOH 137 -12.314 41.889 -13.158 1.00 32.24 O HETATM 1489 O HOH 138 -34.898 49.458 2.814 1.00 38.59 O HETATM 1490 O HOH 139 -24.238 45.682 -12.236 1.00 40.76 O HETATM 1491 O HOH 140 -6.788 47.336 -12.161 1.00 37.61 O HETATM 1492 O HOH 141 -20.830 33.435 11.311 1.00 60.25 O HETATM 1493 O HOH 142 -19.192 30.028 4.272 1.00 42.14 O HETATM 1494 O HOH 143 -19.327 46.109 -11.566 1.00 35.59 O HETATM 1495 O HOH 144 -9.330 40.135 -10.811 1.00 31.44 O HETATM 1496 O HOH 145 -7.945 43.834 -13.545 1.00 43.18 O HETATM 1497 O HOH 146 -9.709 42.000 -13.686 1.00 41.04 O HETATM 1498 O HOH 147 -16.477 35.313 -14.593 1.00 39.77 O HETATM 1499 O HOH 148 -16.284 32.363 -14.567 1.00 49.09 O HETATM 1500 O HOH 149 -5.080 29.530 3.225 1.00 58.50 O HETATM 1501 O HOH 150 10.428 46.727 5.315 1.00 30.13 O HETATM 1502 O HOH 151 4.954 43.947 7.930 1.00 31.87 O HETATM 1503 O HOH 152 -0.104 47.600 14.044 1.00 54.92 O HETATM 1504 O HOH 153 3.228 42.182 9.720 1.00 42.14 O HETATM 1505 O HOH 154 7.728 47.733 13.436 1.00 50.96 O HETATM 1506 O HOH 155 -3.257 53.940 16.391 1.00 54.79 O HETATM 1507 C ACE A 156 10.444 44.232 7.027 1.00 0.18 C HETATM 1508 O ACE A 156 9.463 44.953 6.864 1.00 -0.40 O HETATM 1509 CH3 ACE A 156 11.797 44.827 7.404 1.00 0.03 C HETATM 1510 H1 ACE A 156 12.538 44.020 7.502 1.00 0.05 H HETATM 1511 H2 ACE A 156 11.709 45.362 8.361 1.00 0.05 H HETATM 1512 H3 ACE A 156 12.120 45.528 6.621 1.00 0.05 H HETATM 1513 N ACE A 156 10.400 42.905 6.886 1.00 -0.27 N HETATM 1514 CA ACE A 156 9.152 42.242 6.526 1.00 0.13 C HETATM 1515 C ACE A 156 8.118 42.292 7.646 1.00 0.20 C HETATM 1516 O ACE A 156 6.924 42.116 7.376 1.00 -0.39 O HETATM 1517 N ACE A 156 8.539 42.542 8.886 1.00 -0.26 N HETATM 1518 CA ACE A 156 7.613 42.669 10.005 1.00 0.16 C HETATM 1519 C ACE A 156 7.328 44.119 10.378 1.00 0.21 C HETATM 1520 O ACE A 156 6.705 44.362 11.416 1.00 -0.39 O HETATM 1521 N ACE A 156 7.778 45.081 9.569 1.00 -0.26 N HETATM 1522 CA ACE A 156 7.523 46.490 9.853 1.00 0.13 C HETATM 1523 C ACE A 156 6.025 46.761 9.935 1.00 0.20 C HETATM 1524 O ACE A 156 5.256 46.332 9.069 1.00 -0.39 O HETATM 1525 N ACE A 156 5.610 47.462 10.991 1.00 -0.26 N HETATM 1526 CA ACE A 156 4.193 47.768 11.216 1.00 0.13 C HETATM 1527 C ACE A 156 4.000 49.148 11.851 1.00 0.20 C HETATM 1528 O ACE A 156 4.842 49.598 12.630 1.00 -0.39 O HETATM 1529 N ACE A 156 2.891 49.808 11.523 1.00 -0.26 N HETATM 1530 CA ACE A 156 2.563 51.112 12.099 1.00 0.13 C HETATM 1531 CB ACE A 156 1.695 51.968 11.171 1.00 -0.01 C HETATM 1532 CG ACE A 156 2.135 51.866 9.719 1.00 -0.05 C HETATM 1533 CD ACE A 156 1.716 53.140 8.996 1.00 -0.03 C HETATM 1534 CE ACE A 156 2.225 53.043 7.566 1.00 0.03 C HETATM 1535 NZ ACE A 156 2.045 54.314 6.894 1.00 -0.29 N HETATM 1536 CH ACE A 156 2.826 54.608 5.705 1.00 0.18 C HETATM 1537 OH ACE A 156 3.604 53.814 5.288 1.00 -0.40 O HETATM 1538 CX ACE A 156 2.631 55.950 5.002 1.00 -0.00 C HETATM 1539 CY ACE A 156 2.857 56.068 3.713 1.00 -0.06 C HETATM 1540 CH3 ACE A 156 2.651 57.420 3.035 1.00 -0.03 C HETATM 1541 H50 ACE A 156 2.885 57.333 1.964 1.00 0.05 H HETATM 1542 H51 ACE A 156 3.315 58.166 3.496 1.00 0.05 H HETATM 1543 H52 ACE A 156 1.604 57.736 3.156 1.00 0.05 H HETATM 1544 H49 ACE A 156 3.189 55.208 3.133 1.00 0.08 H HETATM 1545 H48 ACE A 156 2.302 56.816 5.574 1.00 0.05 H HETATM 1546 H47 ACE A 156 1.389 54.982 7.245 1.00 0.18 H HETATM 1547 H45 ACE A 156 1.663 52.264 7.030 1.00 0.05 H HETATM 1548 H46 ACE A 156 3.294 52.783 7.576 1.00 0.05 H HETATM 1549 H43 ACE A 156 2.158 54.016 9.493 1.00 0.03 H HETATM 1550 H44 ACE A 156 0.620 53.230 8.999 1.00 0.03 H HETATM 1551 H41 ACE A 156 1.655 50.996 9.246 1.00 0.03 H HETATM 1552 H42 ACE A 156 3.228 51.754 9.670 1.00 0.03 H HETATM 1553 H39 ACE A 156 1.765 53.019 11.489 1.00 0.03 H HETATM 1554 H40 ACE A 156 0.651 51.630 11.250 1.00 0.03 H HETATM 1555 C ACE A 156 1.797 50.973 13.417 1.00 0.20 C HETATM 1556 O ACE A 156 1.122 49.938 13.662 1.00 -0.39 O HETATM 1557 N ACE A 156 1.880 52.011 14.246 1.00 -0.27 N HETATM 1558 CA ACE A 156 1.154 52.063 15.508 1.00 0.12 C HETATM 1559 C ACE A 156 -0.334 52.338 15.280 1.00 0.06 C HETATM 1560 O ACE A 156 -0.713 52.965 14.291 1.00 -0.57 O HETATM 1561 OXT ACE A 156 -1.177 51.937 16.082 1.00 -0.57 O HETATM 1562 CB ACE A 156 1.752 53.129 16.431 1.00 0.08 C HETATM 1563 OG ACE A 156 1.013 53.239 17.635 1.00 -0.39 O HETATM 1564 H57 ACE A 156 0.116 53.480 17.434 1.00 0.21 H HETATM 1565 H55 ACE A 156 1.740 54.099 15.913 1.00 0.06 H HETATM 1566 H56 ACE A 156 2.790 52.854 16.671 1.00 0.06 H HETATM 1567 H54 ACE A 156 1.252 51.084 16.000 1.00 0.07 H HETATM 1568 H53 ACE A 156 2.462 52.784 13.993 1.00 0.19 H HETATM 1569 H38 ACE A 156 3.508 51.643 12.289 1.00 0.08 H HETATM 1570 H37 ACE A 156 2.262 49.399 10.862 1.00 0.19 H HETATM 1571 CB ACE A 156 3.546 46.702 12.104 1.00 -0.01 C HETATM 1572 CG ACE A 156 3.642 45.279 11.579 1.00 -0.02 C HETATM 1573 CD ACE A 156 2.830 44.340 12.442 1.00 0.06 C HETATM 1574 NE ACE A 156 1.463 44.827 12.597 1.00 -0.27 N HETATM 1575 CZ ACE A 156 0.492 44.610 11.715 1.00 0.29 C HETATM 1576 NH1 ACE A 156 0.738 43.908 10.615 1.00 -0.28 N HETATM 1577 H33 ACE A 156 -0.015 43.740 9.932 1.00 0.26 H HETATM 1578 H34 ACE A 156 1.681 43.531 10.445 1.00 0.26 H HETATM 1579 NH2 ACE A 156 -0.724 45.093 11.935 1.00 -0.28 N HETATM 1580 H35 ACE A 156 -0.915 45.638 12.788 1.00 0.26 H HETATM 1581 H36 ACE A 156 -1.477 44.923 11.253 1.00 0.26 H HETATM 1582 H32 ACE A 156 1.237 45.372 13.441 1.00 0.26 H HETATM 1583 H30 ACE A 156 3.300 44.265 13.434 1.00 0.07 H HETATM 1584 H31 ACE A 156 2.807 43.346 11.971 1.00 0.07 H HETATM 1585 H28 ACE A 156 4.695 44.960 11.588 1.00 0.03 H HETATM 1586 H29 ACE A 156 3.258 45.247 10.549 1.00 0.03 H HETATM 1587 H26 ACE A 156 2.481 46.953 12.216 1.00 0.03 H HETATM 1588 H27 ACE A 156 4.036 46.736 13.088 1.00 0.03 H HETATM 1589 H25 ACE A 156 3.685 47.764 10.240 1.00 0.08 H HETATM 1590 H24 ACE A 156 6.287 47.789 11.651 1.00 0.19 H HETATM 1591 CB ACE A 156 8.156 47.367 8.773 1.00 -0.02 C HETATM 1592 H21 ACE A 156 7.957 48.425 8.997 1.00 0.03 H HETATM 1593 H22 ACE A 156 7.724 47.112 7.794 1.00 0.03 H HETATM 1594 H23 ACE A 156 9.242 47.194 8.751 1.00 0.03 H HETATM 1595 H20 ACE A 156 7.978 46.740 10.822 1.00 0.08 H HETATM 1596 H19 ACE A 156 8.300 44.832 8.753 1.00 0.19 H HETATM 1597 CB ACE A 156 8.142 41.924 11.236 1.00 0.09 C HETATM 1598 OG1 ACE A 156 9.280 42.613 11.769 1.00 -0.39 O HETATM 1599 H15 ACE A 156 9.027 43.494 12.019 1.00 0.21 H HETATM 1600 CG2 ACE A 156 8.543 40.504 10.873 1.00 -0.03 C HETATM 1601 H16 ACE A 156 8.919 39.989 11.769 1.00 0.03 H HETATM 1602 H17 ACE A 156 9.332 40.530 10.107 1.00 0.03 H HETATM 1603 H18 ACE A 156 7.668 39.965 10.480 1.00 0.03 H HETATM 1604 H14 ACE A 156 7.350 41.889 11.999 1.00 0.06 H HETATM 1605 H13 ACE A 156 6.662 42.205 9.703 1.00 0.08 H HETATM 1606 H12 ACE A 156 9.519 42.645 9.054 1.00 0.19 H HETATM 1607 CB ACE A 156 9.426 40.793 6.120 1.00 0.00 C HETATM 1608 CG ACE A 156 10.108 40.655 4.764 1.00 0.04 C HETATM 1609 CD ACE A 156 10.531 39.228 4.466 1.00 0.17 C HETATM 1610 OE1 ACE A 156 10.334 38.729 3.359 1.00 -0.40 O HETATM 1611 NE2 ACE A 156 11.121 38.564 5.457 1.00 -0.30 N HETATM 1612 H10 ACE A 156 11.421 37.620 5.318 1.00 0.18 H HETATM 1613 H11 ACE A 156 11.264 39.009 6.341 1.00 0.18 H HETATM 1614 H8 ACE A 156 11.001 41.297 4.752 1.00 0.05 H HETATM 1615 H9 ACE A 156 9.408 40.986 3.982 1.00 0.05 H HETATM 1616 H6 ACE A 156 8.467 40.256 6.083 1.00 0.03 H HETATM 1617 H7 ACE A 156 10.073 40.335 6.882 1.00 0.03 H HETATM 1618 H5 ACE A 156 8.730 42.769 5.657 1.00 0.08 H HETATM 1619 H4 ACE A 156 11.228 42.362 7.028 1.00 0.19 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1507 1508 1509 1513 CONECT 1508 1507 CONECT 1509 1507 1510 1511 1512 CONECT 1510 1509 CONECT 1511 1509 CONECT 1512 1509 CONECT 1513 1507 1514 1619 CONECT 1514 1513 1515 1607 1618 CONECT 1515 1514 1516 1517 CONECT 1516 1515 CONECT 1517 1515 1518 1606 CONECT 1518 1517 1519 1597 1605 CONECT 1519 1518 1520 1521 CONECT 1520 1519 CONECT 1521 1519 1522 1596 CONECT 1522 1521 1523 1591 1595 CONECT 1523 1522 1524 1525 CONECT 1524 1523 CONECT 1525 1523 1526 1590 CONECT 1526 1525 1527 1571 1589 CONECT 1527 1526 1528 1529 CONECT 1528 1527 CONECT 1529 1527 1530 1570 CONECT 1530 1529 1531 1555 1569 CONECT 1531 1530 1532 1553 1554 CONECT 1532 1531 1533 1551 1552 CONECT 1533 1532 1534 1549 1550 CONECT 1534 1533 1535 1547 1548 CONECT 1535 1534 1536 1546 CONECT 1536 1535 1537 1538 CONECT 1537 1536 CONECT 1538 1536 1539 1545 CONECT 1539 1538 1540 1544 CONECT 1540 1539 1541 1542 1543 CONECT 1541 1540 CONECT 1542 1540 CONECT 1543 1540 CONECT 1544 1539 CONECT 1545 1538 CONECT 1546 1535 CONECT 1547 1534 CONECT 1548 1534 CONECT 1549 1533 CONECT 1550 1533 CONECT 1551 1532 CONECT 1552 1532 CONECT 1553 1531 CONECT 1554 1531 CONECT 1555 1530 1556 1557 CONECT 1556 1555 CONECT 1557 1555 1558 1568 CONECT 1558 1557 1559 1562 1567 CONECT 1559 1558 1560 1561 CONECT 1560 1559 CONECT 1561 1559 CONECT 1562 1558 1563 1565 1566 CONECT 1563 1562 1564 CONECT 1564 1563 CONECT 1565 1562 CONECT 1566 1562 CONECT 1567 1558 CONECT 1568 1557 CONECT 1569 1530 CONECT 1570 1529 CONECT 1571 1526 1572 1587 1588 CONECT 1572 1571 1573 1585 1586 CONECT 1573 1572 1574 1583 1584 CONECT 1574 1573 1575 1582 CONECT 1575 1574 1576 1579 CONECT 1576 1575 1577 1578 CONECT 1577 1576 CONECT 1578 1576 CONECT 1579 1575 1580 1581 CONECT 1580 1579 CONECT 1581 1579 CONECT 1582 1574 CONECT 1583 1573 CONECT 1584 1573 CONECT 1585 1572 CONECT 1586 1572 CONECT 1587 1571 CONECT 1588 1571 CONECT 1589 1526 CONECT 1590 1525 CONECT 1591 1522 1592 1593 1594 CONECT 1592 1591 CONECT 1593 1591 CONECT 1594 1591 CONECT 1595 1522 CONECT 1596 1521 CONECT 1597 1518 1598 1600 1604 CONECT 1598 1597 1599 CONECT 1599 1598 CONECT 1600 1597 1601 1602 1603 CONECT 1601 1600 CONECT 1602 1600 CONECT 1603 1600 CONECT 1604 1597 CONECT 1605 1518 CONECT 1606 1517 CONECT 1607 1514 1608 1616 1617 CONECT 1608 1607 1609 1614 1615 CONECT 1609 1608 1610 1611 CONECT 1610 1609 CONECT 1611 1609 1612 1613 CONECT 1612 1611 CONECT 1613 1611 CONECT 1614 1608 CONECT 1615 1608 CONECT 1616 1607 CONECT 1617 1607 CONECT 1618 1514 CONECT 1619 1513 MASTER 0 0 0 0 0 0 0 0 1618 1 117 11 END
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Related entries of code: 6min
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
5d7e
RCSB PDB
PDBbind
140aa, >5D7E_1|Chain... at 100%
5iok
RCSB PDB
PDBbind
142aa, >5IOK_1|Chain... *
6miq
RCSB PDB
PDBbind
142aa, >6MIQ_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1fo0
RCSB PDB
PDBbind
8-mer
1fzj
RCSB PDB
PDBbind
8-mer
1fzm
RCSB PDB
PDBbind
8-mer
1g6r
RCSB PDB
PDBbind
8-mer
1g7q
RCSB PDB
PDBbind
8-mer
1leg
RCSB PDB
PDBbind
8-mer
1lek
RCSB PDB
PDBbind
8-mer
1nlp
RCSB PDB
PDBbind
8-mer
1nzl
RCSB PDB
PDBbind
8-mer
1nzv
RCSB PDB
PDBbind
8-mer
1obx
RCSB PDB
PDBbind
8-mer
1okx
RCSB PDB
PDBbind
8-mer
1p2g
RCSB PDB
PDBbind
8-mer
1pig
RCSB PDB
PDBbind
8-mer
1pz5
RCSB PDB
PDBbind
8-mer
1qja
RCSB PDB
PDBbind
8-mer
1qjb
RCSB PDB
PDBbind
8-mer
1qr3
RCSB PDB
PDBbind
8-mer
1sle
RCSB PDB
PDBbind
8-mer
1tps
RCSB PDB
PDBbind
8-mer
2c1n
RCSB PDB
PDBbind
8-mer
2clv
RCSB PDB
PDBbind
8-mer
2er0
RCSB PDB
PDBbind
8-mer
2er9
RCSB PDB
PDBbind
8-mer
2fo4
RCSB PDB
PDBbind
8-mer
2h6k
RCSB PDB
PDBbind
8-mer
2kbs
RCSB PDB
PDBbind
8-mer
2qbw
RCSB PDB
PDBbind
8-mer
2r03
RCSB PDB
PDBbind
8-mer
2r9b
RCSB PDB
PDBbind
8-mer
2rly
RCSB PDB
PDBbind
8-mer
2rt5
RCSB PDB
PDBbind
8-mer
2v88
RCSB PDB
PDBbind
8-mer
2w16
RCSB PDB
PDBbind
8-mer
2w3o
RCSB PDB
PDBbind
8-mer
2ynn
RCSB PDB
PDBbind
8-mer
2zpk
RCSB PDB
PDBbind
8-mer
3agm
RCSB PDB
PDBbind
8-mer
3av9
RCSB PDB
PDBbind
8-mer
3ava
RCSB PDB
PDBbind
8-mer
3avb
RCSB PDB
PDBbind
8-mer
3avf
RCSB PDB
PDBbind
8-mer
3avg
RCSB PDB
PDBbind
8-mer
3avh
RCSB PDB
PDBbind
8-mer
3avi
RCSB PDB
PDBbind
8-mer
3avj
RCSB PDB
PDBbind
8-mer
3avk
RCSB PDB
PDBbind
8-mer
3avl
RCSB PDB
PDBbind
8-mer
3avm
RCSB PDB
PDBbind
8-mer
3avn
RCSB PDB
PDBbind
8-mer
3drf
RCSB PDB
PDBbind
8-mer
3ds9
RCSB PDB
PDBbind
8-mer
3eyu
RCSB PDB
PDBbind
8-mer
3h85
RCSB PDB
PDBbind
8-mer
3i91
RCSB PDB
PDBbind
8-mer
3jvk
RCSB PDB
PDBbind
8-mer
3kze
RCSB PDB
PDBbind
8-mer
3muk
RCSB PDB
PDBbind
8-mer
3n5e
RCSB PDB
PDBbind
8-mer
3nf3
RCSB PDB
PDBbind
8-mer
3omc
RCSB PDB
PDBbind
8-mer
3omg
RCSB PDB
PDBbind
8-mer
3p9l
RCSB PDB
PDBbind
8-mer
3p9m
RCSB PDB
PDBbind
8-mer
3pab
RCSB PDB
PDBbind
8-mer
3qg6
RCSB PDB
PDBbind
8-mer
3rdv
RCSB PDB
PDBbind
8-mer
3rwh
RCSB PDB
PDBbind
8-mer
3rwj
RCSB PDB
PDBbind
8-mer
3unn
RCSB PDB
PDBbind
8-mer
3uqp
RCSB PDB
PDBbind
8-mer
3uri
RCSB PDB
PDBbind
8-mer
3uyr
RCSB PDB
PDBbind
8-mer
3zev
RCSB PDB
PDBbind
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3zvy
RCSB PDB
PDBbind
8-mer
3zyr
RCSB PDB
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8-mer
4aa1
RCSB PDB
PDBbind
8-mer
4aph
RCSB PDB
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8-mer
4apr
RCSB PDB
PDBbind
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4dv9
RCSB PDB
PDBbind
8-mer
4e67
RCSB PDB
PDBbind
8-mer
4eoy
RCSB PDB
PDBbind
8-mer
4ep2
RCSB PDB
PDBbind
8-mer
4eqj
RCSB PDB
PDBbind
8-mer
4ezr
RCSB PDB
PDBbind
8-mer
4fmo
RCSB PDB
PDBbind
8-mer
4fn5
RCSB PDB
PDBbind
8-mer
4gpk
RCSB PDB
PDBbind
8-mer
4gvc
RCSB PDB
PDBbind
8-mer
4gvd
RCSB PDB
PDBbind
8-mer
4gvu
RCSB PDB
PDBbind
8-mer
4h36
RCSB PDB
PDBbind
8-mer
4h75
RCSB PDB
PDBbind
8-mer
4ii9
RCSB PDB
PDBbind
8-mer
4jiz
RCSB PDB
PDBbind
8-mer
4lkl
RCSB PDB
PDBbind
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4lkm
RCSB PDB
PDBbind
8-mer
4mji
RCSB PDB
PDBbind
8-mer
4nxq
RCSB PDB
PDBbind
8-mer
4nxr
RCSB PDB
PDBbind
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4o2f
RCSB PDB
PDBbind
8-mer
4rxh
RCSB PDB
PDBbind
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4y7r
RCSB PDB
PDBbind
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4ysi
RCSB PDB
PDBbind
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5d7e
RCSB PDB
PDBbind
8-mer
5e2q
RCSB PDB
PDBbind
8-mer
5elq
RCSB PDB
PDBbind
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5em9
RCSB PDB
PDBbind
8-mer
5ema
RCSB PDB
PDBbind
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5emb
RCSB PDB
PDBbind
8-mer
5fjx
RCSB PDB
PDBbind
8-mer
5fpi
RCSB PDB
PDBbind
8-mer
5gmv
RCSB PDB
PDBbind
8-mer
5hjb
RCSB PDB
PDBbind
8-mer
5i25
RCSB PDB
PDBbind
8-mer
5iok
RCSB PDB
PDBbind
8-mer
5iql
RCSB PDB
PDBbind
8-mer
5jjm
RCSB PDB
PDBbind
8-mer
5mgx
RCSB PDB
PDBbind
8-mer
5n70
RCSB PDB
PDBbind
8-mer
5svi
RCSB PDB
PDBbind
8-mer
5sxm
RCSB PDB
PDBbind
8-mer
5t6p
RCSB PDB
PDBbind
8-mer
5t78
RCSB PDB
PDBbind
8-mer
5teg
RCSB PDB
PDBbind
8-mer
5tkj
RCSB PDB
PDBbind
8-mer
5tkk
RCSB PDB
PDBbind
8-mer
5vwi
RCSB PDB
PDBbind
8-mer
5vwk
RCSB PDB
PDBbind
8-mer
5wou
RCSB PDB
PDBbind
8-mer
5wtt
RCSB PDB
PDBbind
8-mer
5xjm
RCSB PDB
PDBbind
8-mer
5xn3
RCSB PDB
PDBbind
8-mer
5yba
RCSB PDB
PDBbind
8-mer
6cdm
RCSB PDB
PDBbind
8-mer
6cdo
RCSB PDB
PDBbind
8-mer
6cdp
RCSB PDB
PDBbind
8-mer
6e86
RCSB PDB
PDBbind
8-mer
6eww
RCSB PDB
PDBbind
8-mer
6fau
RCSB PDB
PDBbind
8-mer
6fav
RCSB PDB
PDBbind
8-mer
6faw
RCSB PDB
PDBbind
8-mer
6fbw
RCSB PDB
PDBbind
8-mer
6fby
RCSB PDB
PDBbind
8-mer
6fel
RCSB PDB
PDBbind
8-mer
6fi4
RCSB PDB
PDBbind
8-mer
6fi5
RCSB PDB
PDBbind
8-mer
6fmp
RCSB PDB
PDBbind
8-mer
6fx1
RCSB PDB
PDBbind
8-mer
6hpg
RCSB PDB
PDBbind
8-mer
6miq
RCSB PDB
PDBbind
8-mer
6q3q
RCSB PDB
PDBbind
8-mer
6r0x
RCSB PDB
PDBbind
8-mer
6qk8
RCSB PDB
PDBbind
8-mer
6q4q
RCSB PDB
PDBbind
8-mer
6mtv
RCSB PDB
PDBbind
8-mer
6mtu
RCSB PDB
PDBbind
8-mer
6ms1
RCSB PDB
PDBbind
8-mer
6mqe
RCSB PDB
PDBbind
8-mer
6mqc
RCSB PDB
PDBbind
8-mer
6jax
RCSB PDB
PDBbind
8-mer
6hmt
RCSB PDB
PDBbind
8-mer
6hhp
RCSB PDB
PDBbind
8-mer
6dtn
RCSB PDB
PDBbind
8-mer
6dql
RCSB PDB
PDBbind
8-mer
6do1
RCSB PDB
PDBbind
8-mer
Entry Information
PDB ID
6min
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Taf14 YEATS domain G82A
Ligand Name
8-mer
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=124uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Nat Commun Vol. 9: pp. 4574-4574
Ligand Properties
Formula
C
3
3
H
5
8
N
1
1
O
1
2
Molecular Weight
800.880
Exact Mass
800.427
No. of atoms
114
No. of bonds
113
Polar Surface Area
390.56
LOGP Value
-1.93 (
Computed with XLOGP3
)
-2.51 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 10
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 35
No. of Nitrogen and Oxygen Atoms: 23
No. of Rings: 0
Canonical SMILES
C/C=C/C(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)C)CCC(=O)N)C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C33H57N11O12/c1-5-9-25(49)37-14-7-6-10-20(29(52)43-23(16-45)32(55)56)42-28(51)21(11-8-15-38-33(35)36)41-27(50)17(2)39-31(54)26(18(3)46)44-30(53)22(40-19(4)47)12-13-24(34)48/h5,9,17-18,20-23,26,45-46H,6-8,10-16H2,1-4H3,(H2,34,48)(H,37,49)(H,39,54)(H,40,47)(H,41,50)(H,42,51)(H,43,52)(H,44,53)(H,55,56)(H4,35,36,38)/p+1/b9-5+/t17-,18+,20-,21-,22-,23-,26-/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):
P35189
P68431
Entrez Gene ID
NCBI Entrez Gene ID:
855974
8350
8351
8352
8353
8354
8355
8356
8357
8358
8968
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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