Browse entries in the PDBbind-CN Database
HEADER 1BT6_COMPLEX COMPND 1BT6_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 91 PRO SER GLN MET GLU HIS ALA MET GLU THR MET MET PHE SEQRES 2 A 91 THR PHE HIS LYS PHE ALA GLY ASP LYS GLY TYR LEU THR SEQRES 3 A 91 LYS GLU ASP LEU ARG VAL LEU MET GLU LYS GLU PHE PRO SEQRES 4 A 91 GLY PHE LEU GLU ASN GLN LYS ASP PRO LEU ALA VAL ASP SEQRES 5 A 91 LYS ILE MET LYS ASP LEU ASP GLN CYS ARG ASP GLY LYS SEQRES 6 A 91 VAL GLY PHE GLN SER PHE PHE SER LEU ILE ALA GLY LEU SEQRES 7 A 91 THR ILE ALA CYS ASN ASP TYR PHE VAL VAL HIS MET LYS SEQRES 1 B 91 PRO SER GLN MET GLU HIS ALA MET GLU THR MET MET PHE SEQRES 2 B 91 THR PHE HIS LYS PHE ALA GLY ASP LYS GLY TYR LEU THR SEQRES 3 B 91 LYS GLU ASP LEU ARG VAL LEU MET GLU LYS GLU PHE PRO SEQRES 4 B 91 GLY PHE LEU GLU ASN GLN LYS ASP PRO LEU ALA VAL ASP SEQRES 5 B 91 LYS ILE MET LYS ASP LEU ASP GLN CYS ARG ASP GLY LYS SEQRES 6 B 91 VAL GLY PHE GLN SER PHE PHE SER LEU ILE ALA GLY LEU SEQRES 7 B 91 THR ILE ALA CYS ASN ASP TYR PHE VAL VAL HIS MET LYS HET ACE A 205 182 ATOM 1 N PRO A 1 62.762 30.912 25.705 1.00 35.75 N ATOM 2 CA PRO A 1 61.994 31.230 26.998 1.00 34.42 C ATOM 3 C PRO A 1 62.821 32.156 27.876 1.00 30.97 C ATOM 4 O PRO A 1 63.982 32.454 27.470 1.00 28.54 O ATOM 5 CB PRO A 1 61.677 29.921 27.610 1.00 32.29 C ATOM 6 CG PRO A 1 62.007 28.891 26.546 1.00 33.00 C ATOM 7 CD PRO A 1 63.151 29.476 25.755 1.00 34.85 C ATOM 8 HA PRO A 1 61.063 31.772 26.830 1.00 0.00 H ATOM 9 HD3 PRO A 1 64.103 29.337 26.267 1.00 0.00 H ATOM 10 HD2 PRO A 1 63.210 29.043 24.757 1.00 0.00 H ATOM 11 HG3 PRO A 1 61.145 28.721 25.900 1.00 0.00 H ATOM 12 HG2 PRO A 1 62.305 27.949 27.007 1.00 0.00 H ATOM 13 HB2 PRO A 1 62.284 29.758 28.501 1.00 0.00 H ATOM 14 HB3 PRO A 1 60.621 29.870 27.877 1.00 0.00 H ATOM 15 N SER A 2 62.240 32.667 28.956 1.00 28.54 N ATOM 16 CA SER A 2 63.171 33.546 29.763 1.00 34.26 C ATOM 17 C SER A 2 64.130 32.693 30.604 1.00 32.59 C ATOM 18 O SER A 2 63.847 31.571 31.003 1.00 34.41 O ATOM 19 CB SER A 2 62.349 34.353 30.775 1.00 33.30 C ATOM 20 OG SER A 2 61.781 33.356 31.641 1.00 39.34 O ATOM 21 HA SER A 2 63.717 34.179 29.063 1.00 0.00 H ATOM 22 HB2 SER A 2 61.566 34.921 30.273 1.00 0.00 H ATOM 23 HB3 SER A 2 62.988 35.035 31.336 1.00 0.00 H ATOM 24 HG SER A 2 61.228 33.798 32.333 1.00 0.00 H ATOM 25 H SER A 2 61.251 32.483 29.219 1.00 0.00 H ATOM 26 N GLN A 3 65.232 33.224 31.025 1.00 36.56 N ATOM 27 CA GLN A 3 66.215 32.805 32.009 1.00 34.60 C ATOM 28 C GLN A 3 65.564 32.241 33.289 1.00 33.59 C ATOM 29 O GLN A 3 65.926 31.129 33.702 1.00 33.09 O ATOM 30 CB GLN A 3 67.091 34.004 32.301 1.00 33.13 C ATOM 31 CG GLN A 3 68.355 34.006 31.474 1.00 39.02 C ATOM 32 CD GLN A 3 69.097 35.301 31.674 1.00 46.07 C ATOM 33 OE1 GLN A 3 70.260 35.361 32.082 1.00 54.42 O ATOM 34 NE2 GLN A 3 68.453 36.415 31.361 1.00 52.90 N ATOM 35 HA GLN A 3 66.812 31.984 31.613 1.00 0.00 H ATOM 36 HB2 GLN A 3 66.528 34.911 32.083 1.00 0.00 H ATOM 37 HB3 GLN A 3 67.363 33.991 33.357 1.00 0.00 H ATOM 38 HG2 GLN A 3 68.989 33.175 31.781 1.00 0.00 H ATOM 39 HG3 GLN A 3 68.098 33.895 30.421 1.00 0.00 H ATOM 40 HE22 GLN A 3 67.473 36.370 31.017 1.00 0.00 H ATOM 41 HE21 GLN A 3 68.928 37.335 31.459 1.00 0.00 H ATOM 42 H GLN A 3 65.459 34.130 30.569 1.00 0.00 H ATOM 43 N MET A 4 64.556 32.919 33.827 1.00 31.66 N ATOM 44 CA MET A 4 63.805 32.460 34.953 1.00 34.16 C ATOM 45 C MET A 4 63.097 31.166 34.637 1.00 37.89 C ATOM 46 O MET A 4 63.171 30.153 35.358 1.00 42.34 O ATOM 47 CB MET A 4 62.812 33.514 35.466 1.00 33.34 C ATOM 48 CG MET A 4 63.419 34.547 36.430 1.00 38.42 C ATOM 49 SD MET A 4 64.325 33.852 37.849 1.00 41.17 S ATOM 50 CE MET A 4 63.175 32.667 38.512 1.00 25.18 C ATOM 51 HA MET A 4 64.519 32.279 35.756 1.00 0.00 H ATOM 52 HB2 MET A 4 62.407 34.047 34.606 1.00 0.00 H ATOM 53 HB3 MET A 4 62.005 32.997 35.985 1.00 0.00 H ATOM 54 HG2 MET A 4 62.608 35.163 36.818 1.00 0.00 H ATOM 55 HG3 MET A 4 64.109 35.172 35.863 1.00 0.00 H ATOM 56 HE1 MET A 4 62.259 33.178 38.808 1.00 0.00 H ATOM 57 HE2 MET A 4 62.947 31.920 37.752 1.00 0.00 H ATOM 58 HE3 MET A 4 63.618 32.180 39.381 1.00 0.00 H ATOM 59 H MET A 4 64.299 33.834 33.405 1.00 0.00 H ATOM 60 N GLU A 5 62.341 31.113 33.511 1.00 38.79 N ATOM 61 CA GLU A 5 61.712 29.827 33.135 1.00 35.73 C ATOM 62 C GLU A 5 62.784 28.740 32.944 1.00 29.20 C ATOM 63 O GLU A 5 62.535 27.584 33.254 1.00 27.06 O ATOM 64 CB GLU A 5 60.930 30.000 31.849 1.00 36.85 C ATOM 65 CG GLU A 5 59.509 30.479 31.931 1.00 38.36 C ATOM 66 CD GLU A 5 59.070 31.283 30.685 1.00 39.65 C ATOM 67 OE1 GLU A 5 59.883 31.723 29.833 1.00 35.76 O ATOM 68 OE2 GLU A 5 57.845 31.489 30.593 1.00 41.15 O ATOM 69 HA GLU A 5 61.038 29.519 33.935 1.00 0.00 H ATOM 70 HB2 GLU A 5 61.476 30.716 31.235 1.00 0.00 H ATOM 71 HB3 GLU A 5 60.915 29.031 31.349 1.00 0.00 H ATOM 72 HG2 GLU A 5 58.855 29.613 32.034 1.00 0.00 H ATOM 73 HG3 GLU A 5 59.407 31.116 32.810 1.00 0.00 H ATOM 74 H GLU A 5 62.206 31.960 32.923 1.00 0.00 H ATOM 75 N HIS A 6 63.943 29.094 32.412 1.00 24.72 N ATOM 76 CA HIS A 6 64.978 28.090 32.244 1.00 27.65 C ATOM 77 C HIS A 6 65.474 27.606 33.601 1.00 26.47 C ATOM 78 O HIS A 6 65.320 26.500 33.990 1.00 26.77 O ATOM 79 CB HIS A 6 66.102 28.615 31.386 1.00 35.80 C ATOM 80 CG HIS A 6 65.937 28.374 29.910 1.00 46.72 C ATOM 81 ND1 HIS A 6 65.832 27.121 29.334 1.00 47.09 N ATOM 82 CD2 HIS A 6 65.905 29.299 28.877 1.00 46.92 C ATOM 83 CE1 HIS A 6 65.775 27.296 28.030 1.00 50.83 C ATOM 84 NE2 HIS A 6 65.864 28.584 27.743 1.00 48.65 N ATOM 85 HA HIS A 6 64.553 27.232 31.724 1.00 0.00 H ATOM 86 HB2 HIS A 6 66.178 29.690 31.548 1.00 0.00 H ATOM 87 HB3 HIS A 6 67.026 28.134 31.707 1.00 0.00 H ATOM 88 HD2 HIS A 6 65.912 30.385 28.968 1.00 0.00 H ATOM 89 HE1 HIS A 6 65.670 26.497 27.296 1.00 0.00 H ATOM 90 H HIS A 6 64.110 30.078 32.118 1.00 0.00 H ATOM 91 N ALA A 7 65.598 28.522 34.570 1.00 29.08 N ATOM 92 CA ALA A 7 66.038 28.160 35.926 1.00 28.02 C ATOM 93 C ALA A 7 65.039 27.272 36.573 1.00 25.58 C ATOM 94 O ALA A 7 65.478 26.253 37.203 1.00 27.22 O ATOM 95 CB ALA A 7 66.448 29.433 36.682 1.00 21.52 C ATOM 96 HA ALA A 7 66.941 27.549 35.918 1.00 0.00 H ATOM 97 HB1 ALA A 7 67.264 29.923 36.151 1.00 0.00 H ATOM 98 HB2 ALA A 7 65.595 30.109 36.742 1.00 0.00 H ATOM 99 HB3 ALA A 7 66.775 29.168 37.687 1.00 0.00 H ATOM 100 H ALA A 7 65.377 29.516 34.358 1.00 0.00 H ATOM 101 N MET A 8 63.738 27.555 36.459 1.00 24.15 N ATOM 102 CA MET A 8 62.731 26.705 37.117 1.00 24.75 C ATOM 103 C MET A 8 62.622 25.306 36.565 1.00 30.84 C ATOM 104 O MET A 8 62.353 24.285 37.209 1.00 33.15 O ATOM 105 CB MET A 8 61.368 27.384 36.978 1.00 32.25 C ATOM 106 CG MET A 8 61.336 28.831 37.437 1.00 33.36 C ATOM 107 SD MET A 8 59.786 29.738 37.345 1.00 39.39 S ATOM 108 CE MET A 8 58.481 28.586 37.275 1.00 36.08 C ATOM 109 HA MET A 8 63.052 26.598 38.153 1.00 0.00 H ATOM 110 HB2 MET A 8 61.077 27.353 35.928 1.00 0.00 H ATOM 111 HB3 MET A 8 60.646 26.823 37.570 1.00 0.00 H ATOM 112 HG2 MET A 8 62.062 29.375 36.832 1.00 0.00 H ATOM 113 HG3 MET A 8 61.653 28.843 38.480 1.00 0.00 H ATOM 114 HE1 MET A 8 58.600 27.958 36.392 1.00 0.00 H ATOM 115 HE2 MET A 8 58.498 27.964 38.170 1.00 0.00 H ATOM 116 HE3 MET A 8 57.531 29.118 37.219 1.00 0.00 H ATOM 117 H MET A 8 63.435 28.380 35.903 1.00 0.00 H ATOM 118 N GLU A 9 62.866 25.211 35.212 1.00 31.00 N ATOM 119 CA GLU A 9 62.743 23.931 34.587 1.00 29.66 C ATOM 120 C GLU A 9 63.924 23.097 35.098 1.00 24.68 C ATOM 121 O GLU A 9 63.846 21.885 35.202 1.00 24.57 O ATOM 122 CB GLU A 9 62.933 24.105 33.037 1.00 26.42 C ATOM 123 CG GLU A 9 62.648 22.763 32.323 1.00 33.09 C ATOM 124 CD GLU A 9 62.195 22.978 30.855 1.00 32.67 C ATOM 125 OE1 GLU A 9 61.036 23.422 30.743 1.00 33.55 O ATOM 126 OE2 GLU A 9 63.024 22.728 29.952 1.00 27.08 O ATOM 127 HA GLU A 9 61.777 23.474 34.801 1.00 0.00 H ATOM 128 HB2 GLU A 9 62.243 24.865 32.670 1.00 0.00 H ATOM 129 HB3 GLU A 9 63.957 24.416 32.830 1.00 0.00 H ATOM 130 HG2 GLU A 9 63.556 22.160 32.328 1.00 0.00 H ATOM 131 HG3 GLU A 9 61.861 22.236 32.862 1.00 0.00 H ATOM 132 H GLU A 9 63.133 26.050 34.659 1.00 0.00 H ATOM 133 N THR A 10 65.109 23.745 35.033 1.00 22.73 N ATOM 134 CA THR A 10 66.269 23.029 35.477 1.00 31.34 C ATOM 135 C THR A 10 66.155 22.497 36.915 1.00 32.48 C ATOM 136 O THR A 10 66.347 21.282 37.116 1.00 34.05 O ATOM 137 CB THR A 10 67.635 23.465 35.084 1.00 34.31 C ATOM 138 OG1 THR A 10 68.492 23.469 36.186 1.00 36.69 O ATOM 139 CG2 THR A 10 67.760 24.598 34.123 1.00 31.23 C ATOM 140 HA THR A 10 66.202 22.183 34.793 1.00 0.00 H ATOM 141 HB THR A 10 68.000 22.691 34.409 1.00 0.00 H ATOM 142 HG1 THR A 10 68.545 22.556 36.565 1.00 0.00 H ATOM 143 HG23 THR A 10 67.037 24.470 33.317 1.00 0.00 H ATOM 144 HG21 THR A 10 67.565 25.536 34.642 1.00 0.00 H ATOM 145 HG22 THR A 10 68.769 24.613 33.710 1.00 0.00 H ATOM 146 H THR A 10 65.176 24.720 34.677 1.00 0.00 H ATOM 147 N MET A 11 65.525 23.200 37.847 1.00 32.49 N ATOM 148 CA MET A 11 65.341 22.660 39.177 1.00 36.90 C ATOM 149 C MET A 11 64.349 21.539 39.197 1.00 38.80 C ATOM 150 O MET A 11 64.483 20.647 40.040 1.00 43.40 O ATOM 151 CB MET A 11 64.900 23.736 40.194 1.00 32.88 C ATOM 152 CG MET A 11 66.029 24.821 40.366 1.00 33.23 C ATOM 153 SD MET A 11 65.477 25.868 41.740 1.00 41.48 S ATOM 154 CE MET A 11 66.838 27.008 41.856 1.00 38.33 C ATOM 155 HA MET A 11 66.318 22.278 39.471 1.00 0.00 H ATOM 156 HB2 MET A 11 63.990 24.217 39.837 1.00 0.00 H ATOM 157 HB3 MET A 11 64.706 23.263 41.157 1.00 0.00 H ATOM 158 HG2 MET A 11 66.136 25.410 39.455 1.00 0.00 H ATOM 159 HG3 MET A 11 66.981 24.348 40.604 1.00 0.00 H ATOM 160 HE1 MET A 11 67.755 26.457 42.067 1.00 0.00 H ATOM 161 HE2 MET A 11 66.943 27.544 40.913 1.00 0.00 H ATOM 162 HE3 MET A 11 66.647 27.719 42.660 1.00 0.00 H ATOM 163 H MET A 11 65.160 24.147 37.620 1.00 0.00 H ATOM 164 N MET A 12 63.214 21.736 38.561 1.00 40.90 N ATOM 165 CA MET A 12 62.174 20.702 38.522 1.00 41.29 C ATOM 166 C MET A 12 62.746 19.517 37.768 1.00 40.64 C ATOM 167 O MET A 12 62.605 18.388 38.242 1.00 41.13 O ATOM 168 CB MET A 12 60.887 21.269 37.953 1.00 46.05 C ATOM 169 CG MET A 12 60.149 20.413 36.949 1.00 50.26 C ATOM 170 SD MET A 12 58.484 20.931 36.513 1.00 51.73 S ATOM 171 CE MET A 12 58.732 22.728 36.455 1.00 43.54 C ATOM 172 HA MET A 12 61.895 20.353 39.516 1.00 0.00 H ATOM 173 HB2 MET A 12 60.211 21.455 38.788 1.00 0.00 H ATOM 174 HB3 MET A 12 61.130 22.213 37.466 1.00 0.00 H ATOM 175 HG2 MET A 12 60.085 19.405 37.359 1.00 0.00 H ATOM 176 HG3 MET A 12 60.740 20.395 36.033 1.00 0.00 H ATOM 177 HE1 MET A 12 59.068 23.079 37.431 1.00 0.00 H ATOM 178 HE2 MET A 12 59.485 22.966 35.703 1.00 0.00 H ATOM 179 HE3 MET A 12 57.792 23.215 36.196 1.00 0.00 H ATOM 180 H MET A 12 63.051 22.642 38.077 1.00 0.00 H ATOM 181 N PHE A 13 63.446 19.652 36.646 1.00 39.68 N ATOM 182 CA PHE A 13 63.966 18.416 36.044 1.00 41.04 C ATOM 183 C PHE A 13 65.036 17.792 36.883 1.00 44.09 C ATOM 184 O PHE A 13 65.085 16.562 36.948 1.00 44.33 O ATOM 185 CB PHE A 13 64.364 18.637 34.593 1.00 49.14 C ATOM 186 CG PHE A 13 63.169 18.801 33.653 1.00 54.10 C ATOM 187 CD1 PHE A 13 61.862 18.581 34.052 1.00 49.67 C ATOM 188 CD2 PHE A 13 63.391 19.229 32.347 1.00 57.72 C ATOM 189 CE1 PHE A 13 60.824 18.764 33.188 1.00 52.74 C ATOM 190 CE2 PHE A 13 62.335 19.412 31.466 1.00 56.48 C ATOM 191 CZ PHE A 13 61.043 19.166 31.884 1.00 54.16 C ATOM 192 HA PHE A 13 63.161 17.681 36.023 1.00 0.00 H ATOM 193 HB2 PHE A 13 64.975 19.538 34.536 1.00 0.00 H ATOM 194 HB3 PHE A 13 64.950 17.780 34.261 1.00 0.00 H ATOM 195 HD2 PHE A 13 64.410 19.423 32.012 1.00 0.00 H ATOM 196 HE2 PHE A 13 62.525 19.749 30.447 1.00 0.00 H ATOM 197 HZ PHE A 13 60.207 19.287 31.195 1.00 0.00 H ATOM 198 HE1 PHE A 13 59.804 18.590 33.531 1.00 0.00 H ATOM 199 HD1 PHE A 13 61.660 18.256 35.073 1.00 0.00 H ATOM 200 H PHE A 13 63.617 20.584 36.217 1.00 0.00 H ATOM 201 N THR A 14 65.907 18.578 37.616 1.00 44.30 N ATOM 202 CA THR A 14 66.877 18.063 38.561 1.00 34.30 C ATOM 203 C THR A 14 66.157 17.220 39.597 1.00 33.00 C ATOM 204 O THR A 14 66.604 16.115 39.940 1.00 31.41 O ATOM 205 CB THR A 14 67.765 19.100 39.203 1.00 38.39 C ATOM 206 OG1 THR A 14 68.614 19.735 38.188 1.00 34.12 O ATOM 207 CG2 THR A 14 68.743 18.504 40.256 1.00 28.07 C ATOM 208 HA THR A 14 67.574 17.451 37.988 1.00 0.00 H ATOM 209 HB THR A 14 67.085 19.801 39.687 1.00 0.00 H ATOM 210 HG1 THR A 14 68.043 20.172 37.508 1.00 0.00 H ATOM 211 HG23 THR A 14 68.172 18.014 41.044 1.00 0.00 H ATOM 212 HG21 THR A 14 69.396 17.777 39.773 1.00 0.00 H ATOM 213 HG22 THR A 14 69.344 19.305 40.686 1.00 0.00 H ATOM 214 H THR A 14 65.863 19.608 37.480 1.00 0.00 H ATOM 215 N PHE A 15 65.018 17.603 40.117 1.00 32.08 N ATOM 216 CA PHE A 15 64.364 16.722 41.101 1.00 35.66 C ATOM 217 C PHE A 15 64.081 15.330 40.522 1.00 40.09 C ATOM 218 O PHE A 15 64.422 14.247 41.060 1.00 40.04 O ATOM 219 CB PHE A 15 63.072 17.379 41.587 1.00 31.93 C ATOM 220 CG PHE A 15 62.369 16.523 42.626 1.00 39.24 C ATOM 221 CD1 PHE A 15 62.819 16.534 43.971 1.00 33.03 C ATOM 222 CD2 PHE A 15 61.285 15.738 42.266 1.00 34.34 C ATOM 223 CE1 PHE A 15 62.175 15.709 44.858 1.00 38.87 C ATOM 224 CE2 PHE A 15 60.636 14.924 43.160 1.00 33.30 C ATOM 225 CZ PHE A 15 61.090 14.905 44.482 1.00 36.23 C ATOM 226 HA PHE A 15 65.042 16.583 41.943 1.00 0.00 H ATOM 227 HB2 PHE A 15 63.311 18.347 42.028 1.00 0.00 H ATOM 228 HB3 PHE A 15 62.406 17.523 40.736 1.00 0.00 H ATOM 229 HD2 PHE A 15 60.935 15.768 41.234 1.00 0.00 H ATOM 230 HE2 PHE A 15 59.791 14.310 42.848 1.00 0.00 H ATOM 231 HZ PHE A 15 60.602 14.267 45.218 1.00 0.00 H ATOM 232 HE1 PHE A 15 62.519 15.678 45.892 1.00 0.00 H ATOM 233 HD1 PHE A 15 63.644 17.173 44.287 1.00 0.00 H ATOM 234 H PHE A 15 64.585 18.508 39.842 1.00 0.00 H ATOM 235 N HIS A 16 63.453 15.320 39.351 1.00 40.10 N ATOM 236 CA HIS A 16 62.878 14.176 38.661 1.00 38.87 C ATOM 237 C HIS A 16 63.989 13.239 38.273 1.00 41.42 C ATOM 238 O HIS A 16 63.878 12.014 38.353 1.00 44.20 O ATOM 239 CB HIS A 16 62.014 14.714 37.467 1.00 31.63 C ATOM 240 CG HIS A 16 60.756 15.210 38.092 1.00 27.06 C ATOM 241 ND1 HIS A 16 59.913 14.360 38.758 1.00 33.74 N ATOM 242 CD2 HIS A 16 60.197 16.436 38.240 1.00 30.71 C ATOM 243 CE1 HIS A 16 58.873 15.010 39.275 1.00 28.64 C ATOM 244 NE2 HIS A 16 59.046 16.297 38.965 1.00 27.88 N ATOM 245 HA HIS A 16 62.205 13.592 39.289 1.00 0.00 H ATOM 246 HB2 HIS A 16 62.532 15.524 36.954 1.00 0.00 H ATOM 247 HB3 HIS A 16 61.800 13.914 36.758 1.00 0.00 H ATOM 248 HD2 HIS A 16 60.596 17.372 37.848 1.00 0.00 H ATOM 249 HE1 HIS A 16 58.046 14.578 39.839 1.00 0.00 H ATOM 250 H HIS A 16 63.362 16.238 38.871 1.00 0.00 H ATOM 251 N LYS A 17 65.137 13.791 37.915 1.00 40.54 N ATOM 252 CA LYS A 17 66.289 13.002 37.567 1.00 41.88 C ATOM 253 C LYS A 17 66.830 12.246 38.752 1.00 45.24 C ATOM 254 O LYS A 17 67.433 11.161 38.572 1.00 50.46 O ATOM 255 CB LYS A 17 67.366 13.960 36.995 1.00 42.73 C ATOM 256 CG LYS A 17 68.788 13.495 37.236 1.00 48.21 C ATOM 257 CD LYS A 17 69.852 14.251 36.437 1.00 47.10 C ATOM 258 CE LYS A 17 71.140 13.384 36.526 1.00 49.54 C ATOM 259 NZ LYS A 17 72.273 14.056 35.790 1.00 55.15 N ATOM 260 HA LYS A 17 66.004 12.256 36.825 1.00 0.00 H ATOM 261 HB2 LYS A 17 67.211 14.049 35.920 1.00 0.00 H ATOM 262 HB3 LYS A 17 67.240 14.937 37.461 1.00 0.00 H ATOM 263 HG2 LYS A 17 69.010 13.616 38.296 1.00 0.00 H ATOM 264 HG3 LYS A 17 68.850 12.440 36.971 1.00 0.00 H ATOM 265 HD2 LYS A 17 69.540 14.363 35.399 1.00 0.00 H ATOM 266 HD3 LYS A 17 70.026 15.236 36.871 1.00 0.00 H ATOM 267 HE2 LYS A 17 70.949 12.408 36.080 1.00 0.00 H ATOM 268 HE3 LYS A 17 71.416 13.256 37.573 1.00 0.00 H ATOM 269 HZ1 LYS A 17 72.012 14.177 34.791 1.00 0.00 H ATOM 270 HZ2 LYS A 17 72.458 14.986 36.216 1.00 0.00 H ATOM 271 HZ3 LYS A 17 73.127 13.466 35.858 1.00 0.00 H ATOM 272 H LYS A 17 65.209 14.828 37.884 1.00 0.00 H ATOM 273 N PHE A 18 66.793 12.725 39.997 1.00 44.88 N ATOM 274 CA PHE A 18 67.440 11.853 41.024 1.00 43.18 C ATOM 275 C PHE A 18 66.344 11.042 41.671 1.00 46.66 C ATOM 276 O PHE A 18 66.557 9.948 42.189 1.00 52.83 O ATOM 277 CB PHE A 18 68.296 12.687 41.927 1.00 34.26 C ATOM 278 CG PHE A 18 69.526 13.267 41.315 1.00 32.47 C ATOM 279 CD1 PHE A 18 70.694 12.521 41.203 1.00 34.23 C ATOM 280 CD2 PHE A 18 69.556 14.574 40.855 1.00 28.28 C ATOM 281 CE1 PHE A 18 71.858 13.045 40.638 1.00 33.28 C ATOM 282 CE2 PHE A 18 70.689 15.095 40.295 1.00 29.22 C ATOM 283 CZ PHE A 18 71.861 14.327 40.187 1.00 31.72 C ATOM 284 HA PHE A 18 68.144 11.131 40.611 1.00 0.00 H ATOM 285 HB2 PHE A 18 67.686 13.512 42.295 1.00 0.00 H ATOM 286 HB3 PHE A 18 68.604 12.062 42.765 1.00 0.00 H ATOM 287 HD2 PHE A 18 68.664 15.195 40.941 1.00 0.00 H ATOM 288 HE2 PHE A 18 70.683 16.121 39.927 1.00 0.00 H ATOM 289 HZ PHE A 18 72.762 14.755 39.747 1.00 0.00 H ATOM 290 HE1 PHE A 18 72.756 12.432 40.559 1.00 0.00 H ATOM 291 HD1 PHE A 18 70.701 11.494 41.568 1.00 0.00 H ATOM 292 H PHE A 18 66.348 13.635 40.234 1.00 0.00 H ATOM 293 N ALA A 19 65.095 11.462 41.628 1.00 47.27 N ATOM 294 CA ALA A 19 63.986 10.762 42.197 1.00 48.51 C ATOM 295 C ALA A 19 63.415 9.621 41.369 1.00 51.01 C ATOM 296 O ALA A 19 62.637 8.772 41.883 1.00 50.34 O ATOM 297 CB ALA A 19 62.884 11.807 42.480 1.00 48.38 C ATOM 298 HA ALA A 19 64.357 10.269 43.096 1.00 0.00 H ATOM 299 HB1 ALA A 19 63.264 12.555 43.176 1.00 0.00 H ATOM 300 HB2 ALA A 19 62.595 12.291 41.547 1.00 0.00 H ATOM 301 HB3 ALA A 19 62.017 11.310 42.916 1.00 0.00 H ATOM 302 H ALA A 19 64.903 12.364 41.147 1.00 0.00 H ATOM 303 N GLY A 20 63.684 9.526 40.085 1.00 53.57 N ATOM 304 CA GLY A 20 63.103 8.476 39.230 1.00 55.71 C ATOM 305 C GLY A 20 61.589 8.441 39.210 1.00 56.70 C ATOM 306 O GLY A 20 60.884 9.386 39.610 1.00 57.27 O ATOM 307 HA3 GLY A 20 63.460 7.510 39.588 1.00 0.00 H ATOM 308 HA2 GLY A 20 63.453 8.636 38.210 1.00 0.00 H ATOM 309 H GLY A 20 64.331 10.218 39.657 1.00 0.00 H ATOM 310 N ASP A 21 61.034 7.301 38.780 1.00 57.88 N ATOM 311 CA ASP A 21 59.594 7.111 38.743 1.00 59.75 C ATOM 312 C ASP A 21 58.971 7.179 40.104 1.00 61.94 C ATOM 313 O ASP A 21 57.872 7.747 40.191 1.00 63.55 O ATOM 314 CB ASP A 21 59.204 5.792 38.047 1.00 63.65 C ATOM 315 CG ASP A 21 59.802 5.800 36.640 1.00 70.69 C ATOM 316 OD1 ASP A 21 59.298 6.485 35.703 1.00 68.90 O ATOM 317 OD2 ASP A 21 60.854 5.131 36.519 1.00 75.28 O ATOM 318 HA ASP A 21 59.201 7.940 38.155 1.00 0.00 H ATOM 319 HB2 ASP A 21 59.598 4.946 38.611 1.00 0.00 H ATOM 320 HB3 ASP A 21 58.119 5.713 37.987 1.00 0.00 H ATOM 321 H ASP A 21 61.653 6.528 38.463 1.00 0.00 H ATOM 322 N LYS A 22 59.618 6.680 41.182 1.00 61.44 N ATOM 323 CA LYS A 22 59.036 6.780 42.511 1.00 61.25 C ATOM 324 C LYS A 22 58.544 8.169 42.907 1.00 60.83 C ATOM 325 O LYS A 22 57.636 8.297 43.745 1.00 59.01 O ATOM 326 CB LYS A 22 59.955 6.219 43.585 1.00 62.95 C ATOM 327 CG LYS A 22 61.407 6.003 43.219 1.00 64.61 C ATOM 328 CD LYS A 22 62.196 5.570 44.457 1.00 64.95 C ATOM 329 CE LYS A 22 62.699 6.719 45.315 1.00 60.45 C ATOM 330 NZ LYS A 22 63.869 7.381 44.673 1.00 58.52 N ATOM 331 HA LYS A 22 58.142 6.160 42.443 1.00 0.00 H ATOM 332 HB2 LYS A 22 59.930 6.908 44.429 1.00 0.00 H ATOM 333 HB3 LYS A 22 59.549 5.255 43.892 1.00 0.00 H ATOM 334 HG2 LYS A 22 61.477 5.228 42.456 1.00 0.00 H ATOM 335 HG3 LYS A 22 61.824 6.932 42.830 1.00 0.00 H ATOM 336 HD2 LYS A 22 61.550 4.943 45.071 1.00 0.00 H ATOM 337 HD3 LYS A 22 63.057 4.989 44.127 1.00 0.00 H ATOM 338 HE2 LYS A 22 62.996 6.334 46.291 1.00 0.00 H ATOM 339 HE3 LYS A 22 61.899 7.449 45.441 1.00 0.00 H ATOM 340 HZ1 LYS A 22 64.636 6.688 44.554 1.00 0.00 H ATOM 341 HZ2 LYS A 22 63.588 7.752 43.743 1.00 0.00 H ATOM 342 HZ3 LYS A 22 64.197 8.163 45.275 1.00 0.00 H ATOM 343 H LYS A 22 60.542 6.220 41.059 1.00 0.00 H ATOM 344 N GLY A 23 59.102 9.267 42.380 1.00 60.87 N ATOM 345 CA GLY A 23 58.647 10.609 42.688 1.00 59.12 C ATOM 346 C GLY A 23 59.127 11.245 43.957 1.00 57.27 C ATOM 347 O GLY A 23 58.598 12.293 44.362 1.00 58.25 O ATOM 348 HA3 GLY A 23 57.558 10.579 42.733 1.00 0.00 H ATOM 349 HA2 GLY A 23 58.958 11.253 41.865 1.00 0.00 H ATOM 350 H GLY A 23 59.898 9.152 41.720 1.00 0.00 H ATOM 351 N TYR A 24 60.061 10.607 44.670 1.00 55.19 N ATOM 352 CA TYR A 24 60.548 11.221 45.911 1.00 53.55 C ATOM 353 C TYR A 24 62.037 10.895 46.052 1.00 51.13 C ATOM 354 O TYR A 24 62.548 10.019 45.343 1.00 47.23 O ATOM 355 CB TYR A 24 59.731 10.796 47.109 1.00 56.56 C ATOM 356 CG TYR A 24 59.737 9.299 47.362 1.00 63.47 C ATOM 357 CD1 TYR A 24 60.872 8.700 47.913 1.00 65.14 C ATOM 358 CD2 TYR A 24 58.656 8.478 47.038 1.00 64.56 C ATOM 359 CE1 TYR A 24 60.929 7.348 48.166 1.00 65.91 C ATOM 360 CE2 TYR A 24 58.713 7.111 47.274 1.00 65.73 C ATOM 361 CZ TYR A 24 59.842 6.562 47.838 1.00 66.87 C ATOM 362 OH TYR A 24 59.937 5.215 48.067 1.00 68.48 O ATOM 363 HA TYR A 24 60.429 12.303 45.864 1.00 0.00 H ATOM 364 HB3 TYR A 24 58.700 11.113 46.951 1.00 0.00 H ATOM 365 HB2 TYR A 24 60.132 11.295 47.992 1.00 0.00 H ATOM 366 HD2 TYR A 24 57.760 8.913 46.596 1.00 0.00 H ATOM 367 HE2 TYR A 24 57.867 6.475 47.014 1.00 0.00 H ATOM 368 HE1 TYR A 24 61.817 6.905 48.617 1.00 0.00 H ATOM 369 HD1 TYR A 24 61.737 9.320 48.149 1.00 0.00 H ATOM 370 HH TYR A 24 60.816 5.012 48.475 1.00 0.00 H ATOM 371 H TYR A 24 60.436 9.691 44.351 1.00 0.00 H ATOM 372 N LEU A 25 62.719 11.684 46.891 1.00 47.91 N ATOM 373 CA LEU A 25 64.118 11.330 47.141 1.00 48.59 C ATOM 374 C LEU A 25 64.189 10.619 48.514 1.00 48.01 C ATOM 375 O LEU A 25 63.397 10.732 49.453 1.00 49.24 O ATOM 376 CB LEU A 25 65.163 12.403 47.053 1.00 42.75 C ATOM 377 CG LEU A 25 65.025 13.507 45.991 1.00 45.30 C ATOM 378 CD1 LEU A 25 65.500 14.857 46.505 1.00 40.25 C ATOM 379 CD2 LEU A 25 65.805 13.151 44.730 1.00 43.60 C ATOM 380 HA LEU A 25 64.390 10.693 46.299 1.00 0.00 H ATOM 381 HB2 LEU A 25 65.193 12.898 48.024 1.00 0.00 H ATOM 382 HB3 LEU A 25 66.115 11.905 46.871 1.00 0.00 H ATOM 383 HG LEU A 25 63.963 13.581 45.757 1.00 0.00 H ATOM 384 HD21 LEU A 25 66.860 13.033 44.978 1.00 0.00 H ATOM 385 HD22 LEU A 25 65.421 12.218 44.318 1.00 0.00 H ATOM 386 HD23 LEU A 25 65.690 13.949 43.996 1.00 0.00 H ATOM 387 HD11 LEU A 25 64.906 15.143 47.373 1.00 0.00 H ATOM 388 HD12 LEU A 25 66.550 14.787 46.789 1.00 0.00 H ATOM 389 HD13 LEU A 25 65.383 15.605 45.720 1.00 0.00 H ATOM 390 H LEU A 25 62.277 12.509 47.344 1.00 0.00 H ATOM 391 N THR A 26 65.211 9.807 48.587 1.00 47.61 N ATOM 392 CA THR A 26 65.544 9.081 49.809 1.00 45.57 C ATOM 393 C THR A 26 66.834 9.773 50.238 1.00 46.41 C ATOM 394 O THR A 26 67.420 10.536 49.451 1.00 46.57 O ATOM 395 CB THR A 26 65.895 7.593 49.529 1.00 41.15 C ATOM 396 OG1 THR A 26 66.963 7.597 48.581 1.00 37.98 O ATOM 397 CG2 THR A 26 64.716 6.801 48.985 1.00 35.83 C ATOM 398 HA THR A 26 64.723 9.087 50.526 1.00 0.00 H ATOM 399 HB THR A 26 66.176 7.105 50.463 1.00 0.00 H ATOM 400 HG1 THR A 26 66.666 8.052 47.753 1.00 0.00 H ATOM 401 HG23 THR A 26 63.908 6.805 49.717 1.00 0.00 H ATOM 402 HG21 THR A 26 64.370 7.258 48.058 1.00 0.00 H ATOM 403 HG22 THR A 26 65.028 5.774 48.792 1.00 0.00 H ATOM 404 H THR A 26 65.807 9.674 47.745 1.00 0.00 H ATOM 405 N LYS A 27 67.370 9.334 51.351 1.00 48.71 N ATOM 406 CA LYS A 27 68.639 9.863 51.833 1.00 48.38 C ATOM 407 C LYS A 27 69.741 9.669 50.823 1.00 48.25 C ATOM 408 O LYS A 27 70.607 10.486 50.542 1.00 47.80 O ATOM 409 CB LYS A 27 68.949 9.032 53.100 1.00 54.85 C ATOM 410 CG LYS A 27 69.153 9.840 54.364 1.00 58.48 C ATOM 411 CD LYS A 27 70.628 10.087 54.586 1.00 63.11 C ATOM 412 CE LYS A 27 71.409 8.785 54.668 1.00 70.27 C ATOM 413 NZ LYS A 27 71.139 8.020 55.927 1.00 70.78 N ATOM 414 HA LYS A 27 68.576 10.935 52.022 1.00 0.00 H ATOM 415 HB2 LYS A 27 68.117 8.347 53.267 1.00 0.00 H ATOM 416 HB3 LYS A 27 69.858 8.459 52.915 1.00 0.00 H ATOM 417 HG2 LYS A 27 68.637 10.795 54.270 1.00 0.00 H ATOM 418 HG3 LYS A 27 68.747 9.291 55.213 1.00 0.00 H ATOM 419 HD2 LYS A 27 71.016 10.681 53.758 1.00 0.00 H ATOM 420 HD3 LYS A 27 70.758 10.637 55.518 1.00 0.00 H ATOM 421 HE2 LYS A 27 72.474 9.014 54.622 1.00 0.00 H ATOM 422 HE3 LYS A 27 71.136 8.161 53.817 1.00 0.00 H ATOM 423 HZ1 LYS A 27 71.404 8.601 56.748 1.00 0.00 H ATOM 424 HZ2 LYS A 27 70.127 7.786 55.979 1.00 0.00 H ATOM 425 HZ3 LYS A 27 71.699 7.144 55.925 1.00 0.00 H ATOM 426 H LYS A 27 66.882 8.597 51.898 1.00 0.00 H ATOM 427 N GLU A 28 69.778 8.474 50.235 1.00 49.43 N ATOM 428 CA GLU A 28 70.840 8.133 49.285 1.00 50.97 C ATOM 429 C GLU A 28 70.767 8.978 48.031 1.00 49.19 C ATOM 430 O GLU A 28 71.774 9.496 47.502 1.00 43.96 O ATOM 431 CB GLU A 28 70.790 6.611 49.096 1.00 56.00 C ATOM 432 CG GLU A 28 69.392 6.065 48.997 1.00 65.59 C ATOM 433 CD GLU A 28 68.599 5.677 50.225 1.00 70.41 C ATOM 434 OE1 GLU A 28 68.412 6.475 51.193 1.00 71.98 O ATOM 435 OE2 GLU A 28 68.059 4.522 50.250 1.00 68.31 O ATOM 436 HA GLU A 28 71.833 8.381 49.659 1.00 0.00 H ATOM 437 HB2 GLU A 28 71.325 6.359 48.180 1.00 0.00 H ATOM 438 HB3 GLU A 28 71.285 6.141 49.946 1.00 0.00 H ATOM 439 HG2 GLU A 28 68.803 6.822 48.479 1.00 0.00 H ATOM 440 HG3 GLU A 28 69.456 5.170 48.378 1.00 0.00 H ATOM 441 H GLU A 28 69.042 7.773 50.454 1.00 0.00 H ATOM 442 N ASP A 29 69.493 9.151 47.553 1.00 48.29 N ATOM 443 CA ASP A 29 69.322 10.007 46.384 1.00 47.28 C ATOM 444 C ASP A 29 69.728 11.443 46.756 1.00 45.05 C ATOM 445 O ASP A 29 70.296 12.064 45.866 1.00 43.08 O ATOM 446 CB ASP A 29 67.896 10.010 45.878 1.00 52.77 C ATOM 447 CG ASP A 29 67.374 8.644 45.481 1.00 51.89 C ATOM 448 OD1 ASP A 29 68.185 7.794 45.089 1.00 58.99 O ATOM 449 OD2 ASP A 29 66.168 8.395 45.542 1.00 51.98 O ATOM 450 HA ASP A 29 69.953 9.614 45.587 1.00 0.00 H ATOM 451 HB2 ASP A 29 67.255 10.406 46.665 1.00 0.00 H ATOM 452 HB3 ASP A 29 67.844 10.663 45.006 1.00 0.00 H ATOM 453 H ASP A 29 68.679 8.689 48.007 1.00 0.00 H ATOM 454 N LEU A 30 69.478 11.877 48.004 1.00 42.98 N ATOM 455 CA LEU A 30 69.784 13.229 48.453 1.00 42.98 C ATOM 456 C LEU A 30 71.267 13.516 48.456 1.00 42.34 C ATOM 457 O LEU A 30 71.815 14.518 47.986 1.00 43.63 O ATOM 458 CB LEU A 30 69.183 13.592 49.818 1.00 43.55 C ATOM 459 CG LEU A 30 69.515 15.000 50.336 1.00 48.26 C ATOM 460 CD1 LEU A 30 68.906 16.069 49.410 1.00 46.74 C ATOM 461 CD2 LEU A 30 69.081 15.269 51.787 1.00 40.67 C ATOM 462 HA LEU A 30 69.301 13.866 47.712 1.00 0.00 H ATOM 463 HB2 LEU A 30 68.099 13.510 49.740 1.00 0.00 H ATOM 464 HB3 LEU A 30 69.549 12.871 50.549 1.00 0.00 H ATOM 465 HG LEU A 30 70.603 15.058 50.330 1.00 0.00 H ATOM 466 HD21 LEU A 30 68.001 15.148 51.870 1.00 0.00 H ATOM 467 HD22 LEU A 30 69.579 14.562 52.451 1.00 0.00 H ATOM 468 HD23 LEU A 30 69.356 16.286 52.065 1.00 0.00 H ATOM 469 HD11 LEU A 30 69.314 15.954 48.406 1.00 0.00 H ATOM 470 HD12 LEU A 30 67.823 15.947 49.379 1.00 0.00 H ATOM 471 HD13 LEU A 30 69.151 17.060 49.791 1.00 0.00 H ATOM 472 H LEU A 30 69.046 11.216 48.681 1.00 0.00 H ATOM 473 N ARG A 31 71.993 12.546 48.943 1.00 43.05 N ATOM 474 CA ARG A 31 73.454 12.589 48.989 1.00 44.26 C ATOM 475 C ARG A 31 73.975 12.530 47.553 1.00 40.95 C ATOM 476 O ARG A 31 74.991 13.234 47.319 1.00 43.66 O ATOM 477 CB ARG A 31 74.011 11.452 49.866 1.00 41.69 C ATOM 478 CG ARG A 31 75.490 11.212 49.733 1.00 51.38 C ATOM 479 CD ARG A 31 75.988 9.937 50.410 1.00 59.04 C ATOM 480 NE ARG A 31 75.348 9.638 51.694 1.00 61.73 N ATOM 481 CZ ARG A 31 75.654 10.321 52.804 1.00 66.33 C ATOM 482 NH1 ARG A 31 76.571 11.273 52.748 1.00 66.12 N ATOM 483 NH2 ARG A 31 75.080 10.055 53.976 1.00 67.96 N ATOM 484 HA ARG A 31 73.795 13.516 49.450 1.00 0.00 H ATOM 485 HB2 ARG A 31 73.800 11.694 50.908 1.00 0.00 H ATOM 486 HB3 ARG A 31 73.493 10.532 49.596 1.00 0.00 H ATOM 487 HG2 ARG A 31 75.731 11.151 48.672 1.00 0.00 H ATOM 488 HG3 ARG A 31 76.014 12.059 50.175 1.00 0.00 H ATOM 489 HD2 ARG A 31 77.060 10.038 50.580 1.00 0.00 H ATOM 490 HD3 ARG A 31 75.805 9.100 49.736 1.00 0.00 H ATOM 491 HE ARG A 31 74.640 8.878 51.744 1.00 0.00 H ATOM 492 HH12 ARG A 31 76.816 11.810 53.604 1.00 0.00 H ATOM 493 HH11 ARG A 31 77.047 11.485 51.848 1.00 0.00 H ATOM 494 HH22 ARG A 31 75.341 10.605 54.819 1.00 0.00 H ATOM 495 HH21 ARG A 31 74.371 9.297 54.048 1.00 0.00 H ATOM 496 H ARG A 31 71.510 11.704 49.315 1.00 0.00 H ATOM 497 N VAL A 32 73.417 11.725 46.638 1.00 35.93 N ATOM 498 CA VAL A 32 74.026 11.756 45.308 1.00 38.69 C ATOM 499 C VAL A 32 73.722 13.113 44.651 1.00 37.88 C ATOM 500 O VAL A 32 74.631 13.677 44.072 1.00 38.52 O ATOM 501 CB VAL A 32 73.691 10.712 44.251 1.00 43.27 C ATOM 502 CG1 VAL A 32 74.923 10.615 43.289 1.00 45.26 C ATOM 503 CG2 VAL A 32 73.328 9.379 44.803 1.00 39.07 C ATOM 504 HA VAL A 32 75.061 11.538 45.571 1.00 0.00 H ATOM 505 HB VAL A 32 72.794 11.032 43.721 1.00 0.00 H ATOM 506 HG11 VAL A 32 75.099 11.586 42.827 1.00 0.00 H ATOM 507 HG12 VAL A 32 75.804 10.317 43.858 1.00 0.00 H ATOM 508 HG13 VAL A 32 74.721 9.875 42.515 1.00 0.00 H ATOM 509 HG21 VAL A 32 74.163 8.989 45.385 1.00 0.00 H ATOM 510 HG22 VAL A 32 72.452 9.479 45.444 1.00 0.00 H ATOM 511 HG23 VAL A 32 73.105 8.696 43.983 1.00 0.00 H ATOM 512 H VAL A 32 72.603 11.117 46.859 1.00 0.00 H ATOM 513 N LEU A 33 72.491 13.572 44.843 1.00 37.12 N ATOM 514 CA LEU A 33 72.112 14.888 44.342 1.00 39.46 C ATOM 515 C LEU A 33 73.030 15.938 44.946 1.00 39.81 C ATOM 516 O LEU A 33 73.598 16.780 44.182 1.00 41.93 O ATOM 517 CB LEU A 33 70.635 15.078 44.643 1.00 40.33 C ATOM 518 CG LEU A 33 70.002 16.444 44.730 1.00 39.75 C ATOM 519 CD1 LEU A 33 70.674 17.566 44.033 1.00 34.73 C ATOM 520 CD2 LEU A 33 68.559 16.359 44.203 1.00 42.77 C ATOM 521 HA LEU A 33 72.236 14.987 43.264 1.00 0.00 H ATOM 522 HB2 LEU A 33 70.094 14.541 43.864 1.00 0.00 H ATOM 523 HB3 LEU A 33 70.456 14.598 45.605 1.00 0.00 H ATOM 524 HG LEU A 33 70.081 16.692 45.788 1.00 0.00 H ATOM 525 HD21 LEU A 33 68.571 16.023 43.166 1.00 0.00 H ATOM 526 HD22 LEU A 33 67.993 15.651 44.809 1.00 0.00 H ATOM 527 HD23 LEU A 33 68.093 17.343 44.262 1.00 0.00 H ATOM 528 HD11 LEU A 33 71.679 17.692 44.435 1.00 0.00 H ATOM 529 HD12 LEU A 33 70.733 17.347 42.967 1.00 0.00 H ATOM 530 HD13 LEU A 33 70.103 18.482 44.186 1.00 0.00 H ATOM 531 H LEU A 33 71.795 12.991 45.352 1.00 0.00 H ATOM 532 N MET A 34 73.366 15.926 46.226 1.00 37.52 N ATOM 533 CA MET A 34 74.350 16.944 46.668 1.00 37.90 C ATOM 534 C MET A 34 75.715 16.649 46.148 1.00 35.76 C ATOM 535 O MET A 34 76.471 17.531 45.754 1.00 31.07 O ATOM 536 CB MET A 34 74.308 17.129 48.218 1.00 44.79 C ATOM 537 CG MET A 34 72.883 17.582 48.607 1.00 47.37 C ATOM 538 SD MET A 34 72.643 18.709 49.915 1.00 57.77 S ATOM 539 CE MET A 34 73.871 19.977 49.737 1.00 48.08 C ATOM 540 HA MET A 34 74.067 17.903 46.235 1.00 0.00 H ATOM 541 HB2 MET A 34 74.544 16.185 48.710 1.00 0.00 H ATOM 542 HB3 MET A 34 75.032 17.885 48.520 1.00 0.00 H ATOM 543 HG2 MET A 34 72.327 16.680 48.864 1.00 0.00 H ATOM 544 HG3 MET A 34 72.445 18.036 47.718 1.00 0.00 H ATOM 545 HE1 MET A 34 74.864 19.530 49.790 1.00 0.00 H ATOM 546 HE2 MET A 34 73.744 20.471 48.774 1.00 0.00 H ATOM 547 HE3 MET A 34 73.757 20.707 50.539 1.00 0.00 H ATOM 548 H MET A 34 72.960 15.236 46.890 1.00 0.00 H ATOM 549 N GLU A 35 76.126 15.400 46.028 1.00 36.60 N ATOM 550 CA GLU A 35 77.499 15.160 45.527 1.00 40.48 C ATOM 551 C GLU A 35 77.644 15.736 44.146 1.00 41.22 C ATOM 552 O GLU A 35 78.630 16.365 43.804 1.00 43.18 O ATOM 553 CB GLU A 35 77.743 13.675 45.610 1.00 48.18 C ATOM 554 CG GLU A 35 78.839 12.981 46.310 1.00 55.58 C ATOM 555 CD GLU A 35 78.424 11.755 47.106 1.00 62.58 C ATOM 556 OE1 GLU A 35 77.806 10.817 46.518 1.00 63.16 O ATOM 557 OE2 GLU A 35 78.664 11.733 48.351 1.00 66.07 O ATOM 558 HA GLU A 35 78.260 15.661 46.125 1.00 0.00 H ATOM 559 HB2 GLU A 35 76.832 13.268 46.048 1.00 0.00 H ATOM 560 HB3 GLU A 35 77.824 13.348 44.573 1.00 0.00 H ATOM 561 HG2 GLU A 35 79.571 12.668 45.565 1.00 0.00 H ATOM 562 HG3 GLU A 35 79.302 13.689 46.997 1.00 0.00 H ATOM 563 H GLU A 35 75.503 14.606 46.278 1.00 0.00 H ATOM 564 N LYS A 36 76.718 15.436 43.223 1.00 42.27 N ATOM 565 CA LYS A 36 76.868 15.945 41.857 1.00 42.93 C ATOM 566 C LYS A 36 76.506 17.415 41.732 1.00 40.06 C ATOM 567 O LYS A 36 77.131 18.106 40.984 1.00 40.14 O ATOM 568 CB LYS A 36 76.021 15.096 40.916 1.00 45.13 C ATOM 569 CG LYS A 36 76.482 13.646 40.763 1.00 51.90 C ATOM 570 CD LYS A 36 77.715 13.660 39.862 1.00 61.46 C ATOM 571 CE LYS A 36 78.236 12.257 39.525 1.00 67.63 C ATOM 572 NZ LYS A 36 79.164 12.360 38.312 1.00 67.34 N ATOM 573 HA LYS A 36 77.921 15.871 41.584 1.00 0.00 H ATOM 574 HB2 LYS A 36 74.999 15.088 41.295 1.00 0.00 H ATOM 575 HB3 LYS A 36 76.039 15.562 39.931 1.00 0.00 H ATOM 576 HG2 LYS A 36 76.735 13.229 41.738 1.00 0.00 H ATOM 577 HG3 LYS A 36 75.692 13.048 40.308 1.00 0.00 H ATOM 578 HD2 LYS A 36 77.458 14.167 38.932 1.00 0.00 H ATOM 579 HD3 LYS A 36 78.507 14.211 40.368 1.00 0.00 H ATOM 580 HE2 LYS A 36 77.398 11.600 39.292 1.00 0.00 H ATOM 581 HE3 LYS A 36 78.786 11.855 40.376 1.00 0.00 H ATOM 582 HZ1 LYS A 36 78.635 12.746 37.504 1.00 0.00 H ATOM 583 HZ2 LYS A 36 79.960 12.989 38.539 1.00 0.00 H ATOM 584 HZ3 LYS A 36 79.525 11.415 38.072 1.00 0.00 H ATOM 585 H LYS A 36 75.899 14.846 43.475 1.00 0.00 H ATOM 586 N GLU A 37 75.498 17.939 42.399 1.00 39.11 N ATOM 587 CA GLU A 37 75.153 19.384 42.254 1.00 40.60 C ATOM 588 C GLU A 37 75.824 20.035 43.397 1.00 44.57 C ATOM 589 O GLU A 37 75.861 19.305 44.470 1.00 49.57 O ATOM 590 CB GLU A 37 73.606 19.496 42.294 1.00 36.25 C ATOM 591 CG GLU A 37 72.906 18.780 41.158 1.00 31.45 C ATOM 592 CD GLU A 37 73.140 19.425 39.790 1.00 37.20 C ATOM 593 OE1 GLU A 37 73.474 20.622 39.527 1.00 33.51 O ATOM 594 OE2 GLU A 37 72.967 18.668 38.816 1.00 34.89 O ATOM 595 HA GLU A 37 75.475 19.855 41.325 1.00 0.00 H ATOM 596 HB2 GLU A 37 73.256 19.071 43.235 1.00 0.00 H ATOM 597 HB3 GLU A 37 73.337 20.552 42.251 1.00 0.00 H ATOM 598 HG2 GLU A 37 73.269 17.753 41.122 1.00 0.00 H ATOM 599 HG3 GLU A 37 71.835 18.778 41.360 1.00 0.00 H ATOM 600 H GLU A 37 74.935 17.338 43.035 1.00 0.00 H ATOM 601 N PHE A 38 76.435 21.156 43.568 1.00 48.10 N ATOM 602 CA PHE A 38 77.022 21.481 44.921 1.00 48.90 C ATOM 603 C PHE A 38 78.110 20.568 45.435 1.00 51.63 C ATOM 604 O PHE A 38 78.245 20.245 46.658 1.00 50.04 O ATOM 605 CB PHE A 38 75.989 21.657 46.032 1.00 38.84 C ATOM 606 CG PHE A 38 74.592 22.033 45.723 1.00 40.17 C ATOM 607 CD1 PHE A 38 74.277 23.245 45.080 1.00 40.65 C ATOM 608 CD2 PHE A 38 73.548 21.151 45.961 1.00 37.74 C ATOM 609 CE1 PHE A 38 72.966 23.534 44.771 1.00 38.40 C ATOM 610 CE2 PHE A 38 72.246 21.441 45.648 1.00 36.80 C ATOM 611 CZ PHE A 38 71.944 22.642 45.047 1.00 35.91 C ATOM 612 HA PHE A 38 77.490 22.437 44.688 1.00 0.00 H ATOM 613 HB2 PHE A 38 75.944 20.708 46.566 1.00 0.00 H ATOM 614 HB3 PHE A 38 76.378 22.428 46.697 1.00 0.00 H ATOM 615 HD2 PHE A 38 73.773 20.187 46.416 1.00 0.00 H ATOM 616 HE2 PHE A 38 71.455 20.726 45.873 1.00 0.00 H ATOM 617 HZ PHE A 38 70.913 22.888 44.792 1.00 0.00 H ATOM 618 HE1 PHE A 38 72.728 24.487 44.298 1.00 0.00 H ATOM 619 HD1 PHE A 38 75.067 23.952 44.828 1.00 0.00 H ATOM 620 H PHE A 38 76.523 21.831 42.782 1.00 0.00 H ATOM 621 N PRO A 39 79.084 20.192 44.624 1.00 53.90 N ATOM 622 CA PRO A 39 80.206 19.398 45.179 1.00 57.81 C ATOM 623 C PRO A 39 81.232 20.235 45.934 1.00 57.00 C ATOM 624 O PRO A 39 82.133 19.685 46.623 1.00 57.27 O ATOM 625 CB PRO A 39 80.738 18.722 43.921 1.00 56.84 C ATOM 626 CG PRO A 39 80.612 19.817 42.903 1.00 57.09 C ATOM 627 CD PRO A 39 79.274 20.484 43.215 1.00 55.14 C ATOM 628 HA PRO A 39 79.914 18.691 45.956 1.00 0.00 H ATOM 629 HD3 PRO A 39 79.322 21.559 43.040 1.00 0.00 H ATOM 630 HD2 PRO A 39 78.472 20.055 42.614 1.00 0.00 H ATOM 631 HG3 PRO A 39 80.611 19.406 41.894 1.00 0.00 H ATOM 632 HG2 PRO A 39 81.430 20.531 43.002 1.00 0.00 H ATOM 633 HB2 PRO A 39 81.776 18.414 44.045 1.00 0.00 H ATOM 634 HB3 PRO A 39 80.133 17.857 43.650 1.00 0.00 H ATOM 635 N GLY A 40 81.157 21.558 45.945 1.00 54.01 N ATOM 636 CA GLY A 40 82.155 22.327 46.703 1.00 55.23 C ATOM 637 C GLY A 40 81.637 22.645 48.104 1.00 56.67 C ATOM 638 O GLY A 40 82.313 23.116 49.046 1.00 57.40 O ATOM 639 HA3 GLY A 40 82.364 23.259 46.178 1.00 0.00 H ATOM 640 HA2 GLY A 40 83.072 21.743 46.784 1.00 0.00 H ATOM 641 H GLY A 40 80.401 22.047 45.424 1.00 0.00 H ATOM 642 N PHE A 41 80.341 22.351 48.263 1.00 53.36 N ATOM 643 CA PHE A 41 79.681 22.673 49.511 1.00 49.46 C ATOM 644 C PHE A 41 79.819 21.594 50.561 1.00 49.30 C ATOM 645 O PHE A 41 80.167 21.947 51.709 1.00 47.46 O ATOM 646 CB PHE A 41 78.240 23.014 49.219 1.00 40.74 C ATOM 647 CG PHE A 41 77.367 23.310 50.376 1.00 35.49 C ATOM 648 CD1 PHE A 41 77.489 24.487 51.077 1.00 33.94 C ATOM 649 CD2 PHE A 41 76.418 22.368 50.747 1.00 35.91 C ATOM 650 CE1 PHE A 41 76.637 24.723 52.155 1.00 37.79 C ATOM 651 CE2 PHE A 41 75.577 22.615 51.835 1.00 38.39 C ATOM 652 CZ PHE A 41 75.689 23.786 52.517 1.00 37.04 C ATOM 653 HA PHE A 41 80.178 23.538 49.951 1.00 0.00 H ATOM 654 HB2 PHE A 41 78.235 23.891 48.571 1.00 0.00 H ATOM 655 HB3 PHE A 41 77.804 22.168 48.687 1.00 0.00 H ATOM 656 HD2 PHE A 41 76.329 21.436 50.190 1.00 0.00 H ATOM 657 HE2 PHE A 41 74.836 21.874 52.135 1.00 0.00 H ATOM 658 HZ PHE A 41 75.024 23.987 53.357 1.00 0.00 H ATOM 659 HE1 PHE A 41 76.720 25.654 52.716 1.00 0.00 H ATOM 660 HD1 PHE A 41 78.240 25.224 50.794 1.00 0.00 H ATOM 661 H PHE A 41 79.811 21.894 47.494 1.00 0.00 H ATOM 662 N LEU A 42 79.342 20.414 50.289 1.00 50.78 N ATOM 663 CA LEU A 42 79.371 19.347 51.297 1.00 57.33 C ATOM 664 C LEU A 42 80.763 19.148 51.909 1.00 60.22 C ATOM 665 O LEU A 42 81.063 19.571 52.999 1.00 59.37 O ATOM 666 CB LEU A 42 78.960 18.053 50.608 1.00 54.47 C ATOM 667 CG LEU A 42 77.711 17.380 51.163 1.00 54.94 C ATOM 668 CD1 LEU A 42 76.695 18.402 51.644 1.00 48.95 C ATOM 669 CD2 LEU A 42 77.203 16.512 50.005 1.00 56.74 C ATOM 670 HA LEU A 42 78.695 19.624 52.106 1.00 0.00 H ATOM 671 HB2 LEU A 42 78.782 18.275 49.556 1.00 0.00 H ATOM 672 HB3 LEU A 42 79.787 17.349 50.695 1.00 0.00 H ATOM 673 HG LEU A 42 77.910 16.775 52.048 1.00 0.00 H ATOM 674 HD21 LEU A 42 76.979 17.147 49.148 1.00 0.00 H ATOM 675 HD22 LEU A 42 77.970 15.788 49.732 1.00 0.00 H ATOM 676 HD23 LEU A 42 76.300 15.986 50.316 1.00 0.00 H ATOM 677 HD11 LEU A 42 77.139 19.011 52.432 1.00 0.00 H ATOM 678 HD12 LEU A 42 76.402 19.041 50.811 1.00 0.00 H ATOM 679 HD13 LEU A 42 75.818 17.885 52.033 1.00 0.00 H ATOM 680 H LEU A 42 78.937 20.225 49.350 1.00 0.00 H ATOM 681 N GLU A 43 81.663 18.540 51.160 1.00 63.76 N ATOM 682 CA GLU A 43 83.030 18.273 51.484 1.00 68.59 C ATOM 683 C GLU A 43 83.713 19.431 52.213 1.00 71.21 C ATOM 684 O GLU A 43 84.511 19.164 53.139 1.00 73.02 O ATOM 685 CB GLU A 43 83.801 17.878 50.223 1.00 69.73 C ATOM 686 CG GLU A 43 83.225 16.703 49.459 1.00 75.09 C ATOM 687 CD GLU A 43 82.175 17.029 48.414 1.00 75.54 C ATOM 688 OE1 GLU A 43 81.538 18.102 48.483 1.00 76.07 O ATOM 689 OE2 GLU A 43 81.919 16.208 47.499 1.00 76.28 O ATOM 690 HA GLU A 43 83.037 17.437 52.184 1.00 0.00 H ATOM 691 HB2 GLU A 43 83.820 18.739 49.555 1.00 0.00 H ATOM 692 HB3 GLU A 43 84.820 17.624 50.515 1.00 0.00 H ATOM 693 HG2 GLU A 43 84.049 16.198 48.955 1.00 0.00 H ATOM 694 HG3 GLU A 43 82.773 16.025 50.183 1.00 0.00 H ATOM 695 H GLU A 43 81.341 18.217 50.225 1.00 0.00 H ATOM 696 N ASN A 44 83.394 20.690 51.976 1.00 70.91 N ATOM 697 CA ASN A 44 83.962 21.800 52.711 1.00 70.93 C ATOM 698 C ASN A 44 83.289 22.014 54.041 1.00 71.68 C ATOM 699 O ASN A 44 83.720 22.807 54.896 1.00 73.74 O ATOM 700 CB ASN A 44 84.099 23.028 51.857 1.00 73.70 C ATOM 701 CG ASN A 44 85.309 22.874 50.960 1.00 79.36 C ATOM 702 OD1 ASN A 44 85.150 22.588 49.767 1.00 86.83 O ATOM 703 ND2 ASN A 44 86.509 23.012 51.495 1.00 81.91 N ATOM 704 HA ASN A 44 84.986 21.536 52.975 1.00 0.00 H ATOM 705 HB2 ASN A 44 83.204 23.150 51.246 1.00 0.00 H ATOM 706 HB3 ASN A 44 84.225 23.904 52.494 1.00 0.00 H ATOM 707 HD22 ASN A 44 86.605 23.253 52.502 1.00 0.00 H ATOM 708 HD21 ASN A 44 87.358 22.880 50.909 1.00 0.00 H ATOM 709 H ASN A 44 82.702 20.894 51.226 1.00 0.00 H ATOM 710 N GLN A 45 82.187 21.324 54.279 1.00 70.77 N ATOM 711 CA GLN A 45 81.557 21.332 55.615 1.00 69.99 C ATOM 712 C GLN A 45 82.550 20.369 56.296 1.00 69.43 C ATOM 713 O GLN A 45 83.164 19.597 55.487 1.00 69.92 O ATOM 714 CB GLN A 45 80.182 20.723 55.599 1.00 71.21 C ATOM 715 CG GLN A 45 79.015 21.488 55.089 1.00 74.62 C ATOM 716 CD GLN A 45 78.526 22.628 55.949 1.00 77.71 C ATOM 717 OE1 GLN A 45 79.056 23.740 55.891 1.00 77.82 O ATOM 718 NE2 GLN A 45 77.491 22.390 56.768 1.00 78.83 N ATOM 719 HA GLN A 45 81.409 22.314 56.064 1.00 0.00 H ATOM 720 HB2 GLN A 45 80.250 19.819 54.994 1.00 0.00 H ATOM 721 HB3 GLN A 45 79.950 20.452 56.629 1.00 0.00 H ATOM 722 HG2 GLN A 45 79.288 21.900 54.117 1.00 0.00 H ATOM 723 HG3 GLN A 45 78.189 20.788 54.966 1.00 0.00 H ATOM 724 HE22 GLN A 45 77.060 21.444 56.800 1.00 0.00 H ATOM 725 HE21 GLN A 45 77.119 23.151 57.371 1.00 0.00 H ATOM 726 H GLN A 45 81.757 20.767 53.514 1.00 0.00 H ATOM 727 N LYS A 46 82.877 20.311 57.554 1.00 69.35 N ATOM 728 CA LYS A 46 83.913 19.226 57.783 1.00 71.73 C ATOM 729 C LYS A 46 83.259 17.966 58.290 1.00 71.45 C ATOM 730 O LYS A 46 83.802 16.861 58.407 1.00 73.83 O ATOM 731 CB LYS A 46 85.100 19.807 58.481 1.00 74.97 C ATOM 732 CG LYS A 46 85.975 20.643 57.509 1.00 77.59 C ATOM 733 CD LYS A 46 85.872 22.113 57.857 1.00 80.93 C ATOM 734 CE LYS A 46 86.418 23.023 56.758 1.00 82.82 C ATOM 735 NZ LYS A 46 86.960 24.301 57.357 1.00 83.90 N ATOM 736 HA LYS A 46 84.366 18.850 56.866 1.00 0.00 H ATOM 737 HB2 LYS A 46 84.756 20.450 59.291 1.00 0.00 H ATOM 738 HB3 LYS A 46 85.702 18.997 58.893 1.00 0.00 H ATOM 739 HG2 LYS A 46 87.014 20.324 57.592 1.00 0.00 H ATOM 740 HG3 LYS A 46 85.629 20.488 56.487 1.00 0.00 H ATOM 741 HD2 LYS A 46 84.823 22.359 58.024 1.00 0.00 H ATOM 742 HD3 LYS A 46 86.436 22.295 58.772 1.00 0.00 H ATOM 743 HE2 LYS A 46 85.617 23.264 56.059 1.00 0.00 H ATOM 744 HE3 LYS A 46 87.218 22.507 56.227 1.00 0.00 H ATOM 745 HZ1 LYS A 46 86.198 24.797 57.862 1.00 0.00 H ATOM 746 HZ2 LYS A 46 87.726 24.073 58.022 1.00 0.00 H ATOM 747 HZ3 LYS A 46 87.328 24.910 56.598 1.00 0.00 H ATOM 748 H LYS A 46 82.484 20.922 58.298 1.00 0.00 H ATOM 749 N ASP A 47 81.973 18.068 58.542 1.00 68.53 N ATOM 750 CA ASP A 47 81.043 17.126 59.036 1.00 63.97 C ATOM 751 C ASP A 47 80.606 16.036 58.109 1.00 62.81 C ATOM 752 O ASP A 47 79.693 16.184 57.285 1.00 63.41 O ATOM 753 CB ASP A 47 79.841 18.007 59.439 1.00 61.33 C ATOM 754 CG ASP A 47 78.741 17.233 60.095 1.00 61.01 C ATOM 755 OD1 ASP A 47 78.751 15.993 60.068 1.00 62.57 O ATOM 756 OD2 ASP A 47 77.845 17.900 60.657 1.00 62.66 O ATOM 757 HA ASP A 47 81.509 16.551 59.836 1.00 0.00 H ATOM 758 HB2 ASP A 47 80.189 18.773 60.133 1.00 0.00 H ATOM 759 HB3 ASP A 47 79.444 18.484 58.543 1.00 0.00 H ATOM 760 H ASP A 47 81.570 19.006 58.343 1.00 0.00 H ATOM 761 N PRO A 48 81.008 14.790 58.398 1.00 61.52 N ATOM 762 CA PRO A 48 80.601 13.618 57.643 1.00 57.63 C ATOM 763 C PRO A 48 79.171 13.208 57.898 1.00 52.17 C ATOM 764 O PRO A 48 78.739 12.220 57.301 1.00 53.55 O ATOM 765 CB PRO A 48 81.547 12.504 58.109 1.00 59.66 C ATOM 766 CG PRO A 48 81.884 12.932 59.497 1.00 60.56 C ATOM 767 CD PRO A 48 82.063 14.448 59.381 1.00 61.43 C ATOM 768 HA PRO A 48 80.655 13.824 56.574 1.00 0.00 H ATOM 769 HD3 PRO A 48 81.895 14.944 60.337 1.00 0.00 H ATOM 770 HD2 PRO A 48 83.055 14.706 59.009 1.00 0.00 H ATOM 771 HG3 PRO A 48 82.804 12.457 59.837 1.00 0.00 H ATOM 772 HG2 PRO A 48 81.075 12.688 60.186 1.00 0.00 H ATOM 773 HB2 PRO A 48 81.048 11.535 58.105 1.00 0.00 H ATOM 774 HB3 PRO A 48 82.438 12.455 57.483 1.00 0.00 H ATOM 775 N LEU A 49 78.451 13.862 58.772 1.00 46.84 N ATOM 776 CA LEU A 49 77.067 13.637 59.066 1.00 44.36 C ATOM 777 C LEU A 49 76.152 14.697 58.356 1.00 43.07 C ATOM 778 O LEU A 49 74.910 14.540 58.428 1.00 42.64 O ATOM 779 CB LEU A 49 76.751 13.647 60.550 1.00 43.19 C ATOM 780 CG LEU A 49 77.607 12.776 61.508 1.00 46.67 C ATOM 781 CD1 LEU A 49 77.162 13.028 62.932 1.00 44.46 C ATOM 782 CD2 LEU A 49 77.496 11.298 61.202 1.00 46.03 C ATOM 783 HA LEU A 49 76.859 12.638 58.684 1.00 0.00 H ATOM 784 HB2 LEU A 49 76.842 14.679 60.889 1.00 0.00 H ATOM 785 HB3 LEU A 49 75.717 13.320 60.659 1.00 0.00 H ATOM 786 HG LEU A 49 78.651 13.059 61.370 1.00 0.00 H ATOM 787 HD21 LEU A 49 76.457 10.985 61.301 1.00 0.00 H ATOM 788 HD22 LEU A 49 77.837 11.112 60.184 1.00 0.00 H ATOM 789 HD23 LEU A 49 78.114 10.736 61.902 1.00 0.00 H ATOM 790 HD11 LEU A 49 77.298 14.082 63.173 1.00 0.00 H ATOM 791 HD12 LEU A 49 76.110 12.763 63.035 1.00 0.00 H ATOM 792 HD13 LEU A 49 77.759 12.419 63.611 1.00 0.00 H ATOM 793 H LEU A 49 78.928 14.617 59.304 1.00 0.00 H ATOM 794 N ALA A 50 76.685 15.719 57.699 1.00 38.13 N ATOM 795 CA ALA A 50 75.972 16.808 57.034 1.00 38.31 C ATOM 796 C ALA A 50 74.722 16.423 56.259 1.00 35.61 C ATOM 797 O ALA A 50 73.580 16.796 56.511 1.00 35.48 O ATOM 798 CB ALA A 50 76.983 17.522 56.131 1.00 45.58 C ATOM 799 HA ALA A 50 75.576 17.455 57.817 1.00 0.00 H ATOM 800 HB1 ALA A 50 77.800 17.911 56.739 1.00 0.00 H ATOM 801 HB2 ALA A 50 77.377 16.816 55.400 1.00 0.00 H ATOM 802 HB3 ALA A 50 76.489 18.345 55.614 1.00 0.00 H ATOM 803 H ALA A 50 77.724 15.749 57.652 1.00 0.00 H ATOM 804 N VAL A 51 74.853 15.461 55.366 1.00 33.46 N ATOM 805 CA VAL A 51 73.716 14.929 54.692 1.00 38.87 C ATOM 806 C VAL A 51 72.668 14.497 55.668 1.00 40.14 C ATOM 807 O VAL A 51 71.469 14.873 55.517 1.00 43.00 O ATOM 808 CB VAL A 51 74.089 13.813 53.680 1.00 41.14 C ATOM 809 CG1 VAL A 51 72.840 13.223 53.060 1.00 43.26 C ATOM 810 CG2 VAL A 51 74.967 14.410 52.579 1.00 44.62 C ATOM 811 HA VAL A 51 73.288 15.733 54.092 1.00 0.00 H ATOM 812 HB VAL A 51 74.628 13.023 54.204 1.00 0.00 H ATOM 813 HG11 VAL A 51 72.213 12.797 53.844 1.00 0.00 H ATOM 814 HG12 VAL A 51 72.290 14.006 52.539 1.00 0.00 H ATOM 815 HG13 VAL A 51 73.121 12.442 52.353 1.00 0.00 H ATOM 816 HG21 VAL A 51 74.419 15.201 52.068 1.00 0.00 H ATOM 817 HG22 VAL A 51 75.873 14.822 53.022 1.00 0.00 H ATOM 818 HG23 VAL A 51 75.232 13.630 51.865 1.00 0.00 H ATOM 819 H VAL A 51 75.799 15.086 55.151 1.00 0.00 H ATOM 820 N ASP A 52 72.996 13.680 56.647 1.00 42.90 N ATOM 821 CA ASP A 52 72.037 13.133 57.614 1.00 40.23 C ATOM 822 C ASP A 52 71.260 14.183 58.355 1.00 37.92 C ATOM 823 O ASP A 52 70.054 14.016 58.619 1.00 37.12 O ATOM 824 CB ASP A 52 72.815 12.245 58.640 1.00 48.39 C ATOM 825 CG ASP A 52 73.303 11.020 57.861 1.00 51.09 C ATOM 826 OD1 ASP A 52 74.412 11.136 57.310 1.00 53.34 O ATOM 827 OD2 ASP A 52 72.518 10.049 57.849 1.00 52.31 O ATOM 828 HA ASP A 52 71.308 12.552 57.049 1.00 0.00 H ATOM 829 HB2 ASP A 52 73.662 12.795 59.050 1.00 0.00 H ATOM 830 HB3 ASP A 52 72.155 11.939 59.452 1.00 0.00 H ATOM 831 H ASP A 52 73.995 13.406 56.741 1.00 0.00 H ATOM 832 N LYS A 53 71.933 15.263 58.712 1.00 37.93 N ATOM 833 CA LYS A 53 71.289 16.378 59.398 1.00 42.73 C ATOM 834 C LYS A 53 70.385 17.172 58.416 1.00 42.41 C ATOM 835 O LYS A 53 69.365 17.730 58.808 1.00 38.73 O ATOM 836 CB LYS A 53 72.304 17.325 60.058 1.00 43.97 C ATOM 837 CG LYS A 53 73.570 16.722 60.568 1.00 46.41 C ATOM 838 CD LYS A 53 73.960 17.149 61.960 1.00 47.88 C ATOM 839 CE LYS A 53 75.353 16.709 62.333 1.00 48.43 C ATOM 840 NZ LYS A 53 76.330 17.794 62.543 1.00 48.69 N ATOM 841 HA LYS A 53 70.676 15.950 60.191 1.00 0.00 H ATOM 842 HB2 LYS A 53 72.575 18.081 59.321 1.00 0.00 H ATOM 843 HB3 LYS A 53 71.806 17.804 60.901 1.00 0.00 H ATOM 844 HG2 LYS A 53 73.454 15.638 60.566 1.00 0.00 H ATOM 845 HG3 LYS A 53 74.376 17.001 59.889 1.00 0.00 H ATOM 846 HD2 LYS A 53 73.910 18.236 62.019 1.00 0.00 H ATOM 847 HD3 LYS A 53 73.255 16.715 62.669 1.00 0.00 H ATOM 848 HE2 LYS A 53 75.728 16.070 61.534 1.00 0.00 H ATOM 849 HE3 LYS A 53 75.287 16.133 63.256 1.00 0.00 H ATOM 850 HZ1 LYS A 53 76.423 18.349 61.669 1.00 0.00 H ATOM 851 HZ2 LYS A 53 76.001 18.410 63.314 1.00 0.00 H ATOM 852 HZ3 LYS A 53 77.252 17.384 62.794 1.00 0.00 H ATOM 853 H LYS A 53 72.949 15.320 58.498 1.00 0.00 H ATOM 854 N ILE A 54 70.788 17.241 57.129 1.00 43.42 N ATOM 855 CA ILE A 54 69.904 17.949 56.179 1.00 44.01 C ATOM 856 C ILE A 54 68.634 17.117 56.097 1.00 42.66 C ATOM 857 O ILE A 54 67.526 17.565 56.365 1.00 42.64 O ATOM 858 CB ILE A 54 70.552 18.135 54.788 1.00 43.97 C ATOM 859 CG1 ILE A 54 71.610 19.254 54.843 1.00 36.81 C ATOM 860 CG2 ILE A 54 69.492 18.489 53.739 1.00 39.88 C ATOM 861 CD1 ILE A 54 72.852 18.875 54.082 1.00 35.88 C ATOM 862 HA ILE A 54 69.701 18.962 56.527 1.00 0.00 H ATOM 863 HB ILE A 54 71.028 17.196 54.506 1.00 0.00 H ATOM 864 HG12 ILE A 54 71.190 20.161 54.408 1.00 0.00 H ATOM 865 HG13 ILE A 54 71.875 19.441 55.884 1.00 0.00 H ATOM 866 HD11 ILE A 54 73.281 17.972 54.516 1.00 0.00 H ATOM 867 HD12 ILE A 54 72.596 18.692 53.038 1.00 0.00 H ATOM 868 HD13 ILE A 54 73.576 19.688 54.143 1.00 0.00 H ATOM 869 HG21 ILE A 54 68.757 17.686 53.681 1.00 0.00 H ATOM 870 HG22 ILE A 54 68.996 19.417 54.024 1.00 0.00 H ATOM 871 HG23 ILE A 54 69.971 18.615 52.768 1.00 0.00 H ATOM 872 H ILE A 54 71.684 16.813 56.819 1.00 0.00 H ATOM 873 N MET A 55 68.814 15.827 55.794 1.00 42.19 N ATOM 874 CA MET A 55 67.680 14.906 55.733 1.00 46.69 C ATOM 875 C MET A 55 66.734 14.986 56.914 1.00 49.57 C ATOM 876 O MET A 55 65.512 14.792 56.947 1.00 50.72 O ATOM 877 CB MET A 55 68.246 13.468 55.636 1.00 43.71 C ATOM 878 CG MET A 55 67.123 12.473 55.389 1.00 48.18 C ATOM 879 SD MET A 55 66.464 12.687 53.658 1.00 51.42 S ATOM 880 CE MET A 55 65.016 11.665 53.888 1.00 45.41 C ATOM 881 HA MET A 55 67.087 15.188 54.863 1.00 0.00 H ATOM 882 HB2 MET A 55 68.959 13.417 54.813 1.00 0.00 H ATOM 883 HB3 MET A 55 68.751 13.216 56.569 1.00 0.00 H ATOM 884 HG2 MET A 55 66.321 12.646 56.106 1.00 0.00 H ATOM 885 HG3 MET A 55 67.504 11.459 55.509 1.00 0.00 H ATOM 886 HE1 MET A 55 65.325 10.655 54.157 1.00 0.00 H ATOM 887 HE2 MET A 55 64.401 12.083 54.685 1.00 0.00 H ATOM 888 HE3 MET A 55 64.442 11.636 52.962 1.00 0.00 H ATOM 889 H MET A 55 69.773 15.474 55.599 1.00 0.00 H ATOM 890 N LYS A 56 67.303 15.234 58.097 1.00 51.97 N ATOM 891 CA LYS A 56 66.564 15.338 59.337 1.00 51.72 C ATOM 892 C LYS A 56 65.640 16.535 59.367 1.00 50.87 C ATOM 893 O LYS A 56 64.486 16.430 59.799 1.00 50.66 O ATOM 894 CB LYS A 56 67.629 15.346 60.453 1.00 53.46 C ATOM 895 CG LYS A 56 67.121 14.748 61.732 1.00 49.25 C ATOM 896 CD LYS A 56 66.411 15.810 62.519 1.00 51.64 C ATOM 897 CE LYS A 56 67.381 16.646 63.321 1.00 58.93 C ATOM 898 NZ LYS A 56 66.995 16.575 64.771 1.00 63.78 N ATOM 899 HA LYS A 56 65.881 14.499 59.468 1.00 0.00 H ATOM 900 HB2 LYS A 56 68.493 14.773 60.117 1.00 0.00 H ATOM 901 HB3 LYS A 56 67.930 16.376 60.643 1.00 0.00 H ATOM 902 HG2 LYS A 56 66.430 13.936 61.507 1.00 0.00 H ATOM 903 HG3 LYS A 56 67.958 14.361 62.313 1.00 0.00 H ATOM 904 HD2 LYS A 56 65.869 16.458 61.831 1.00 0.00 H ATOM 905 HD3 LYS A 56 65.705 15.334 63.200 1.00 0.00 H ATOM 906 HE2 LYS A 56 67.342 17.681 62.981 1.00 0.00 H ATOM 907 HE3 LYS A 56 68.392 16.260 63.191 1.00 0.00 H ATOM 908 HZ1 LYS A 56 66.029 16.942 64.890 1.00 0.00 H ATOM 909 HZ2 LYS A 56 67.033 15.586 65.090 1.00 0.00 H ATOM 910 HZ3 LYS A 56 67.657 17.148 65.333 1.00 0.00 H ATOM 911 H LYS A 56 68.335 15.359 58.129 1.00 0.00 H ATOM 912 N ASP A 57 66.064 17.721 58.927 1.00 51.87 N ATOM 913 CA ASP A 57 65.131 18.847 58.950 1.00 53.28 C ATOM 914 C ASP A 57 64.064 18.728 57.847 1.00 50.61 C ATOM 915 O ASP A 57 62.992 19.260 58.022 1.00 50.44 O ATOM 916 CB ASP A 57 65.844 20.186 58.791 1.00 57.72 C ATOM 917 CG ASP A 57 67.003 20.245 59.764 1.00 59.69 C ATOM 918 OD1 ASP A 57 66.731 20.339 60.974 1.00 61.45 O ATOM 919 OD2 ASP A 57 68.132 20.175 59.248 1.00 65.90 O ATOM 920 HA ASP A 57 64.649 18.811 59.927 1.00 0.00 H ATOM 921 HB2 ASP A 57 66.217 20.283 57.771 1.00 0.00 H ATOM 922 HB3 ASP A 57 65.148 20.998 59.001 1.00 0.00 H ATOM 923 H ASP A 57 67.035 17.842 58.576 1.00 0.00 H ATOM 924 N LEU A 58 64.372 18.040 56.770 1.00 50.31 N ATOM 925 CA LEU A 58 63.525 17.832 55.647 1.00 51.91 C ATOM 926 C LEU A 58 62.464 16.764 55.811 1.00 55.78 C ATOM 927 O LEU A 58 61.492 16.763 55.017 1.00 57.60 O ATOM 928 CB LEU A 58 64.353 17.499 54.415 1.00 46.89 C ATOM 929 CG LEU A 58 65.365 18.519 53.924 1.00 43.16 C ATOM 930 CD1 LEU A 58 66.182 17.952 52.765 1.00 36.60 C ATOM 931 CD2 LEU A 58 64.654 19.815 53.591 1.00 44.25 C ATOM 932 HA LEU A 58 62.992 18.776 55.540 1.00 0.00 H ATOM 933 HB2 LEU A 58 64.900 16.582 54.633 1.00 0.00 H ATOM 934 HB3 LEU A 58 63.655 17.318 53.597 1.00 0.00 H ATOM 935 HG LEU A 58 66.086 18.744 54.710 1.00 0.00 H ATOM 936 HD21 LEU A 58 63.914 19.632 52.812 1.00 0.00 H ATOM 937 HD22 LEU A 58 64.157 20.195 54.484 1.00 0.00 H ATOM 938 HD23 LEU A 58 65.381 20.547 53.239 1.00 0.00 H ATOM 939 HD11 LEU A 58 66.712 17.060 53.098 1.00 0.00 H ATOM 940 HD12 LEU A 58 65.514 17.693 51.944 1.00 0.00 H ATOM 941 HD13 LEU A 58 66.901 18.699 52.429 1.00 0.00 H ATOM 942 H LEU A 58 65.318 17.610 56.736 1.00 0.00 H ATOM 943 N ASP A 59 62.660 15.821 56.709 1.00 60.32 N ATOM 944 CA ASP A 59 61.732 14.725 56.958 1.00 62.90 C ATOM 945 C ASP A 59 60.810 15.072 58.115 1.00 65.55 C ATOM 946 O ASP A 59 60.851 14.537 59.203 1.00 67.75 O ATOM 947 CB ASP A 59 62.438 13.425 57.191 1.00 66.46 C ATOM 948 CG ASP A 59 61.806 12.135 56.759 1.00 68.48 C ATOM 949 OD1 ASP A 59 60.603 12.042 56.470 1.00 69.72 O ATOM 950 OD2 ASP A 59 62.538 11.105 56.674 1.00 69.47 O ATOM 951 HA ASP A 59 61.129 14.590 56.060 1.00 0.00 H ATOM 952 HB2 ASP A 59 63.397 13.492 56.677 1.00 0.00 H ATOM 953 HB3 ASP A 59 62.607 13.348 58.265 1.00 0.00 H ATOM 954 H ASP A 59 63.531 15.861 57.276 1.00 0.00 H ATOM 955 N GLN A 60 59.868 15.990 57.862 1.00 68.72 N ATOM 956 CA GLN A 60 58.878 16.377 58.858 1.00 70.46 C ATOM 957 C GLN A 60 58.235 15.114 59.434 1.00 70.21 C ATOM 958 O GLN A 60 58.286 14.801 60.600 1.00 69.75 O ATOM 959 CB GLN A 60 57.810 17.240 58.183 1.00 74.82 C ATOM 960 CG GLN A 60 57.874 18.716 58.569 1.00 79.66 C ATOM 961 CD GLN A 60 58.698 19.524 57.586 1.00 82.93 C ATOM 962 OE1 GLN A 60 59.933 19.505 57.634 1.00 87.78 O ATOM 963 NE2 GLN A 60 58.065 20.229 56.668 1.00 84.52 N ATOM 964 HA GLN A 60 59.349 16.943 59.662 1.00 0.00 H ATOM 965 HB2 GLN A 60 57.936 17.161 57.103 1.00 0.00 H ATOM 966 HB3 GLN A 60 56.829 16.854 58.462 1.00 0.00 H ATOM 967 HG2 GLN A 60 56.861 19.118 58.594 1.00 0.00 H ATOM 968 HG3 GLN A 60 58.322 18.802 59.559 1.00 0.00 H ATOM 969 HE22 GLN A 60 57.025 20.234 56.642 1.00 0.00 H ATOM 970 HE21 GLN A 60 58.606 20.780 55.971 1.00 0.00 H ATOM 971 H GLN A 60 59.843 16.441 56.925 1.00 0.00 H ATOM 972 N CYS A 61 57.690 14.295 58.527 1.00 69.58 N ATOM 973 CA CYS A 61 57.055 13.053 58.908 1.00 68.53 C ATOM 974 C CYS A 61 57.982 11.920 59.180 1.00 68.85 C ATOM 975 O CYS A 61 57.514 10.770 59.340 1.00 70.99 O ATOM 976 CB CYS A 61 56.020 12.708 57.821 1.00 68.41 C ATOM 977 SG CYS A 61 54.906 14.150 57.593 1.00 70.72 S ATOM 978 HA CYS A 61 56.576 13.208 59.875 1.00 0.00 H ATOM 979 HB2 CYS A 61 55.438 11.840 58.130 1.00 0.00 H ATOM 980 HB3 CYS A 61 56.531 12.487 56.884 1.00 0.00 H ATOM 981 HG CYS A 61 53.971 13.858 56.621 1.00 0.00 H ATOM 982 H CYS A 61 57.724 14.559 57.522 1.00 0.00 H ATOM 983 N ARG A 62 59.298 12.058 59.263 1.00 68.40 N ATOM 984 CA ARG A 62 60.102 10.864 59.552 1.00 69.98 C ATOM 985 C ARG A 62 59.724 9.650 58.718 1.00 68.52 C ATOM 986 O ARG A 62 59.902 8.510 59.172 1.00 69.00 O ATOM 987 CB ARG A 62 59.929 10.498 61.034 1.00 72.68 C ATOM 988 CG ARG A 62 60.445 11.567 61.993 1.00 77.99 C ATOM 989 CD ARG A 62 61.755 11.099 62.608 1.00 84.40 C ATOM 990 NE ARG A 62 62.696 10.593 61.601 1.00 88.62 N ATOM 991 CZ ARG A 62 63.732 9.818 61.896 1.00 91.04 C ATOM 992 NH1 ARG A 62 63.958 9.446 63.164 1.00 92.36 N ATOM 993 NH2 ARG A 62 64.538 9.400 60.929 1.00 92.34 N ATOM 994 HA ARG A 62 61.133 11.117 59.303 1.00 0.00 H ATOM 995 HB2 ARG A 62 58.868 10.343 61.229 1.00 0.00 H ATOM 996 HB3 ARG A 62 60.471 9.572 61.226 1.00 0.00 H ATOM 997 HG2 ARG A 62 60.610 12.497 61.448 1.00 0.00 H ATOM 998 HG3 ARG A 62 59.711 11.734 62.782 1.00 0.00 H ATOM 999 HD2 ARG A 62 61.543 10.302 63.321 1.00 0.00 H ATOM 1000 HD3 ARG A 62 62.217 11.938 63.129 1.00 0.00 H ATOM 1001 HE ARG A 62 62.543 10.855 60.606 1.00 0.00 H ATOM 1002 HH12 ARG A 62 64.771 8.839 63.391 1.00 0.00 H ATOM 1003 HH11 ARG A 62 63.320 9.765 63.921 1.00 0.00 H ATOM 1004 HH22 ARG A 62 65.351 8.792 61.156 1.00 0.00 H ATOM 1005 HH21 ARG A 62 64.357 9.680 59.944 1.00 0.00 H ATOM 1006 H ARG A 62 59.748 12.986 59.127 1.00 0.00 H ATOM 1007 N ASP A 63 59.366 9.798 57.441 1.00 65.07 N ATOM 1008 CA ASP A 63 59.081 8.577 56.668 1.00 61.73 C ATOM 1009 C ASP A 63 60.200 8.265 55.700 1.00 58.23 C ATOM 1010 O ASP A 63 60.193 7.384 54.842 1.00 56.75 O ATOM 1011 CB ASP A 63 57.691 8.723 56.085 1.00 63.95 C ATOM 1012 CG ASP A 63 57.494 9.999 55.295 1.00 65.82 C ATOM 1013 OD1 ASP A 63 58.475 10.526 54.722 1.00 67.33 O ATOM 1014 OD2 ASP A 63 56.350 10.486 55.233 1.00 66.59 O ATOM 1015 HA ASP A 63 59.062 7.682 57.290 1.00 0.00 H ATOM 1016 HB2 ASP A 63 57.504 7.876 55.424 1.00 0.00 H ATOM 1017 HB3 ASP A 63 56.971 8.710 56.903 1.00 0.00 H ATOM 1018 H ASP A 63 59.291 10.740 57.008 1.00 0.00 H ATOM 1019 N GLY A 64 61.307 8.993 55.791 1.00 56.03 N ATOM 1020 CA GLY A 64 62.432 8.780 54.940 1.00 55.95 C ATOM 1021 C GLY A 64 62.266 9.213 53.509 1.00 56.61 C ATOM 1022 O GLY A 64 63.034 8.774 52.636 1.00 57.92 O ATOM 1023 HA3 GLY A 64 62.655 7.713 54.942 1.00 0.00 H ATOM 1024 HA2 GLY A 64 63.276 9.328 55.359 1.00 0.00 H ATOM 1025 H GLY A 64 61.355 9.745 56.508 1.00 0.00 H ATOM 1026 N LYS A 65 61.301 10.071 53.198 1.00 55.57 N ATOM 1027 CA LYS A 65 61.151 10.479 51.812 1.00 56.40 C ATOM 1028 C LYS A 65 61.050 12.011 51.696 1.00 53.00 C ATOM 1029 O LYS A 65 60.368 12.663 52.464 1.00 50.90 O ATOM 1030 CB LYS A 65 60.024 9.800 51.071 1.00 58.99 C ATOM 1031 CG LYS A 65 59.359 8.597 51.650 1.00 60.61 C ATOM 1032 CD LYS A 65 57.948 8.415 51.124 1.00 64.01 C ATOM 1033 CE LYS A 65 57.251 7.235 51.779 1.00 65.28 C ATOM 1034 NZ LYS A 65 57.531 5.957 51.077 1.00 65.41 N ATOM 1035 HA LYS A 65 62.060 10.140 51.314 1.00 0.00 H ATOM 1036 HB2 LYS A 65 59.246 10.550 50.928 1.00 0.00 H ATOM 1037 HB3 LYS A 65 60.422 9.502 50.101 1.00 0.00 H ATOM 1038 HG2 LYS A 65 59.946 7.714 51.395 1.00 0.00 H ATOM 1039 HG3 LYS A 65 59.319 8.705 52.734 1.00 0.00 H ATOM 1040 HD2 LYS A 65 57.376 9.320 51.327 1.00 0.00 H ATOM 1041 HD3 LYS A 65 57.991 8.247 50.048 1.00 0.00 H ATOM 1042 HE2 LYS A 65 56.176 7.413 51.769 1.00 0.00 H ATOM 1043 HE3 LYS A 65 57.595 7.152 52.810 1.00 0.00 H ATOM 1044 HZ1 LYS A 65 57.199 6.023 50.094 1.00 0.00 H ATOM 1045 HZ2 LYS A 65 58.555 5.774 51.087 1.00 0.00 H ATOM 1046 HZ3 LYS A 65 57.034 5.181 51.560 1.00 0.00 H ATOM 1047 H LYS A 65 60.665 10.443 53.932 1.00 0.00 H ATOM 1048 N VAL A 66 61.780 12.486 50.693 1.00 49.28 N ATOM 1049 CA VAL A 66 61.791 13.929 50.394 1.00 46.09 C ATOM 1050 C VAL A 66 61.054 14.240 49.085 1.00 41.88 C ATOM 1051 O VAL A 66 61.539 13.941 47.984 1.00 41.96 O ATOM 1052 CB VAL A 66 63.217 14.496 50.340 1.00 42.45 C ATOM 1053 CG1 VAL A 66 63.228 15.922 49.848 1.00 35.28 C ATOM 1054 CG2 VAL A 66 63.778 14.461 51.783 1.00 43.16 C ATOM 1055 HA VAL A 66 61.264 14.416 51.214 1.00 0.00 H ATOM 1056 HB VAL A 66 63.818 13.901 49.652 1.00 0.00 H ATOM 1057 HG11 VAL A 66 62.802 15.962 48.845 1.00 0.00 H ATOM 1058 HG12 VAL A 66 62.635 16.542 50.521 1.00 0.00 H ATOM 1059 HG13 VAL A 66 64.254 16.289 49.823 1.00 0.00 H ATOM 1060 HG21 VAL A 66 63.147 15.069 52.432 1.00 0.00 H ATOM 1061 HG22 VAL A 66 63.787 13.432 52.143 1.00 0.00 H ATOM 1062 HG23 VAL A 66 64.793 14.857 51.786 1.00 0.00 H ATOM 1063 H VAL A 66 62.348 11.835 50.114 1.00 0.00 H ATOM 1064 N GLY A 67 59.903 14.857 49.226 1.00 38.09 N ATOM 1065 CA GLY A 67 59.110 15.267 48.078 1.00 38.41 C ATOM 1066 C GLY A 67 59.638 16.549 47.416 1.00 38.01 C ATOM 1067 O GLY A 67 60.666 17.076 47.789 1.00 38.02 O ATOM 1068 HA3 GLY A 67 58.085 15.441 48.407 1.00 0.00 H ATOM 1069 HA2 GLY A 67 59.122 14.464 47.341 1.00 0.00 H ATOM 1070 H GLY A 67 59.550 15.057 50.183 1.00 0.00 H ATOM 1071 N PHE A 68 58.878 17.114 46.458 1.00 38.79 N ATOM 1072 CA PHE A 68 59.280 18.254 45.661 1.00 36.05 C ATOM 1073 C PHE A 68 59.345 19.531 46.468 1.00 34.39 C ATOM 1074 O PHE A 68 60.304 20.289 46.404 1.00 37.76 O ATOM 1075 CB PHE A 68 58.422 18.386 44.362 1.00 32.01 C ATOM 1076 CG PHE A 68 59.068 19.437 43.491 1.00 28.52 C ATOM 1077 CD1 PHE A 68 60.238 19.160 42.836 1.00 28.43 C ATOM 1078 CD2 PHE A 68 58.510 20.678 43.377 1.00 30.91 C ATOM 1079 CE1 PHE A 68 60.856 20.111 42.072 1.00 30.10 C ATOM 1080 CE2 PHE A 68 59.126 21.668 42.608 1.00 31.02 C ATOM 1081 CZ PHE A 68 60.305 21.368 41.957 1.00 34.72 C ATOM 1082 HA PHE A 68 60.302 18.069 45.331 1.00 0.00 H ATOM 1083 HB2 PHE A 68 58.395 17.432 43.836 1.00 0.00 H ATOM 1084 HB3 PHE A 68 57.406 18.687 44.617 1.00 0.00 H ATOM 1085 HD2 PHE A 68 57.575 20.898 43.891 1.00 0.00 H ATOM 1086 HE2 PHE A 68 58.683 22.660 42.524 1.00 0.00 H ATOM 1087 HZ PHE A 68 60.801 22.126 41.351 1.00 0.00 H ATOM 1088 HE1 PHE A 68 61.785 19.874 41.554 1.00 0.00 H ATOM 1089 HD1 PHE A 68 60.683 18.169 42.925 1.00 0.00 H ATOM 1090 H PHE A 68 57.939 16.704 46.279 1.00 0.00 H ATOM 1091 N GLN A 69 58.409 19.807 47.288 1.00 36.38 N ATOM 1092 CA GLN A 69 58.273 20.935 48.190 1.00 39.85 C ATOM 1093 C GLN A 69 59.344 20.910 49.272 1.00 41.20 C ATOM 1094 O GLN A 69 60.119 21.906 49.269 1.00 46.69 O ATOM 1095 CB GLN A 69 56.849 21.027 48.651 1.00 42.20 C ATOM 1096 CG GLN A 69 56.307 22.228 49.360 1.00 55.72 C ATOM 1097 CD GLN A 69 54.815 22.089 49.662 1.00 63.84 C ATOM 1098 OE1 GLN A 69 54.351 22.440 50.763 1.00 68.17 O ATOM 1099 NE2 GLN A 69 54.032 21.564 48.700 1.00 65.89 N ATOM 1100 HA GLN A 69 58.469 21.878 47.680 1.00 0.00 H ATOM 1101 HB2 GLN A 69 56.234 20.898 47.760 1.00 0.00 H ATOM 1102 HB3 GLN A 69 56.694 20.183 49.323 1.00 0.00 H ATOM 1103 HG2 GLN A 69 56.846 22.356 50.299 1.00 0.00 H ATOM 1104 HG3 GLN A 69 56.459 23.106 48.732 1.00 0.00 H ATOM 1105 HE22 GLN A 69 54.447 21.279 47.790 1.00 0.00 H ATOM 1106 HE21 GLN A 69 53.013 21.443 48.868 1.00 0.00 H ATOM 1107 H GLN A 69 57.627 19.122 47.314 1.00 0.00 H ATOM 1108 N SER A 70 59.692 19.862 49.977 1.00 40.03 N ATOM 1109 CA SER A 70 60.904 19.835 50.833 1.00 37.21 C ATOM 1110 C SER A 70 62.161 20.004 50.019 1.00 34.69 C ATOM 1111 O SER A 70 63.027 20.834 50.344 1.00 36.73 O ATOM 1112 CB SER A 70 61.013 18.503 51.598 1.00 32.49 C ATOM 1113 OG SER A 70 59.697 18.356 52.129 1.00 38.98 O ATOM 1114 HA SER A 70 60.804 20.664 51.533 1.00 0.00 H ATOM 1115 HB2 SER A 70 61.757 18.562 52.393 1.00 0.00 H ATOM 1116 HB3 SER A 70 61.264 17.681 50.928 1.00 0.00 H ATOM 1117 HG SER A 70 59.645 17.517 52.652 1.00 0.00 H ATOM 1118 H SER A 70 59.093 19.013 49.935 1.00 0.00 H ATOM 1119 N PHE A 71 62.301 19.307 48.883 1.00 32.43 N ATOM 1120 CA PHE A 71 63.523 19.615 48.118 1.00 34.26 C ATOM 1121 C PHE A 71 63.614 21.135 47.873 1.00 35.48 C ATOM 1122 O PHE A 71 64.652 21.772 47.883 1.00 34.70 O ATOM 1123 CB PHE A 71 63.423 18.844 46.815 1.00 35.77 C ATOM 1124 CG PHE A 71 64.372 19.298 45.714 1.00 33.02 C ATOM 1125 CD1 PHE A 71 65.686 18.933 45.720 1.00 32.01 C ATOM 1126 CD2 PHE A 71 63.905 20.074 44.676 1.00 33.55 C ATOM 1127 CE1 PHE A 71 66.522 19.371 44.697 1.00 34.76 C ATOM 1128 CE2 PHE A 71 64.685 20.497 43.640 1.00 32.00 C ATOM 1129 CZ PHE A 71 66.010 20.141 43.672 1.00 34.77 C ATOM 1130 HA PHE A 71 64.425 19.325 48.656 1.00 0.00 H ATOM 1131 HB2 PHE A 71 63.631 17.795 47.027 1.00 0.00 H ATOM 1132 HB3 PHE A 71 62.403 18.943 46.443 1.00 0.00 H ATOM 1133 HD2 PHE A 71 62.855 20.366 44.683 1.00 0.00 H ATOM 1134 HE2 PHE A 71 64.274 21.091 42.824 1.00 0.00 H ATOM 1135 HZ PHE A 71 66.672 20.473 42.872 1.00 0.00 H ATOM 1136 HE1 PHE A 71 67.579 19.106 44.705 1.00 0.00 H ATOM 1137 HD1 PHE A 71 66.078 18.304 46.519 1.00 0.00 H ATOM 1138 H PHE A 71 61.603 18.604 48.566 1.00 0.00 H ATOM 1139 N PHE A 72 62.465 21.801 47.596 1.00 35.15 N ATOM 1140 CA PHE A 72 62.428 23.187 47.328 1.00 34.80 C ATOM 1141 C PHE A 72 62.752 24.065 48.510 1.00 34.12 C ATOM 1142 O PHE A 72 63.359 25.153 48.331 1.00 33.91 O ATOM 1143 CB PHE A 72 61.094 23.569 46.604 1.00 35.70 C ATOM 1144 CG PHE A 72 61.418 24.644 45.587 1.00 30.82 C ATOM 1145 CD1 PHE A 72 61.783 24.320 44.311 1.00 33.52 C ATOM 1146 CD2 PHE A 72 61.364 25.965 45.939 1.00 32.44 C ATOM 1147 CE1 PHE A 72 62.061 25.305 43.387 1.00 34.68 C ATOM 1148 CE2 PHE A 72 61.724 26.942 45.035 1.00 32.33 C ATOM 1149 CZ PHE A 72 62.055 26.637 43.763 1.00 29.13 C ATOM 1150 HA PHE A 72 63.249 23.395 46.642 1.00 0.00 H ATOM 1151 HB2 PHE A 72 60.679 22.695 46.102 1.00 0.00 H ATOM 1152 HB3 PHE A 72 60.372 23.947 47.328 1.00 0.00 H ATOM 1153 HD2 PHE A 72 61.035 26.247 46.939 1.00 0.00 H ATOM 1154 HE2 PHE A 72 61.742 27.984 45.355 1.00 0.00 H ATOM 1155 HZ PHE A 72 62.311 27.420 43.049 1.00 0.00 H ATOM 1156 HE1 PHE A 72 62.287 25.033 42.356 1.00 0.00 H ATOM 1157 HD1 PHE A 72 61.855 23.272 44.020 1.00 0.00 H ATOM 1158 H PHE A 72 61.572 21.267 47.580 1.00 0.00 H ATOM 1159 N SER A 73 62.411 23.583 49.695 1.00 33.20 N ATOM 1160 CA SER A 73 62.773 24.341 50.919 1.00 36.08 C ATOM 1161 C SER A 73 64.291 24.231 51.116 1.00 34.03 C ATOM 1162 O SER A 73 65.012 25.190 51.410 1.00 37.01 O ATOM 1163 CB SER A 73 61.958 23.867 52.103 1.00 40.42 C ATOM 1164 OG SER A 73 62.642 22.932 52.885 1.00 50.15 O ATOM 1165 HA SER A 73 62.529 25.398 50.817 1.00 0.00 H ATOM 1166 HB2 SER A 73 61.040 23.410 51.735 1.00 0.00 H ATOM 1167 HB3 SER A 73 61.710 24.728 52.724 1.00 0.00 H ATOM 1168 HG SER A 73 62.865 22.142 52.332 1.00 0.00 H ATOM 1169 H SER A 73 61.895 22.683 49.768 1.00 0.00 H ATOM 1170 N LEU A 74 64.892 23.112 50.737 1.00 28.85 N ATOM 1171 CA LEU A 74 66.294 22.981 50.776 1.00 27.34 C ATOM 1172 C LEU A 74 66.902 23.938 49.816 1.00 27.74 C ATOM 1173 O LEU A 74 67.911 24.560 50.230 1.00 32.29 O ATOM 1174 CB LEU A 74 66.789 21.503 50.624 1.00 24.62 C ATOM 1175 CG LEU A 74 68.299 21.441 50.341 1.00 26.12 C ATOM 1176 CD1 LEU A 74 69.089 21.877 51.577 1.00 29.37 C ATOM 1177 CD2 LEU A 74 68.714 20.106 49.861 1.00 29.01 C ATOM 1178 HA LEU A 74 66.643 23.248 51.773 1.00 0.00 H ATOM 1179 HB2 LEU A 74 66.579 20.962 51.547 1.00 0.00 H ATOM 1180 HB3 LEU A 74 66.254 21.033 49.799 1.00 0.00 H ATOM 1181 HG LEU A 74 68.523 22.140 49.535 1.00 0.00 H ATOM 1182 HD21 LEU A 74 68.477 19.359 50.618 1.00 0.00 H ATOM 1183 HD22 LEU A 74 68.183 19.872 48.939 1.00 0.00 H ATOM 1184 HD23 LEU A 74 69.788 20.106 49.673 1.00 0.00 H ATOM 1185 HD11 LEU A 74 68.817 22.900 51.838 1.00 0.00 H ATOM 1186 HD12 LEU A 74 68.855 21.213 52.409 1.00 0.00 H ATOM 1187 HD13 LEU A 74 70.156 21.828 51.361 1.00 0.00 H ATOM 1188 H LEU A 74 64.316 22.313 50.403 1.00 0.00 H ATOM 1189 N ILE A 75 66.452 24.115 48.569 1.00 29.58 N ATOM 1190 CA ILE A 75 67.092 25.058 47.610 1.00 25.92 C ATOM 1191 C ILE A 75 66.890 26.505 48.019 1.00 26.56 C ATOM 1192 O ILE A 75 67.749 27.353 47.781 1.00 25.78 O ATOM 1193 CB ILE A 75 66.456 24.857 46.190 1.00 30.61 C ATOM 1194 CG1 ILE A 75 66.562 23.448 45.643 1.00 29.83 C ATOM 1195 CG2 ILE A 75 67.010 25.881 45.210 1.00 18.68 C ATOM 1196 CD1 ILE A 75 67.844 22.676 45.814 1.00 33.53 C ATOM 1197 HA ILE A 75 68.161 24.845 47.601 1.00 0.00 H ATOM 1198 HB ILE A 75 65.386 25.021 46.317 1.00 0.00 H ATOM 1199 HG12 ILE A 75 65.775 22.864 46.119 1.00 0.00 H ATOM 1200 HG13 ILE A 75 66.370 23.509 44.572 1.00 0.00 H ATOM 1201 HD11 ILE A 75 68.658 23.214 45.328 1.00 0.00 H ATOM 1202 HD12 ILE A 75 68.062 22.567 46.876 1.00 0.00 H ATOM 1203 HD13 ILE A 75 67.736 21.690 45.361 1.00 0.00 H ATOM 1204 HG21 ILE A 75 66.777 26.885 45.565 1.00 0.00 H ATOM 1205 HG22 ILE A 75 68.091 25.763 45.135 1.00 0.00 H ATOM 1206 HG23 ILE A 75 66.558 25.726 44.230 1.00 0.00 H ATOM 1207 H ILE A 75 65.622 23.572 48.256 1.00 0.00 H ATOM 1208 N ALA A 76 65.751 26.866 48.588 1.00 25.66 N ATOM 1209 CA ALA A 76 65.484 28.219 49.056 1.00 32.16 C ATOM 1210 C ALA A 76 66.514 28.542 50.179 1.00 30.92 C ATOM 1211 O ALA A 76 67.388 29.397 50.052 1.00 32.74 O ATOM 1212 CB ALA A 76 64.064 28.319 49.676 1.00 32.58 C ATOM 1213 HA ALA A 76 65.558 28.910 48.216 1.00 0.00 H ATOM 1214 HB1 ALA A 76 63.321 28.054 48.924 1.00 0.00 H ATOM 1215 HB2 ALA A 76 63.988 27.634 50.520 1.00 0.00 H ATOM 1216 HB3 ALA A 76 63.889 29.339 50.018 1.00 0.00 H ATOM 1217 H ALA A 76 65.009 26.147 48.707 1.00 0.00 H ATOM 1218 N GLY A 77 66.511 27.746 51.193 1.00 32.26 N ATOM 1219 CA GLY A 77 67.570 27.704 52.267 1.00 28.99 C ATOM 1220 C GLY A 77 68.915 27.916 51.685 1.00 25.54 C ATOM 1221 O GLY A 77 69.571 28.864 52.105 1.00 28.04 O ATOM 1222 HA3 GLY A 77 67.542 26.732 52.759 1.00 0.00 H ATOM 1223 HA2 GLY A 77 67.369 28.487 52.999 1.00 0.00 H ATOM 1224 H GLY A 77 65.716 27.081 51.277 1.00 0.00 H ATOM 1225 N LEU A 78 69.461 27.208 50.706 1.00 24.08 N ATOM 1226 CA LEU A 78 70.750 27.623 50.226 1.00 26.70 C ATOM 1227 C LEU A 78 70.715 28.933 49.440 1.00 31.70 C ATOM 1228 O LEU A 78 71.789 29.653 49.448 1.00 36.13 O ATOM 1229 CB LEU A 78 71.307 26.531 49.296 1.00 26.54 C ATOM 1230 CG LEU A 78 71.391 25.123 49.871 1.00 33.34 C ATOM 1231 CD1 LEU A 78 71.816 24.161 48.783 1.00 29.15 C ATOM 1232 CD2 LEU A 78 72.445 25.090 51.037 1.00 33.21 C ATOM 1233 HA LEU A 78 71.375 27.781 51.105 1.00 0.00 H ATOM 1234 HB2 LEU A 78 70.669 26.491 48.414 1.00 0.00 H ATOM 1235 HB3 LEU A 78 72.313 26.829 49.001 1.00 0.00 H ATOM 1236 HG LEU A 78 70.414 24.831 50.258 1.00 0.00 H ATOM 1237 HD21 LEU A 78 73.421 25.383 50.651 1.00 0.00 H ATOM 1238 HD22 LEU A 78 72.140 25.784 51.820 1.00 0.00 H ATOM 1239 HD23 LEU A 78 72.502 24.081 51.445 1.00 0.00 H ATOM 1240 HD11 LEU A 78 71.085 24.182 47.975 1.00 0.00 H ATOM 1241 HD12 LEU A 78 72.792 24.457 48.399 1.00 0.00 H ATOM 1242 HD13 LEU A 78 71.876 23.153 49.194 1.00 0.00 H ATOM 1243 H LEU A 78 68.974 26.383 50.301 1.00 0.00 H ATOM 1244 N THR A 79 69.641 29.240 48.708 1.00 26.37 N ATOM 1245 CA THR A 79 69.700 30.416 47.825 1.00 29.34 C ATOM 1246 C THR A 79 69.691 31.688 48.640 1.00 26.27 C ATOM 1247 O THR A 79 70.458 32.612 48.417 1.00 25.16 O ATOM 1248 CB THR A 79 68.584 30.523 46.705 1.00 26.24 C ATOM 1249 OG1 THR A 79 68.635 29.241 45.948 1.00 26.59 O ATOM 1250 CG2 THR A 79 69.145 31.451 45.655 1.00 17.43 C ATOM 1251 HA THR A 79 70.637 30.278 47.285 1.00 0.00 H ATOM 1252 HB THR A 79 67.621 30.795 47.136 1.00 0.00 H ATOM 1253 HG1 THR A 79 68.452 28.488 46.564 1.00 0.00 H ATOM 1254 HG23 THR A 79 69.181 32.466 46.051 1.00 0.00 H ATOM 1255 HG21 THR A 79 70.151 31.128 45.387 1.00 0.00 H ATOM 1256 HG22 THR A 79 68.507 31.426 44.772 1.00 0.00 H ATOM 1257 H THR A 79 68.780 28.659 48.761 1.00 0.00 H ATOM 1258 N ILE A 80 68.821 31.674 49.618 1.00 28.17 N ATOM 1259 CA ILE A 80 68.702 32.832 50.535 1.00 31.44 C ATOM 1260 C ILE A 80 70.024 32.976 51.296 1.00 36.79 C ATOM 1261 O ILE A 80 70.665 34.058 51.217 1.00 37.58 O ATOM 1262 CB ILE A 80 67.480 32.539 51.402 1.00 31.94 C ATOM 1263 CG1 ILE A 80 66.175 32.558 50.604 1.00 30.48 C ATOM 1264 CG2 ILE A 80 67.428 33.528 52.548 1.00 37.63 C ATOM 1265 CD1 ILE A 80 64.945 32.206 51.386 1.00 28.67 C ATOM 1266 HA ILE A 80 68.546 33.794 50.047 1.00 0.00 H ATOM 1267 HB ILE A 80 67.583 31.527 51.795 1.00 0.00 H ATOM 1268 HG12 ILE A 80 66.042 33.561 50.198 1.00 0.00 H ATOM 1269 HG13 ILE A 80 66.270 31.845 49.785 1.00 0.00 H ATOM 1270 HD11 ILE A 80 65.049 31.199 51.790 1.00 0.00 H ATOM 1271 HD12 ILE A 80 64.820 32.916 52.204 1.00 0.00 H ATOM 1272 HD13 ILE A 80 64.075 32.248 50.731 1.00 0.00 H ATOM 1273 HG21 ILE A 80 68.333 33.434 53.149 1.00 0.00 H ATOM 1274 HG22 ILE A 80 67.358 34.540 52.150 1.00 0.00 H ATOM 1275 HG23 ILE A 80 66.556 33.319 53.167 1.00 0.00 H ATOM 1276 H ILE A 80 68.209 30.844 49.752 1.00 0.00 H ATOM 1277 N ALA A 81 70.731 31.853 51.695 1.00 32.67 N ATOM 1278 CA ALA A 81 71.985 32.083 52.401 1.00 34.57 C ATOM 1279 C ALA A 81 72.967 32.674 51.441 1.00 37.62 C ATOM 1280 O ALA A 81 73.778 33.512 51.824 1.00 40.66 O ATOM 1281 CB ALA A 81 72.642 30.826 53.011 1.00 33.21 C ATOM 1282 HA ALA A 81 71.732 32.739 53.234 1.00 0.00 H ATOM 1283 HB1 ALA A 81 71.960 30.375 53.732 1.00 0.00 H ATOM 1284 HB2 ALA A 81 72.861 30.111 52.218 1.00 0.00 H ATOM 1285 HB3 ALA A 81 73.568 31.108 53.512 1.00 0.00 H ATOM 1286 H ALA A 81 70.383 30.892 51.500 1.00 0.00 H ATOM 1287 N CYS A 82 72.945 32.178 50.193 1.00 37.33 N ATOM 1288 CA CYS A 82 73.905 32.702 49.219 1.00 33.14 C ATOM 1289 C CYS A 82 73.721 34.170 48.958 1.00 30.61 C ATOM 1290 O CYS A 82 74.701 34.865 48.757 1.00 31.90 O ATOM 1291 CB CYS A 82 73.712 31.954 47.864 1.00 29.00 C ATOM 1292 SG CYS A 82 74.652 30.402 47.975 1.00 36.02 S ATOM 1293 HA CYS A 82 74.900 32.548 49.636 1.00 0.00 H ATOM 1294 HB2 CYS A 82 74.090 32.563 47.043 1.00 0.00 H ATOM 1295 HB3 CYS A 82 72.656 31.741 47.701 1.00 0.00 H ATOM 1296 HG CYS A 82 74.167 29.647 49.023 1.00 0.00 H ATOM 1297 H CYS A 82 72.263 31.440 49.925 1.00 0.00 H ATOM 1298 N ASN A 83 72.505 34.635 48.924 1.00 31.90 N ATOM 1299 CA ASN A 83 72.183 36.032 48.694 1.00 34.62 C ATOM 1300 C ASN A 83 72.524 36.901 49.906 1.00 35.07 C ATOM 1301 O ASN A 83 72.798 38.114 49.740 1.00 38.86 O ATOM 1302 CB ASN A 83 70.632 36.151 48.427 1.00 27.56 C ATOM 1303 CG ASN A 83 70.339 37.607 48.152 1.00 29.44 C ATOM 1304 OD1 ASN A 83 69.515 38.175 48.830 1.00 33.51 O ATOM 1305 ND2 ASN A 83 70.990 38.227 47.188 1.00 27.46 N ATOM 1306 HA ASN A 83 72.769 36.379 47.843 1.00 0.00 H ATOM 1307 HB2 ASN A 83 70.353 35.544 47.566 1.00 0.00 H ATOM 1308 HB3 ASN A 83 70.075 35.816 49.302 1.00 0.00 H ATOM 1309 HD22 ASN A 83 71.694 37.712 46.621 1.00 0.00 H ATOM 1310 HD21 ASN A 83 70.800 39.231 46.994 1.00 0.00 H ATOM 1311 H ASN A 83 71.720 33.968 49.070 1.00 0.00 H ATOM 1312 N ASP A 84 72.298 36.423 51.124 1.00 35.41 N ATOM 1313 CA ASP A 84 72.703 37.276 52.334 1.00 34.87 C ATOM 1314 C ASP A 84 74.228 37.411 52.230 1.00 33.07 C ATOM 1315 O ASP A 84 74.748 38.523 52.219 1.00 34.07 O ATOM 1316 CB ASP A 84 72.286 36.622 53.602 1.00 30.98 C ATOM 1317 CG ASP A 84 70.869 36.723 53.979 1.00 32.77 C ATOM 1318 OD1 ASP A 84 70.064 37.643 53.680 1.00 41.35 O ATOM 1319 OD2 ASP A 84 70.396 35.834 54.697 1.00 43.74 O ATOM 1320 HA ASP A 84 72.219 38.253 52.337 1.00 0.00 H ATOM 1321 HB2 ASP A 84 72.528 35.562 53.519 1.00 0.00 H ATOM 1322 HB3 ASP A 84 72.872 37.065 54.407 1.00 0.00 H ATOM 1323 H ASP A 84 71.856 35.491 51.255 1.00 0.00 H ATOM 1324 N TYR A 85 74.973 36.343 51.968 1.00 31.67 N ATOM 1325 CA TYR A 85 76.405 36.561 51.833 1.00 38.82 C ATOM 1326 C TYR A 85 76.783 37.521 50.735 1.00 44.82 C ATOM 1327 O TYR A 85 77.647 38.392 50.798 1.00 49.60 O ATOM 1328 CB TYR A 85 77.080 35.230 51.589 1.00 41.72 C ATOM 1329 CG TYR A 85 78.572 35.300 51.519 1.00 46.81 C ATOM 1330 CD1 TYR A 85 79.270 35.794 50.436 1.00 47.23 C ATOM 1331 CD2 TYR A 85 79.287 34.802 52.637 1.00 49.12 C ATOM 1332 CE1 TYR A 85 80.652 35.823 50.400 1.00 48.08 C ATOM 1333 CE2 TYR A 85 80.675 34.819 52.616 1.00 48.84 C ATOM 1334 CZ TYR A 85 81.322 35.338 51.523 1.00 50.34 C ATOM 1335 OH TYR A 85 82.696 35.328 51.559 1.00 55.97 O ATOM 1336 HA TYR A 85 76.740 37.019 52.763 1.00 0.00 H ATOM 1337 HB3 TYR A 85 76.712 34.828 50.645 1.00 0.00 H ATOM 1338 HB2 TYR A 85 76.807 34.555 52.400 1.00 0.00 H ATOM 1339 HD2 TYR A 85 78.753 34.410 53.503 1.00 0.00 H ATOM 1340 HE2 TYR A 85 81.244 34.425 53.458 1.00 0.00 H ATOM 1341 HE1 TYR A 85 81.192 36.207 49.535 1.00 0.00 H ATOM 1342 HD1 TYR A 85 78.713 36.174 49.580 1.00 0.00 H ATOM 1343 HH TYR A 85 83.050 35.724 50.723 1.00 0.00 H ATOM 1344 H TYR A 85 74.553 35.397 51.864 1.00 0.00 H ATOM 1345 N PHE A 86 76.202 37.370 49.549 1.00 47.82 N ATOM 1346 CA PHE A 86 76.491 38.199 48.397 1.00 44.40 C ATOM 1347 C PHE A 86 76.136 39.632 48.683 1.00 41.29 C ATOM 1348 O PHE A 86 76.944 40.468 48.319 1.00 42.38 O ATOM 1349 CB PHE A 86 75.716 37.668 47.138 1.00 41.78 C ATOM 1350 CG PHE A 86 75.503 38.629 46.017 1.00 36.00 C ATOM 1351 CD1 PHE A 86 76.434 38.760 45.019 1.00 40.56 C ATOM 1352 CD2 PHE A 86 74.355 39.409 45.971 1.00 38.58 C ATOM 1353 CE1 PHE A 86 76.265 39.653 43.955 1.00 43.14 C ATOM 1354 CE2 PHE A 86 74.179 40.312 44.919 1.00 45.23 C ATOM 1355 CZ PHE A 86 75.135 40.437 43.908 1.00 42.36 C ATOM 1356 HA PHE A 86 77.559 38.150 48.185 1.00 0.00 H ATOM 1357 HB2 PHE A 86 76.274 36.819 46.742 1.00 0.00 H ATOM 1358 HB3 PHE A 86 74.735 37.331 47.474 1.00 0.00 H ATOM 1359 HD2 PHE A 86 73.597 39.318 46.749 1.00 0.00 H ATOM 1360 HE2 PHE A 86 73.281 40.929 44.887 1.00 0.00 H ATOM 1361 HZ PHE A 86 74.988 41.146 43.093 1.00 0.00 H ATOM 1362 HE1 PHE A 86 77.020 39.727 43.172 1.00 0.00 H ATOM 1363 HD1 PHE A 86 77.335 38.148 45.056 1.00 0.00 H ATOM 1364 H PHE A 86 75.498 36.612 49.442 1.00 0.00 H ATOM 1365 N VAL A 87 74.978 39.918 49.258 1.00 41.46 N ATOM 1366 CA VAL A 87 74.683 41.376 49.480 1.00 44.30 C ATOM 1367 C VAL A 87 75.727 42.082 50.345 1.00 47.26 C ATOM 1368 O VAL A 87 76.190 43.178 50.064 1.00 48.11 O ATOM 1369 CB VAL A 87 73.304 41.483 50.146 1.00 43.83 C ATOM 1370 CG1 VAL A 87 73.136 42.814 50.834 1.00 42.90 C ATOM 1371 CG2 VAL A 87 72.179 41.240 49.151 1.00 42.07 C ATOM 1372 HA VAL A 87 74.705 41.874 48.511 1.00 0.00 H ATOM 1373 HB VAL A 87 73.247 40.700 50.902 1.00 0.00 H ATOM 1374 HG11 VAL A 87 73.904 42.925 51.600 1.00 0.00 H ATOM 1375 HG12 VAL A 87 73.233 43.615 50.101 1.00 0.00 H ATOM 1376 HG13 VAL A 87 72.150 42.861 51.296 1.00 0.00 H ATOM 1377 HG21 VAL A 87 72.234 41.981 48.354 1.00 0.00 H ATOM 1378 HG22 VAL A 87 72.280 40.241 48.727 1.00 0.00 H ATOM 1379 HG23 VAL A 87 71.220 41.325 49.661 1.00 0.00 H ATOM 1380 H VAL A 87 74.308 39.174 49.541 1.00 0.00 H ATOM 1381 N VAL A 88 76.174 41.474 51.428 1.00 48.44 N ATOM 1382 CA VAL A 88 77.119 41.916 52.374 1.00 53.80 C ATOM 1383 C VAL A 88 78.557 42.011 51.900 1.00 54.73 C ATOM 1384 O VAL A 88 79.192 43.003 52.240 1.00 57.04 O ATOM 1385 CB VAL A 88 77.118 40.978 53.644 1.00 55.74 C ATOM 1386 CG1 VAL A 88 78.271 41.263 54.570 1.00 53.49 C ATOM 1387 CG2 VAL A 88 75.802 41.122 54.388 1.00 56.13 C ATOM 1388 HA VAL A 88 76.787 42.932 52.590 1.00 0.00 H ATOM 1389 HB VAL A 88 77.235 39.953 53.293 1.00 0.00 H ATOM 1390 HG11 VAL A 88 79.210 41.109 54.038 1.00 0.00 H ATOM 1391 HG12 VAL A 88 78.213 42.296 54.914 1.00 0.00 H ATOM 1392 HG13 VAL A 88 78.222 40.590 55.426 1.00 0.00 H ATOM 1393 HG21 VAL A 88 75.676 42.158 54.704 1.00 0.00 H ATOM 1394 HG22 VAL A 88 74.981 40.839 53.729 1.00 0.00 H ATOM 1395 HG23 VAL A 88 75.808 40.472 55.263 1.00 0.00 H ATOM 1396 H VAL A 88 75.770 40.533 51.609 1.00 0.00 H ATOM 1397 N HIS A 89 79.101 41.032 51.226 1.00 56.49 N ATOM 1398 CA HIS A 89 80.455 40.943 50.771 1.00 56.90 C ATOM 1399 C HIS A 89 80.753 41.103 49.292 1.00 58.82 C ATOM 1400 O HIS A 89 81.832 41.610 48.941 1.00 57.77 O ATOM 1401 CB HIS A 89 81.033 39.556 51.107 1.00 54.71 C ATOM 1402 CG HIS A 89 80.970 39.252 52.565 1.00 59.65 C ATOM 1403 ND1 HIS A 89 80.016 38.411 53.122 1.00 58.88 N ATOM 1404 CD2 HIS A 89 81.772 39.664 53.583 1.00 59.61 C ATOM 1405 CE1 HIS A 89 80.246 38.311 54.421 1.00 61.10 C ATOM 1406 NE2 HIS A 89 81.294 39.065 54.728 1.00 60.02 N ATOM 1407 HA HIS A 89 80.892 41.800 51.284 1.00 0.00 H ATOM 1408 HB2 HIS A 89 80.464 38.799 50.566 1.00 0.00 H ATOM 1409 HB3 HIS A 89 82.074 39.524 50.787 1.00 0.00 H ATOM 1410 HD2 HIS A 89 82.626 40.337 53.508 1.00 0.00 H ATOM 1411 HE1 HIS A 89 79.670 37.709 55.123 1.00 0.00 H ATOM 1412 H HIS A 89 78.482 40.229 50.995 1.00 0.00 H ATOM 1413 N MET A 90 79.864 40.624 48.413 1.00 60.56 N ATOM 1414 CA MET A 90 80.178 40.706 46.998 1.00 61.59 C ATOM 1415 C MET A 90 79.592 41.822 46.186 1.00 63.66 C ATOM 1416 O MET A 90 80.389 42.237 45.323 1.00 64.16 O ATOM 1417 CB MET A 90 79.989 39.344 46.346 1.00 54.75 C ATOM 1418 CG MET A 90 81.069 38.386 46.762 1.00 54.77 C ATOM 1419 SD MET A 90 80.725 36.696 46.254 1.00 59.13 S ATOM 1420 CE MET A 90 81.813 36.574 44.828 1.00 61.07 C ATOM 1421 HA MET A 90 81.227 41.003 46.991 1.00 0.00 H ATOM 1422 HB2 MET A 90 79.021 38.939 46.642 1.00 0.00 H ATOM 1423 HB3 MET A 90 80.016 39.462 45.263 1.00 0.00 H ATOM 1424 HG2 MET A 90 81.161 38.413 47.848 1.00 0.00 H ATOM 1425 HG3 MET A 90 82.010 38.702 46.311 1.00 0.00 H ATOM 1426 HE1 MET A 90 81.530 37.326 44.091 1.00 0.00 H ATOM 1427 HE2 MET A 90 82.843 36.742 45.143 1.00 0.00 H ATOM 1428 HE3 MET A 90 81.724 35.581 44.388 1.00 0.00 H ATOM 1429 H MET A 90 78.970 40.203 48.736 1.00 0.00 H ATOM 1430 N LYS A 91 78.404 42.371 46.305 1.00 65.91 N ATOM 1431 CA LYS A 91 77.974 43.433 45.400 1.00 70.30 C ATOM 1432 C LYS A 91 78.917 44.631 45.338 1.00 73.62 C ATOM 1433 O LYS A 91 78.338 45.785 45.315 1.00 76.78 O ATOM 1434 CB LYS A 91 76.526 43.844 45.539 1.00 71.29 C ATOM 1435 CG LYS A 91 75.942 44.338 46.803 1.00 74.95 C ATOM 1436 CD LYS A 91 76.952 44.875 47.803 1.00 77.36 C ATOM 1437 CE LYS A 91 76.330 45.944 48.677 1.00 83.27 C ATOM 1438 NZ LYS A 91 75.330 45.400 49.641 1.00 85.08 N ATOM 1439 HA LYS A 91 78.040 42.953 44.423 1.00 0.00 H ATOM 1440 HB2 LYS A 91 76.368 44.636 44.807 1.00 0.00 H ATOM 1441 HB3 LYS A 91 75.938 42.970 45.259 1.00 0.00 H ATOM 1442 HG2 LYS A 91 75.242 45.139 46.564 1.00 0.00 H ATOM 1443 HG3 LYS A 91 75.404 43.515 47.273 1.00 0.00 H ATOM 1444 HD2 LYS A 91 77.301 44.057 48.433 1.00 0.00 H ATOM 1445 HD3 LYS A 91 77.797 45.302 47.263 1.00 0.00 H ATOM 1446 HE2 LYS A 91 75.834 46.672 48.035 1.00 0.00 H ATOM 1447 HE3 LYS A 91 77.122 46.438 49.240 1.00 0.00 H ATOM 1448 HZ1 LYS A 91 74.562 44.934 49.116 1.00 0.00 H ATOM 1449 HZ2 LYS A 91 75.793 44.710 50.266 1.00 0.00 H ATOM 1450 HZ3 LYS A 91 74.940 46.178 50.210 1.00 0.00 H ATOM 1451 H LYS A 91 77.761 42.044 47.054 1.00 0.00 H TER 1452 LYS A 91 ATOM 1453 N PRO B 1 80.664 24.773 37.466 1.00 33.68 N ATOM 1454 CA PRO B 1 79.431 24.934 38.312 1.00 32.89 C ATOM 1455 C PRO B 1 78.404 23.937 37.878 1.00 33.92 C ATOM 1456 O PRO B 1 78.561 23.391 36.811 1.00 40.60 O ATOM 1457 CB PRO B 1 79.041 26.351 38.245 1.00 32.15 C ATOM 1458 CG PRO B 1 80.195 27.074 37.745 1.00 34.82 C ATOM 1459 CD PRO B 1 81.328 26.119 37.425 1.00 36.05 C ATOM 1460 HA PRO B 1 79.586 24.711 39.368 1.00 0.00 H ATOM 1461 HD3 PRO B 1 81.743 26.321 36.437 1.00 0.00 H ATOM 1462 HD2 PRO B 1 82.120 26.187 38.171 1.00 0.00 H ATOM 1463 HG3 PRO B 1 80.528 27.784 38.502 1.00 0.00 H ATOM 1464 HG2 PRO B 1 79.915 27.614 36.840 1.00 0.00 H ATOM 1465 HB2 PRO B 1 78.195 26.477 37.569 1.00 0.00 H ATOM 1466 HB3 PRO B 1 78.769 26.714 39.236 1.00 0.00 H ATOM 1467 N SER B 2 77.447 23.526 38.679 1.00 32.21 N ATOM 1468 CA SER B 2 76.529 22.532 38.195 1.00 33.73 C ATOM 1469 C SER B 2 75.360 23.264 37.523 1.00 34.56 C ATOM 1470 O SER B 2 75.168 24.481 37.645 1.00 36.52 O ATOM 1471 CB SER B 2 76.042 21.705 39.405 1.00 26.59 C ATOM 1472 OG SER B 2 75.282 22.578 40.195 1.00 34.51 O ATOM 1473 HA SER B 2 76.993 21.861 37.472 1.00 0.00 H ATOM 1474 HB2 SER B 2 76.893 21.326 39.971 1.00 0.00 H ATOM 1475 HB3 SER B 2 75.429 20.868 39.069 1.00 0.00 H ATOM 1476 HG SER B 2 74.518 22.920 39.666 1.00 0.00 H ATOM 1477 H SER B 2 77.356 23.911 39.641 1.00 0.00 H ATOM 1478 N GLN B 3 74.421 22.462 37.004 1.00 33.04 N ATOM 1479 CA GLN B 3 73.181 23.145 36.549 1.00 33.60 C ATOM 1480 C GLN B 3 72.468 23.811 37.703 1.00 30.88 C ATOM 1481 O GLN B 3 71.909 24.887 37.622 1.00 36.43 O ATOM 1482 CB GLN B 3 72.302 22.055 35.942 1.00 37.95 C ATOM 1483 CG GLN B 3 72.548 21.893 34.431 1.00 43.25 C ATOM 1484 CD GLN B 3 71.482 20.891 33.928 1.00 50.41 C ATOM 1485 OE1 GLN B 3 71.521 19.714 34.290 1.00 54.26 O ATOM 1486 NE2 GLN B 3 70.510 21.384 33.186 1.00 51.26 N ATOM 1487 HA GLN B 3 73.410 23.930 35.829 1.00 0.00 H ATOM 1488 HB2 GLN B 3 72.520 21.109 36.438 1.00 0.00 H ATOM 1489 HB3 GLN B 3 71.256 22.315 36.103 1.00 0.00 H ATOM 1490 HG2 GLN B 3 72.436 22.851 33.924 1.00 0.00 H ATOM 1491 HG3 GLN B 3 73.550 21.503 34.250 1.00 0.00 H ATOM 1492 HE22 GLN B 3 70.525 22.386 32.908 1.00 0.00 H ATOM 1493 HE21 GLN B 3 69.728 20.771 32.879 1.00 0.00 H ATOM 1494 H GLN B 3 74.550 21.433 36.925 1.00 0.00 H ATOM 1495 N MET B 4 72.371 23.181 38.856 1.00 33.85 N ATOM 1496 CA MET B 4 71.686 23.695 40.065 1.00 30.21 C ATOM 1497 C MET B 4 72.299 25.017 40.473 1.00 25.64 C ATOM 1498 O MET B 4 71.601 25.975 40.692 1.00 26.20 O ATOM 1499 CB MET B 4 71.723 22.672 41.148 1.00 32.88 C ATOM 1500 CG MET B 4 70.530 21.737 41.267 1.00 37.23 C ATOM 1501 SD MET B 4 68.938 22.323 40.976 1.00 39.11 S ATOM 1502 CE MET B 4 68.060 22.854 42.361 1.00 34.94 C ATOM 1503 HA MET B 4 70.634 23.883 39.852 1.00 0.00 H ATOM 1504 HB2 MET B 4 72.607 22.056 40.986 1.00 0.00 H ATOM 1505 HB3 MET B 4 71.820 23.202 42.096 1.00 0.00 H ATOM 1506 HG2 MET B 4 70.539 21.344 42.284 1.00 0.00 H ATOM 1507 HG3 MET B 4 70.698 20.922 40.563 1.00 0.00 H ATOM 1508 HE1 MET B 4 67.954 22.026 43.062 1.00 0.00 H ATOM 1509 HE2 MET B 4 68.600 23.671 42.841 1.00 0.00 H ATOM 1510 HE3 MET B 4 67.073 23.200 42.053 1.00 0.00 H ATOM 1511 H MET B 4 72.813 22.242 38.923 1.00 0.00 H ATOM 1512 N GLU B 5 73.613 25.128 40.450 1.00 24.46 N ATOM 1513 CA GLU B 5 74.289 26.350 40.775 1.00 28.90 C ATOM 1514 C GLU B 5 74.026 27.453 39.766 1.00 31.31 C ATOM 1515 O GLU B 5 73.749 28.554 40.245 1.00 33.34 O ATOM 1516 CB GLU B 5 75.827 26.161 40.859 1.00 30.99 C ATOM 1517 CG GLU B 5 76.184 25.260 42.043 1.00 32.68 C ATOM 1518 CD GLU B 5 77.682 24.963 42.054 1.00 38.37 C ATOM 1519 OE1 GLU B 5 78.334 24.801 41.007 1.00 38.93 O ATOM 1520 OE2 GLU B 5 78.263 24.870 43.146 1.00 40.20 O ATOM 1521 HA GLU B 5 73.887 26.637 41.747 1.00 0.00 H ATOM 1522 HB2 GLU B 5 76.185 25.703 39.937 1.00 0.00 H ATOM 1523 HB3 GLU B 5 76.303 27.133 40.989 1.00 0.00 H ATOM 1524 HG2 GLU B 5 75.910 25.761 42.971 1.00 0.00 H ATOM 1525 HG3 GLU B 5 75.633 24.323 41.961 1.00 0.00 H ATOM 1526 H GLU B 5 74.181 24.297 40.186 1.00 0.00 H ATOM 1527 N HIS B 6 73.954 27.096 38.437 1.00 30.78 N ATOM 1528 CA HIS B 6 73.598 28.122 37.442 1.00 24.58 C ATOM 1529 C HIS B 6 72.183 28.529 37.666 1.00 23.49 C ATOM 1530 O HIS B 6 71.903 29.709 37.587 1.00 26.38 O ATOM 1531 CB HIS B 6 73.692 27.625 36.002 1.00 28.50 C ATOM 1532 CG HIS B 6 75.105 27.719 35.504 1.00 17.28 C ATOM 1533 ND1 HIS B 6 75.562 28.927 35.015 1.00 19.11 N ATOM 1534 CD2 HIS B 6 76.066 26.811 35.494 1.00 16.03 C ATOM 1535 CE1 HIS B 6 76.868 28.746 34.689 1.00 19.74 C ATOM 1536 NE2 HIS B 6 77.184 27.484 34.962 1.00 24.92 N ATOM 1537 HA HIS B 6 74.305 28.941 37.571 1.00 0.00 H ATOM 1538 HB2 HIS B 6 73.365 26.586 35.959 1.00 0.00 H ATOM 1539 HB3 HIS B 6 73.047 28.235 35.369 1.00 0.00 H ATOM 1540 HD2 HIS B 6 76.007 25.774 35.824 1.00 0.00 H ATOM 1541 HE1 HIS B 6 77.538 29.501 34.277 1.00 0.00 H ATOM 1542 H HIS B 6 74.148 26.118 38.141 1.00 0.00 H ATOM 1543 N ALA B 7 71.330 27.566 37.975 1.00 20.24 N ATOM 1544 CA ALA B 7 69.962 28.010 38.213 1.00 24.18 C ATOM 1545 C ALA B 7 69.819 28.922 39.384 1.00 27.31 C ATOM 1546 O ALA B 7 68.883 29.776 39.398 1.00 33.08 O ATOM 1547 CB ALA B 7 69.018 26.802 38.341 1.00 20.78 C ATOM 1548 HA ALA B 7 69.679 28.601 37.342 1.00 0.00 H ATOM 1549 HB1 ALA B 7 69.047 26.221 37.419 1.00 0.00 H ATOM 1550 HB2 ALA B 7 69.339 26.179 39.176 1.00 0.00 H ATOM 1551 HB3 ALA B 7 68.002 27.154 38.518 1.00 0.00 H ATOM 1552 H ALA B 7 71.614 26.568 38.043 1.00 0.00 H ATOM 1553 N MET B 8 70.556 28.686 40.448 1.00 29.07 N ATOM 1554 CA MET B 8 70.382 29.462 41.748 1.00 28.19 C ATOM 1555 C MET B 8 70.935 30.846 41.483 1.00 25.15 C ATOM 1556 O MET B 8 70.395 31.840 41.870 1.00 27.53 O ATOM 1557 CB MET B 8 71.251 28.760 42.841 1.00 25.67 C ATOM 1558 CG MET B 8 70.529 27.580 43.445 1.00 27.31 C ATOM 1559 SD MET B 8 71.591 26.461 44.424 1.00 35.98 S ATOM 1560 CE MET B 8 72.052 27.682 45.735 1.00 21.92 C ATOM 1561 HA MET B 8 69.344 29.506 42.078 1.00 0.00 H ATOM 1562 HB2 MET B 8 72.180 28.414 42.388 1.00 0.00 H ATOM 1563 HB3 MET B 8 71.478 29.478 43.629 1.00 0.00 H ATOM 1564 HG2 MET B 8 70.082 27.003 42.635 1.00 0.00 H ATOM 1565 HG3 MET B 8 69.742 27.959 44.097 1.00 0.00 H ATOM 1566 HE1 MET B 8 72.563 28.529 45.277 1.00 0.00 H ATOM 1567 HE2 MET B 8 71.150 28.030 46.239 1.00 0.00 H ATOM 1568 HE3 MET B 8 72.713 27.204 46.458 1.00 0.00 H ATOM 1569 H MET B 8 71.283 27.944 40.400 1.00 0.00 H ATOM 1570 N GLU B 9 72.070 30.900 40.793 1.00 25.11 N ATOM 1571 CA GLU B 9 72.632 32.169 40.433 1.00 29.77 C ATOM 1572 C GLU B 9 71.645 32.957 39.547 1.00 31.50 C ATOM 1573 O GLU B 9 71.402 34.100 39.895 1.00 34.41 O ATOM 1574 CB GLU B 9 73.926 32.008 39.610 1.00 29.67 C ATOM 1575 CG GLU B 9 74.590 33.357 39.314 1.00 34.43 C ATOM 1576 CD GLU B 9 76.052 33.203 38.981 1.00 43.47 C ATOM 1577 OE1 GLU B 9 76.784 32.454 39.697 1.00 45.89 O ATOM 1578 OE2 GLU B 9 76.591 33.795 37.989 1.00 47.84 O ATOM 1579 HA GLU B 9 72.842 32.691 41.367 1.00 0.00 H ATOM 1580 HB2 GLU B 9 74.625 31.387 40.170 1.00 0.00 H ATOM 1581 HB3 GLU B 9 73.684 31.520 38.666 1.00 0.00 H ATOM 1582 HG2 GLU B 9 74.083 33.822 38.469 1.00 0.00 H ATOM 1583 HG3 GLU B 9 74.494 33.997 40.191 1.00 0.00 H ATOM 1584 H GLU B 9 72.551 30.021 40.514 1.00 0.00 H ATOM 1585 N THR B 10 70.997 32.327 38.526 1.00 29.84 N ATOM 1586 CA THR B 10 70.145 33.078 37.670 1.00 29.14 C ATOM 1587 C THR B 10 69.027 33.677 38.485 1.00 29.57 C ATOM 1588 O THR B 10 68.833 34.835 38.208 1.00 29.11 O ATOM 1589 CB THR B 10 69.692 32.622 36.257 1.00 28.10 C ATOM 1590 OG1 THR B 10 68.327 32.287 36.157 1.00 29.26 O ATOM 1591 CG2 THR B 10 70.521 31.548 35.662 1.00 19.89 C ATOM 1592 HA THR B 10 70.873 33.790 37.281 1.00 0.00 H ATOM 1593 HB THR B 10 69.850 33.524 35.667 1.00 0.00 H ATOM 1594 HG1 THR B 10 68.124 32.009 35.229 1.00 0.00 H ATOM 1595 HG23 THR B 10 71.574 31.816 35.744 1.00 0.00 H ATOM 1596 HG21 THR B 10 70.340 30.614 36.194 1.00 0.00 H ATOM 1597 HG22 THR B 10 70.257 31.426 34.612 1.00 0.00 H ATOM 1598 H THR B 10 71.125 31.306 38.375 1.00 0.00 H ATOM 1599 N MET B 11 68.409 33.001 39.421 1.00 32.42 N ATOM 1600 CA MET B 11 67.363 33.517 40.255 1.00 32.99 C ATOM 1601 C MET B 11 67.860 34.617 41.182 1.00 39.35 C ATOM 1602 O MET B 11 67.039 35.477 41.543 1.00 43.02 O ATOM 1603 CB MET B 11 66.599 32.478 41.059 1.00 31.87 C ATOM 1604 CG MET B 11 66.341 31.116 40.387 1.00 30.29 C ATOM 1605 SD MET B 11 65.120 30.207 41.360 1.00 39.23 S ATOM 1606 CE MET B 11 64.421 29.010 40.247 1.00 44.74 C ATOM 1607 HA MET B 11 66.652 33.929 39.540 1.00 0.00 H ATOM 1608 HB2 MET B 11 67.163 32.291 41.973 1.00 0.00 H ATOM 1609 HB3 MET B 11 65.630 32.907 41.313 1.00 0.00 H ATOM 1610 HG2 MET B 11 67.270 30.548 40.342 1.00 0.00 H ATOM 1611 HG3 MET B 11 65.962 31.272 39.377 1.00 0.00 H ATOM 1612 HE1 MET B 11 63.957 29.525 39.406 1.00 0.00 H ATOM 1613 HE2 MET B 11 65.209 28.352 39.881 1.00 0.00 H ATOM 1614 HE3 MET B 11 63.670 28.421 40.774 1.00 0.00 H ATOM 1615 H MET B 11 68.699 32.014 39.571 1.00 0.00 H ATOM 1616 N MET B 12 69.107 34.605 41.629 1.00 40.44 N ATOM 1617 CA MET B 12 69.664 35.609 42.498 1.00 39.82 C ATOM 1618 C MET B 12 69.908 36.897 41.695 1.00 39.09 C ATOM 1619 O MET B 12 69.608 38.008 42.124 1.00 37.22 O ATOM 1620 CB MET B 12 71.098 35.183 42.977 1.00 41.61 C ATOM 1621 CG MET B 12 71.467 35.699 44.359 1.00 44.68 C ATOM 1622 SD MET B 12 72.939 34.906 45.045 1.00 47.64 S ATOM 1623 CE MET B 12 74.226 35.849 44.304 1.00 38.57 C ATOM 1624 HA MET B 12 68.971 35.741 43.329 1.00 0.00 H ATOM 1625 HB2 MET B 12 71.145 34.094 42.994 1.00 0.00 H ATOM 1626 HB3 MET B 12 71.826 35.566 42.262 1.00 0.00 H ATOM 1627 HG2 MET B 12 70.629 35.517 45.032 1.00 0.00 H ATOM 1628 HG3 MET B 12 71.650 36.771 44.291 1.00 0.00 H ATOM 1629 HE1 MET B 12 74.158 35.766 43.219 1.00 0.00 H ATOM 1630 HE2 MET B 12 74.124 36.894 44.597 1.00 0.00 H ATOM 1631 HE3 MET B 12 75.192 35.470 44.639 1.00 0.00 H ATOM 1632 H MET B 12 69.723 33.821 41.334 1.00 0.00 H ATOM 1633 N PHE B 13 70.552 36.703 40.541 1.00 37.50 N ATOM 1634 CA PHE B 13 70.876 37.828 39.671 1.00 39.35 C ATOM 1635 C PHE B 13 69.625 38.495 39.076 1.00 40.95 C ATOM 1636 O PHE B 13 69.697 39.722 38.942 1.00 42.28 O ATOM 1637 CB PHE B 13 71.881 37.437 38.639 1.00 41.15 C ATOM 1638 CG PHE B 13 73.300 37.241 38.983 1.00 46.49 C ATOM 1639 CD1 PHE B 13 73.796 37.528 40.269 1.00 53.35 C ATOM 1640 CD2 PHE B 13 74.217 36.800 38.049 1.00 50.50 C ATOM 1641 CE1 PHE B 13 75.114 37.368 40.612 1.00 53.53 C ATOM 1642 CE2 PHE B 13 75.562 36.635 38.357 1.00 56.53 C ATOM 1643 CZ PHE B 13 76.023 36.923 39.648 1.00 56.88 C ATOM 1644 HA PHE B 13 71.341 38.596 40.289 1.00 0.00 H ATOM 1645 HB2 PHE B 13 71.535 36.495 38.213 1.00 0.00 H ATOM 1646 HB3 PHE B 13 71.854 38.212 37.873 1.00 0.00 H ATOM 1647 HD2 PHE B 13 73.875 36.574 37.039 1.00 0.00 H ATOM 1648 HE2 PHE B 13 76.257 36.282 37.595 1.00 0.00 H ATOM 1649 HZ PHE B 13 77.077 36.802 39.898 1.00 0.00 H ATOM 1650 HE1 PHE B 13 75.449 37.586 41.626 1.00 0.00 H ATOM 1651 HD1 PHE B 13 73.102 37.894 41.025 1.00 0.00 H ATOM 1652 H PHE B 13 70.825 35.740 40.260 1.00 0.00 H ATOM 1653 N THR B 14 68.528 37.800 38.880 1.00 40.60 N ATOM 1654 CA THR B 14 67.262 38.225 38.378 1.00 43.22 C ATOM 1655 C THR B 14 66.669 39.256 39.332 1.00 42.91 C ATOM 1656 O THR B 14 66.335 40.375 38.952 1.00 42.84 O ATOM 1657 CB THR B 14 66.157 37.140 38.204 1.00 42.80 C ATOM 1658 OG1 THR B 14 66.536 36.179 37.229 1.00 48.71 O ATOM 1659 CG2 THR B 14 64.854 37.689 37.621 1.00 40.89 C ATOM 1660 HA THR B 14 67.505 38.591 37.380 1.00 0.00 H ATOM 1661 HB THR B 14 66.027 36.741 39.210 1.00 0.00 H ATOM 1662 HG1 THR B 14 67.375 35.736 37.513 1.00 0.00 H ATOM 1663 HG23 THR B 14 64.452 38.451 38.288 1.00 0.00 H ATOM 1664 HG21 THR B 14 65.051 38.128 36.643 1.00 0.00 H ATOM 1665 HG22 THR B 14 64.133 36.878 37.518 1.00 0.00 H ATOM 1666 H THR B 14 68.592 36.792 39.127 1.00 0.00 H ATOM 1667 N PHE B 15 66.438 38.773 40.553 1.00 42.60 N ATOM 1668 CA PHE B 15 65.959 39.667 41.607 1.00 43.36 C ATOM 1669 C PHE B 15 66.848 40.944 41.667 1.00 43.32 C ATOM 1670 O PHE B 15 66.307 42.015 41.710 1.00 40.18 O ATOM 1671 CB PHE B 15 66.115 39.004 42.990 1.00 41.48 C ATOM 1672 CG PHE B 15 65.819 39.935 44.156 1.00 37.88 C ATOM 1673 CD1 PHE B 15 66.837 40.693 44.731 1.00 32.05 C ATOM 1674 CD2 PHE B 15 64.541 40.010 44.669 1.00 32.73 C ATOM 1675 CE1 PHE B 15 66.528 41.505 45.805 1.00 31.45 C ATOM 1676 CE2 PHE B 15 64.243 40.850 45.732 1.00 34.38 C ATOM 1677 CZ PHE B 15 65.265 41.599 46.305 1.00 27.96 C ATOM 1678 HA PHE B 15 64.917 39.897 41.383 1.00 0.00 H ATOM 1679 HB2 PHE B 15 65.431 38.157 43.044 1.00 0.00 H ATOM 1680 HB3 PHE B 15 67.141 38.648 43.087 1.00 0.00 H ATOM 1681 HD2 PHE B 15 63.752 39.399 44.232 1.00 0.00 H ATOM 1682 HE2 PHE B 15 63.224 40.922 46.112 1.00 0.00 H ATOM 1683 HZ PHE B 15 65.056 42.257 47.149 1.00 0.00 H ATOM 1684 HE1 PHE B 15 67.322 42.090 46.268 1.00 0.00 H ATOM 1685 HD1 PHE B 15 67.854 40.646 44.342 1.00 0.00 H ATOM 1686 H PHE B 15 66.598 37.765 40.755 1.00 0.00 H ATOM 1687 N HIS B 16 68.186 40.816 41.665 1.00 43.26 N ATOM 1688 CA HIS B 16 68.961 42.023 41.800 1.00 49.12 C ATOM 1689 C HIS B 16 68.766 43.010 40.674 1.00 53.43 C ATOM 1690 O HIS B 16 68.715 44.231 40.883 1.00 54.52 O ATOM 1691 CB HIS B 16 70.441 41.761 42.089 1.00 46.31 C ATOM 1692 CG HIS B 16 70.582 41.269 43.508 1.00 52.34 C ATOM 1693 ND1 HIS B 16 70.359 42.085 44.590 1.00 57.19 N ATOM 1694 CD2 HIS B 16 70.886 40.061 44.032 1.00 53.68 C ATOM 1695 CE1 HIS B 16 70.512 41.433 45.724 1.00 53.90 C ATOM 1696 NE2 HIS B 16 70.825 40.198 45.396 1.00 56.70 N ATOM 1697 HA HIS B 16 68.552 42.507 42.687 1.00 0.00 H ATOM 1698 HB2 HIS B 16 70.821 41.006 41.400 1.00 0.00 H ATOM 1699 HB3 HIS B 16 71.008 42.684 41.963 1.00 0.00 H ATOM 1700 HD2 HIS B 16 71.132 39.154 43.479 1.00 0.00 H ATOM 1701 HE1 HIS B 16 70.402 41.835 46.731 1.00 0.00 H ATOM 1702 H HIS B 16 68.642 39.886 41.570 1.00 0.00 H ATOM 1703 N LYS B 17 68.614 42.476 39.475 1.00 56.54 N ATOM 1704 CA LYS B 17 68.495 43.133 38.210 1.00 55.68 C ATOM 1705 C LYS B 17 67.279 44.069 38.243 1.00 54.56 C ATOM 1706 O LYS B 17 67.363 45.153 37.705 1.00 55.13 O ATOM 1707 CB LYS B 17 68.166 42.086 37.134 1.00 60.22 C ATOM 1708 CG LYS B 17 69.078 41.837 35.967 1.00 62.17 C ATOM 1709 CD LYS B 17 68.881 40.373 35.487 1.00 63.56 C ATOM 1710 CE LYS B 17 70.203 39.642 35.338 1.00 66.80 C ATOM 1711 NZ LYS B 17 70.001 38.210 34.940 1.00 73.27 N ATOM 1712 HA LYS B 17 69.423 43.666 38.003 1.00 0.00 H ATOM 1713 HB2 LYS B 17 68.067 41.133 37.654 1.00 0.00 H ATOM 1714 HB3 LYS B 17 67.202 42.371 36.714 1.00 0.00 H ATOM 1715 HG2 LYS B 17 68.835 42.525 35.157 1.00 0.00 H ATOM 1716 HG3 LYS B 17 70.114 41.988 36.271 1.00 0.00 H ATOM 1717 HD2 LYS B 17 68.265 39.843 36.214 1.00 0.00 H ATOM 1718 HD3 LYS B 17 68.373 40.384 34.522 1.00 0.00 H ATOM 1719 HE2 LYS B 17 70.734 39.673 36.289 1.00 0.00 H ATOM 1720 HE3 LYS B 17 70.799 40.141 34.574 1.00 0.00 H ATOM 1721 HZ1 LYS B 17 69.438 37.725 35.668 1.00 0.00 H ATOM 1722 HZ2 LYS B 17 69.500 38.172 34.029 1.00 0.00 H ATOM 1723 HZ3 LYS B 17 70.926 37.743 34.848 1.00 0.00 H ATOM 1724 H LYS B 17 68.576 41.437 39.447 1.00 0.00 H ATOM 1725 N PHE B 18 66.211 43.587 38.832 1.00 51.72 N ATOM 1726 CA PHE B 18 64.995 44.372 38.877 1.00 56.91 C ATOM 1727 C PHE B 18 64.872 45.192 40.148 1.00 61.53 C ATOM 1728 O PHE B 18 63.933 45.998 40.314 1.00 61.89 O ATOM 1729 CB PHE B 18 63.780 43.424 38.659 1.00 51.93 C ATOM 1730 CG PHE B 18 63.780 42.815 37.268 1.00 57.61 C ATOM 1731 CD1 PHE B 18 63.404 43.583 36.151 1.00 56.43 C ATOM 1732 CD2 PHE B 18 64.181 41.510 37.030 1.00 55.84 C ATOM 1733 CE1 PHE B 18 63.414 43.029 34.887 1.00 55.62 C ATOM 1734 CE2 PHE B 18 64.243 40.940 35.768 1.00 51.88 C ATOM 1735 CZ PHE B 18 63.840 41.717 34.688 1.00 55.75 C ATOM 1736 HA PHE B 18 65.021 45.108 38.074 1.00 0.00 H ATOM 1737 HB2 PHE B 18 63.822 42.622 39.395 1.00 0.00 H ATOM 1738 HB3 PHE B 18 62.860 43.993 38.795 1.00 0.00 H ATOM 1739 HD2 PHE B 18 64.464 40.896 37.885 1.00 0.00 H ATOM 1740 HE2 PHE B 18 64.595 39.918 35.627 1.00 0.00 H ATOM 1741 HZ PHE B 18 63.857 41.299 33.682 1.00 0.00 H ATOM 1742 HE1 PHE B 18 63.085 43.624 34.035 1.00 0.00 H ATOM 1743 HD1 PHE B 18 63.103 44.622 36.285 1.00 0.00 H ATOM 1744 H PHE B 18 66.237 42.642 39.266 1.00 0.00 H ATOM 1745 N ALA B 19 65.785 44.936 41.116 1.00 63.00 N ATOM 1746 CA ALA B 19 65.613 45.565 42.415 1.00 64.83 C ATOM 1747 C ALA B 19 66.428 46.838 42.484 1.00 66.82 C ATOM 1748 O ALA B 19 65.999 47.809 43.109 1.00 66.49 O ATOM 1749 CB ALA B 19 65.805 44.584 43.544 1.00 62.99 C ATOM 1750 HA ALA B 19 64.579 45.884 42.546 1.00 0.00 H ATOM 1751 HB1 ALA B 19 65.074 43.780 43.454 1.00 0.00 H ATOM 1752 HB2 ALA B 19 66.812 44.169 43.496 1.00 0.00 H ATOM 1753 HB3 ALA B 19 65.667 45.096 44.496 1.00 0.00 H ATOM 1754 H ALA B 19 66.590 44.304 40.934 1.00 0.00 H ATOM 1755 N GLY B 20 67.579 46.868 41.825 1.00 68.48 N ATOM 1756 CA GLY B 20 68.362 48.108 41.867 1.00 70.69 C ATOM 1757 C GLY B 20 69.264 48.171 43.067 1.00 72.23 C ATOM 1758 O GLY B 20 69.508 47.149 43.702 1.00 72.47 O ATOM 1759 HA3 GLY B 20 67.677 48.955 41.898 1.00 0.00 H ATOM 1760 HA2 GLY B 20 68.972 48.169 40.966 1.00 0.00 H ATOM 1761 H GLY B 20 67.916 46.039 41.295 1.00 0.00 H ATOM 1762 N ASP B 21 69.860 49.339 43.319 1.00 73.85 N ATOM 1763 CA ASP B 21 70.783 49.474 44.470 1.00 72.96 C ATOM 1764 C ASP B 21 69.956 49.418 45.736 1.00 71.47 C ATOM 1765 O ASP B 21 70.345 48.837 46.745 1.00 70.65 O ATOM 1766 CB ASP B 21 71.587 50.744 44.343 1.00 78.59 C ATOM 1767 CG ASP B 21 73.086 50.573 44.303 1.00 83.56 C ATOM 1768 OD1 ASP B 21 73.644 50.111 43.280 1.00 84.21 O ATOM 1769 OD2 ASP B 21 73.738 50.919 45.328 1.00 87.10 O ATOM 1770 HA ASP B 21 71.508 48.661 44.498 1.00 0.00 H ATOM 1771 HB2 ASP B 21 71.283 51.242 43.422 1.00 0.00 H ATOM 1772 HB3 ASP B 21 71.346 51.379 45.195 1.00 0.00 H ATOM 1773 H ASP B 21 69.675 50.158 42.705 1.00 0.00 H ATOM 1774 N LYS B 22 68.700 49.894 45.703 1.00 69.90 N ATOM 1775 CA LYS B 22 67.805 49.839 46.837 1.00 68.20 C ATOM 1776 C LYS B 22 67.668 48.441 47.437 1.00 67.50 C ATOM 1777 O LYS B 22 67.050 48.356 48.523 1.00 67.97 O ATOM 1778 CB LYS B 22 66.393 50.363 46.593 1.00 64.78 C ATOM 1779 CG LYS B 22 65.828 50.444 45.211 1.00 64.48 C ATOM 1780 CD LYS B 22 64.301 50.395 45.208 1.00 64.34 C ATOM 1781 CE LYS B 22 63.785 49.728 43.931 1.00 66.32 C ATOM 1782 NZ LYS B 22 62.338 49.372 44.070 1.00 67.34 N ATOM 1783 HA LYS B 22 68.305 50.513 47.533 1.00 0.00 H ATOM 1784 HB2 LYS B 22 65.722 49.723 47.165 1.00 0.00 H ATOM 1785 HB3 LYS B 22 66.363 51.374 47.000 1.00 0.00 H ATOM 1786 HG2 LYS B 22 66.150 51.380 44.754 1.00 0.00 H ATOM 1787 HG3 LYS B 22 66.208 49.606 44.627 1.00 0.00 H ATOM 1788 HD2 LYS B 22 63.959 49.826 46.073 1.00 0.00 H ATOM 1789 HD3 LYS B 22 63.910 51.411 45.265 1.00 0.00 H ATOM 1790 HE2 LYS B 22 64.361 48.822 43.742 1.00 0.00 H ATOM 1791 HE3 LYS B 22 63.906 50.415 43.094 1.00 0.00 H ATOM 1792 HZ1 LYS B 22 62.219 48.714 44.866 1.00 0.00 H ATOM 1793 HZ2 LYS B 22 61.785 50.235 44.247 1.00 0.00 H ATOM 1794 HZ3 LYS B 22 62.007 48.921 43.193 1.00 0.00 H ATOM 1795 H LYS B 22 68.355 50.322 44.820 1.00 0.00 H ATOM 1796 N GLY B 23 68.084 47.370 46.799 1.00 66.59 N ATOM 1797 CA GLY B 23 68.014 46.016 47.267 1.00 65.06 C ATOM 1798 C GLY B 23 66.659 45.377 47.449 1.00 63.15 C ATOM 1799 O GLY B 23 66.575 44.289 48.047 1.00 63.66 O ATOM 1800 HA3 GLY B 23 68.515 45.985 48.234 1.00 0.00 H ATOM 1801 HA2 GLY B 23 68.565 45.402 46.554 1.00 0.00 H ATOM 1802 H GLY B 23 68.506 47.519 45.860 1.00 0.00 H ATOM 1803 N TYR B 24 65.562 45.953 46.999 1.00 60.56 N ATOM 1804 CA TYR B 24 64.253 45.302 47.145 1.00 58.87 C ATOM 1805 C TYR B 24 63.417 45.711 45.909 1.00 58.61 C ATOM 1806 O TYR B 24 63.908 46.531 45.107 1.00 57.23 O ATOM 1807 CB TYR B 24 63.516 45.726 48.387 1.00 58.30 C ATOM 1808 CG TYR B 24 63.294 47.231 48.388 1.00 62.19 C ATOM 1809 CD1 TYR B 24 64.268 48.086 48.887 1.00 63.14 C ATOM 1810 CD2 TYR B 24 62.124 47.776 47.864 1.00 63.99 C ATOM 1811 CE1 TYR B 24 64.080 49.449 48.877 1.00 67.44 C ATOM 1812 CE2 TYR B 24 61.934 49.138 47.839 1.00 67.26 C ATOM 1813 CZ TYR B 24 62.906 49.972 48.366 1.00 69.33 C ATOM 1814 OH TYR B 24 62.701 51.339 48.350 1.00 71.96 O ATOM 1815 HA TYR B 24 64.404 44.225 47.225 1.00 0.00 H ATOM 1816 HB3 TYR B 24 64.101 45.449 49.264 1.00 0.00 H ATOM 1817 HB2 TYR B 24 62.551 45.221 48.422 1.00 0.00 H ATOM 1818 HD2 TYR B 24 61.351 47.116 47.470 1.00 0.00 H ATOM 1819 HE2 TYR B 24 61.025 49.558 47.408 1.00 0.00 H ATOM 1820 HE1 TYR B 24 64.851 50.112 49.269 1.00 0.00 H ATOM 1821 HD1 TYR B 24 65.192 47.673 49.291 1.00 0.00 H ATOM 1822 HH TYR B 24 63.480 51.793 48.759 1.00 0.00 H ATOM 1823 H TYR B 24 65.624 46.881 46.534 1.00 0.00 H ATOM 1824 N LEU B 25 62.198 45.223 45.804 1.00 56.03 N ATOM 1825 CA LEU B 25 61.448 45.668 44.640 1.00 58.32 C ATOM 1826 C LEU B 25 60.100 46.236 44.998 1.00 60.74 C ATOM 1827 O LEU B 25 59.384 45.809 45.909 1.00 60.43 O ATOM 1828 CB LEU B 25 61.466 44.558 43.579 1.00 58.51 C ATOM 1829 CG LEU B 25 60.743 43.269 43.845 1.00 61.02 C ATOM 1830 CD1 LEU B 25 59.268 43.387 43.506 1.00 64.04 C ATOM 1831 CD2 LEU B 25 61.348 42.069 43.143 1.00 61.29 C ATOM 1832 HA LEU B 25 61.934 46.529 44.181 1.00 0.00 H ATOM 1833 HB2 LEU B 25 61.037 44.981 42.670 1.00 0.00 H ATOM 1834 HB3 LEU B 25 62.511 44.305 43.402 1.00 0.00 H ATOM 1835 HG LEU B 25 60.856 43.090 44.914 1.00 0.00 H ATOM 1836 HD21 LEU B 25 61.331 42.233 42.066 1.00 0.00 H ATOM 1837 HD22 LEU B 25 62.378 41.936 43.475 1.00 0.00 H ATOM 1838 HD23 LEU B 25 60.769 41.178 43.386 1.00 0.00 H ATOM 1839 HD11 LEU B 25 58.818 44.171 44.115 1.00 0.00 H ATOM 1840 HD12 LEU B 25 59.158 43.637 42.451 1.00 0.00 H ATOM 1841 HD13 LEU B 25 58.773 42.438 43.710 1.00 0.00 H ATOM 1842 H LEU B 25 61.800 44.565 46.504 1.00 0.00 H ATOM 1843 N THR B 26 59.681 47.278 44.261 1.00 63.53 N ATOM 1844 CA THR B 26 58.354 47.863 44.540 1.00 66.71 C ATOM 1845 C THR B 26 57.360 47.125 43.649 1.00 67.49 C ATOM 1846 O THR B 26 57.821 46.267 42.862 1.00 66.92 O ATOM 1847 CB THR B 26 58.321 49.371 44.298 1.00 69.66 C ATOM 1848 OG1 THR B 26 59.574 49.969 44.706 1.00 69.05 O ATOM 1849 CG2 THR B 26 57.191 50.030 45.117 1.00 69.90 C ATOM 1850 HA THR B 26 58.099 47.742 45.593 1.00 0.00 H ATOM 1851 HB THR B 26 58.151 49.532 43.233 1.00 0.00 H ATOM 1852 HG1 THR B 26 59.540 50.945 44.545 1.00 0.00 H ATOM 1853 HG23 THR B 26 56.234 49.596 44.828 1.00 0.00 H ATOM 1854 HG21 THR B 26 57.365 49.856 46.179 1.00 0.00 H ATOM 1855 HG22 THR B 26 57.179 51.102 44.921 1.00 0.00 H ATOM 1856 H THR B 26 60.282 47.667 43.506 1.00 0.00 H ATOM 1857 N LYS B 27 56.072 47.442 43.703 1.00 67.13 N ATOM 1858 CA LYS B 27 55.113 46.755 42.831 1.00 69.00 C ATOM 1859 C LYS B 27 55.411 47.080 41.364 1.00 69.83 C ATOM 1860 O LYS B 27 55.273 46.276 40.448 1.00 69.42 O ATOM 1861 CB LYS B 27 53.683 47.031 43.248 1.00 70.37 C ATOM 1862 CG LYS B 27 52.901 47.976 42.370 1.00 76.33 C ATOM 1863 CD LYS B 27 51.448 48.178 42.753 1.00 79.81 C ATOM 1864 CE LYS B 27 51.250 48.933 44.059 1.00 80.37 C ATOM 1865 NZ LYS B 27 51.171 50.405 43.910 1.00 78.27 N ATOM 1866 HA LYS B 27 55.233 45.677 42.941 1.00 0.00 H ATOM 1867 HB2 LYS B 27 53.153 46.079 43.267 1.00 0.00 H ATOM 1868 HB3 LYS B 27 53.705 47.453 44.253 1.00 0.00 H ATOM 1869 HG2 LYS B 27 53.394 48.948 42.401 1.00 0.00 H ATOM 1870 HG3 LYS B 27 52.929 47.588 41.352 1.00 0.00 H ATOM 1871 HD2 LYS B 27 50.958 48.737 41.956 1.00 0.00 H ATOM 1872 HD3 LYS B 27 50.979 47.199 42.849 1.00 0.00 H ATOM 1873 HE2 LYS B 27 52.087 48.701 44.717 1.00 0.00 H ATOM 1874 HE3 LYS B 27 50.323 48.586 44.516 1.00 0.00 H ATOM 1875 HZ1 LYS B 27 52.053 50.757 43.486 1.00 0.00 H ATOM 1876 HZ2 LYS B 27 50.369 50.647 43.294 1.00 0.00 H ATOM 1877 HZ3 LYS B 27 51.036 50.840 44.845 1.00 0.00 H ATOM 1878 H LYS B 27 55.743 48.176 44.362 1.00 0.00 H ATOM 1879 N GLU B 28 55.996 48.232 41.093 1.00 69.34 N ATOM 1880 CA GLU B 28 56.385 48.718 39.797 1.00 70.63 C ATOM 1881 C GLU B 28 57.488 47.841 39.209 1.00 69.97 C ATOM 1882 O GLU B 28 57.747 47.739 37.996 1.00 71.66 O ATOM 1883 CB GLU B 28 56.858 50.176 39.923 1.00 75.29 C ATOM 1884 CG GLU B 28 56.339 50.889 41.194 1.00 78.54 C ATOM 1885 CD GLU B 28 54.814 50.812 41.291 1.00 80.96 C ATOM 1886 OE1 GLU B 28 54.160 50.665 40.223 1.00 80.41 O ATOM 1887 OE2 GLU B 28 54.294 50.861 42.432 1.00 79.64 O ATOM 1888 HA GLU B 28 55.529 48.678 39.123 1.00 0.00 H ATOM 1889 HB2 GLU B 28 57.948 50.184 39.944 1.00 0.00 H ATOM 1890 HB3 GLU B 28 56.508 50.728 39.051 1.00 0.00 H ATOM 1891 HG2 GLU B 28 56.775 50.413 42.072 1.00 0.00 H ATOM 1892 HG3 GLU B 28 56.641 51.936 41.162 1.00 0.00 H ATOM 1893 H GLU B 28 56.197 48.854 41.902 1.00 0.00 H ATOM 1894 N ASP B 29 58.192 47.193 40.118 1.00 66.08 N ATOM 1895 CA ASP B 29 59.276 46.302 39.808 1.00 61.98 C ATOM 1896 C ASP B 29 58.790 44.877 39.617 1.00 58.29 C ATOM 1897 O ASP B 29 59.305 44.155 38.791 1.00 57.11 O ATOM 1898 CB ASP B 29 60.264 46.383 40.971 1.00 65.12 C ATOM 1899 CG ASP B 29 60.835 47.787 40.977 1.00 67.85 C ATOM 1900 OD1 ASP B 29 60.036 48.722 41.176 1.00 74.99 O ATOM 1901 OD2 ASP B 29 62.031 47.929 40.765 1.00 70.82 O ATOM 1902 HA ASP B 29 59.748 46.595 38.870 1.00 0.00 H ATOM 1903 HB2 ASP B 29 59.751 46.184 41.912 1.00 0.00 H ATOM 1904 HB3 ASP B 29 61.063 45.655 40.834 1.00 0.00 H ATOM 1905 H ASP B 29 57.948 47.336 41.119 1.00 0.00 H ATOM 1906 N LEU B 30 57.799 44.486 40.387 1.00 56.39 N ATOM 1907 CA LEU B 30 57.273 43.128 40.291 1.00 56.27 C ATOM 1908 C LEU B 30 56.674 42.943 38.903 1.00 57.11 C ATOM 1909 O LEU B 30 57.173 42.063 38.172 1.00 57.84 O ATOM 1910 CB LEU B 30 56.390 42.776 41.452 1.00 50.13 C ATOM 1911 CG LEU B 30 55.889 41.361 41.583 1.00 48.68 C ATOM 1912 CD1 LEU B 30 57.018 40.365 41.772 1.00 43.01 C ATOM 1913 CD2 LEU B 30 54.833 41.266 42.682 1.00 51.00 C ATOM 1914 HA LEU B 30 58.071 42.391 40.383 1.00 0.00 H ATOM 1915 HB2 LEU B 30 56.949 43.003 42.360 1.00 0.00 H ATOM 1916 HB3 LEU B 30 55.514 43.422 41.395 1.00 0.00 H ATOM 1917 HG LEU B 30 55.411 41.087 40.643 1.00 0.00 H ATOM 1918 HD21 LEU B 30 55.269 41.577 43.631 1.00 0.00 H ATOM 1919 HD22 LEU B 30 53.994 41.917 42.436 1.00 0.00 H ATOM 1920 HD23 LEU B 30 54.484 40.236 42.761 1.00 0.00 H ATOM 1921 HD11 LEU B 30 57.687 40.409 40.912 1.00 0.00 H ATOM 1922 HD12 LEU B 30 57.572 40.613 42.678 1.00 0.00 H ATOM 1923 HD13 LEU B 30 56.604 39.361 41.861 1.00 0.00 H ATOM 1924 H LEU B 30 57.386 45.151 41.071 1.00 0.00 H ATOM 1925 N ARG B 31 55.761 43.798 38.496 1.00 57.44 N ATOM 1926 CA ARG B 31 55.151 43.833 37.188 1.00 59.18 C ATOM 1927 C ARG B 31 56.148 43.695 36.031 1.00 57.17 C ATOM 1928 O ARG B 31 56.024 42.850 35.137 1.00 58.34 O ATOM 1929 CB ARG B 31 54.506 45.215 36.952 1.00 66.44 C ATOM 1930 CG ARG B 31 53.002 45.286 37.208 1.00 73.85 C ATOM 1931 CD ARG B 31 52.432 46.546 36.522 1.00 78.58 C ATOM 1932 NE ARG B 31 52.865 46.566 35.121 1.00 81.86 N ATOM 1933 CZ ARG B 31 53.820 47.373 34.651 1.00 82.50 C ATOM 1934 NH1 ARG B 31 54.425 48.212 35.493 1.00 83.07 N ATOM 1935 NH2 ARG B 31 54.147 47.303 33.376 1.00 80.58 N ATOM 1936 HA ARG B 31 54.451 42.998 37.189 1.00 0.00 H ATOM 1937 HB2 ARG B 31 54.994 45.932 37.612 1.00 0.00 H ATOM 1938 HB3 ARG B 31 54.685 45.498 35.915 1.00 0.00 H ATOM 1939 HG2 ARG B 31 52.520 44.398 36.800 1.00 0.00 H ATOM 1940 HG3 ARG B 31 52.816 45.338 38.281 1.00 0.00 H ATOM 1941 HD2 ARG B 31 52.800 47.437 37.031 1.00 0.00 H ATOM 1942 HD3 ARG B 31 51.343 46.526 36.568 1.00 0.00 H ATOM 1943 HE ARG B 31 52.402 45.915 34.455 1.00 0.00 H ATOM 1944 HH12 ARG B 31 55.171 48.848 35.147 1.00 0.00 H ATOM 1945 HH11 ARG B 31 54.151 48.230 36.496 1.00 0.00 H ATOM 1946 HH22 ARG B 31 54.889 47.924 32.994 1.00 0.00 H ATOM 1947 HH21 ARG B 31 53.663 46.626 32.752 1.00 0.00 H ATOM 1948 H ARG B 31 55.449 44.516 39.181 1.00 0.00 H ATOM 1949 N VAL B 32 57.154 44.549 36.028 1.00 53.46 N ATOM 1950 CA VAL B 32 58.118 44.491 34.959 1.00 53.90 C ATOM 1951 C VAL B 32 58.823 43.161 34.929 1.00 55.71 C ATOM 1952 O VAL B 32 58.920 42.480 33.878 1.00 56.05 O ATOM 1953 CB VAL B 32 59.046 45.695 35.002 1.00 55.19 C ATOM 1954 CG1 VAL B 32 60.200 45.580 34.032 1.00 57.99 C ATOM 1955 CG2 VAL B 32 58.196 46.917 34.646 1.00 59.80 C ATOM 1956 HA VAL B 32 57.597 44.556 34.004 1.00 0.00 H ATOM 1957 HB VAL B 32 59.489 45.771 35.995 1.00 0.00 H ATOM 1958 HG11 VAL B 32 60.789 44.696 34.274 1.00 0.00 H ATOM 1959 HG12 VAL B 32 59.812 45.494 33.017 1.00 0.00 H ATOM 1960 HG13 VAL B 32 60.827 46.468 34.108 1.00 0.00 H ATOM 1961 HG21 VAL B 32 57.774 46.787 33.649 1.00 0.00 H ATOM 1962 HG22 VAL B 32 57.390 47.021 35.372 1.00 0.00 H ATOM 1963 HG23 VAL B 32 58.821 47.810 34.664 1.00 0.00 H ATOM 1964 H VAL B 32 57.250 45.254 36.787 1.00 0.00 H ATOM 1965 N LEU B 33 59.251 42.716 36.110 1.00 54.61 N ATOM 1966 CA LEU B 33 59.966 41.488 36.354 1.00 50.05 C ATOM 1967 C LEU B 33 59.154 40.358 35.707 1.00 50.33 C ATOM 1968 O LEU B 33 59.623 39.534 34.937 1.00 50.39 O ATOM 1969 CB LEU B 33 60.003 41.295 37.863 1.00 51.48 C ATOM 1970 CG LEU B 33 60.497 40.077 38.611 1.00 48.80 C ATOM 1971 CD1 LEU B 33 60.288 38.758 37.937 1.00 31.80 C ATOM 1972 CD2 LEU B 33 61.982 40.258 38.983 1.00 50.12 C ATOM 1973 HA LEU B 33 60.978 41.500 35.949 1.00 0.00 H ATOM 1974 HB2 LEU B 33 60.609 42.120 38.238 1.00 0.00 H ATOM 1975 HB3 LEU B 33 58.971 41.426 38.189 1.00 0.00 H ATOM 1976 HG LEU B 33 59.869 40.025 39.500 1.00 0.00 H ATOM 1977 HD21 LEU B 33 62.570 40.386 38.074 1.00 0.00 H ATOM 1978 HD22 LEU B 33 62.092 41.139 39.616 1.00 0.00 H ATOM 1979 HD23 LEU B 33 62.330 39.377 39.521 1.00 0.00 H ATOM 1980 HD11 LEU B 33 59.222 38.600 37.774 1.00 0.00 H ATOM 1981 HD12 LEU B 33 60.808 38.755 36.979 1.00 0.00 H ATOM 1982 HD13 LEU B 33 60.682 37.962 38.569 1.00 0.00 H ATOM 1983 H LEU B 33 59.049 43.313 36.937 1.00 0.00 H ATOM 1984 N MET B 34 57.902 40.352 36.089 1.00 49.99 N ATOM 1985 CA MET B 34 56.914 39.402 35.687 1.00 55.13 C ATOM 1986 C MET B 34 56.598 39.478 34.197 1.00 57.74 C ATOM 1987 O MET B 34 56.167 38.500 33.598 1.00 58.06 O ATOM 1988 CB MET B 34 55.629 39.683 36.494 1.00 59.11 C ATOM 1989 CG MET B 34 55.886 39.366 38.006 1.00 58.45 C ATOM 1990 SD MET B 34 55.059 37.811 38.341 1.00 59.98 S ATOM 1991 CE MET B 34 53.452 38.431 38.814 1.00 63.89 C ATOM 1992 HA MET B 34 57.302 38.402 35.879 1.00 0.00 H ATOM 1993 HB2 MET B 34 55.352 40.731 36.384 1.00 0.00 H ATOM 1994 HB3 MET B 34 54.821 39.054 36.122 1.00 0.00 H ATOM 1995 HG2 MET B 34 55.473 40.156 38.633 1.00 0.00 H ATOM 1996 HG3 MET B 34 56.955 39.274 38.196 1.00 0.00 H ATOM 1997 HE1 MET B 34 53.556 39.080 39.684 1.00 0.00 H ATOM 1998 HE2 MET B 34 53.024 38.997 37.986 1.00 0.00 H ATOM 1999 HE3 MET B 34 52.799 37.594 39.060 1.00 0.00 H ATOM 2000 H MET B 34 57.601 41.104 36.741 1.00 0.00 H ATOM 2001 N GLU B 35 56.795 40.672 33.654 1.00 58.23 N ATOM 2002 CA GLU B 35 56.520 40.891 32.248 1.00 59.62 C ATOM 2003 C GLU B 35 57.666 40.313 31.443 1.00 57.19 C ATOM 2004 O GLU B 35 57.444 39.444 30.609 1.00 60.07 O ATOM 2005 CB GLU B 35 56.324 42.397 32.015 1.00 63.79 C ATOM 2006 CG GLU B 35 54.863 42.789 32.245 1.00 65.57 C ATOM 2007 CD GLU B 35 54.686 44.292 32.234 1.00 65.93 C ATOM 2008 OE1 GLU B 35 55.706 45.014 32.208 1.00 69.54 O ATOM 2009 OE2 GLU B 35 53.524 44.728 32.253 1.00 66.63 O ATOM 2010 HA GLU B 35 55.606 40.391 31.927 1.00 0.00 H ATOM 2011 HB2 GLU B 35 56.958 42.953 32.706 1.00 0.00 H ATOM 2012 HB3 GLU B 35 56.604 42.641 30.990 1.00 0.00 H ATOM 2013 HG2 GLU B 35 54.250 42.354 31.456 1.00 0.00 H ATOM 2014 HG3 GLU B 35 54.539 42.401 33.211 1.00 0.00 H ATOM 2015 H GLU B 35 57.149 41.455 34.240 1.00 0.00 H ATOM 2016 N LYS B 36 58.880 40.765 31.725 1.00 52.83 N ATOM 2017 CA LYS B 36 60.022 40.260 31.022 1.00 49.67 C ATOM 2018 C LYS B 36 60.454 38.854 31.376 1.00 50.22 C ATOM 2019 O LYS B 36 61.147 38.283 30.520 1.00 48.68 O ATOM 2020 CB LYS B 36 61.155 41.260 31.164 1.00 53.76 C ATOM 2021 CG LYS B 36 60.811 42.643 30.596 1.00 59.82 C ATOM 2022 CD LYS B 36 62.085 43.307 30.091 1.00 64.96 C ATOM 2023 CE LYS B 36 61.995 44.831 30.153 1.00 70.20 C ATOM 2024 NZ LYS B 36 62.549 45.473 28.907 1.00 70.46 N ATOM 2025 HA LYS B 36 59.722 40.156 29.979 1.00 0.00 H ATOM 2026 HB2 LYS B 36 61.392 41.368 32.222 1.00 0.00 H ATOM 2027 HB3 LYS B 36 62.027 40.874 30.635 1.00 0.00 H ATOM 2028 HG2 LYS B 36 60.105 42.534 29.773 1.00 0.00 H ATOM 2029 HG3 LYS B 36 60.364 43.258 31.377 1.00 0.00 H ATOM 2030 HD2 LYS B 36 62.922 42.978 30.706 1.00 0.00 H ATOM 2031 HD3 LYS B 36 62.254 43.005 29.057 1.00 0.00 H ATOM 2032 HE2 LYS B 36 62.562 45.184 31.015 1.00 0.00 H ATOM 2033 HE3 LYS B 36 60.950 45.119 30.264 1.00 0.00 H ATOM 2034 HZ1 LYS B 36 63.549 45.208 28.797 1.00 0.00 H ATOM 2035 HZ2 LYS B 36 62.009 45.146 28.081 1.00 0.00 H ATOM 2036 HZ3 LYS B 36 62.470 46.507 28.987 1.00 0.00 H ATOM 2037 H LYS B 36 59.004 41.490 32.460 1.00 0.00 H ATOM 2038 N GLU B 37 60.082 38.242 32.523 1.00 49.14 N ATOM 2039 CA GLU B 37 60.571 36.911 32.828 1.00 50.69 C ATOM 2040 C GLU B 37 59.583 35.775 32.714 1.00 50.56 C ATOM 2041 O GLU B 37 59.972 34.615 32.598 1.00 48.94 O ATOM 2042 CB GLU B 37 61.239 36.855 34.227 1.00 48.11 C ATOM 2043 CG GLU B 37 62.493 37.735 34.226 1.00 47.29 C ATOM 2044 CD GLU B 37 63.621 37.016 33.519 1.00 45.70 C ATOM 2045 OE1 GLU B 37 63.486 35.785 33.372 1.00 53.79 O ATOM 2046 OE2 GLU B 37 64.635 37.580 33.111 1.00 48.98 O ATOM 2047 HA GLU B 37 61.296 36.744 32.032 1.00 0.00 H ATOM 2048 HB2 GLU B 37 60.539 37.219 34.980 1.00 0.00 H ATOM 2049 HB3 GLU B 37 61.516 35.826 34.457 1.00 0.00 H ATOM 2050 HG2 GLU B 37 62.279 38.670 33.709 1.00 0.00 H ATOM 2051 HG3 GLU B 37 62.787 37.948 35.254 1.00 0.00 H ATOM 2052 H GLU B 37 59.445 38.726 33.187 1.00 0.00 H ATOM 2053 N PHE B 38 58.316 36.123 32.715 1.00 51.07 N ATOM 2054 CA PHE B 38 57.210 35.207 32.573 1.00 54.91 C ATOM 2055 C PHE B 38 56.156 35.768 31.594 1.00 56.70 C ATOM 2056 O PHE B 38 54.951 35.864 31.892 1.00 55.18 O ATOM 2057 CB PHE B 38 56.616 34.970 33.951 1.00 58.52 C ATOM 2058 CG PHE B 38 57.477 34.463 35.069 1.00 60.60 C ATOM 2059 CD1 PHE B 38 57.952 33.147 35.066 1.00 62.11 C ATOM 2060 CD2 PHE B 38 57.831 35.282 36.121 1.00 57.39 C ATOM 2061 CE1 PHE B 38 58.735 32.669 36.098 1.00 61.42 C ATOM 2062 CE2 PHE B 38 58.601 34.810 37.166 1.00 59.66 C ATOM 2063 CZ PHE B 38 59.048 33.501 37.157 1.00 60.17 C ATOM 2064 HA PHE B 38 57.555 34.261 32.156 1.00 0.00 H ATOM 2065 HB2 PHE B 38 56.201 35.922 34.282 1.00 0.00 H ATOM 2066 HB3 PHE B 38 55.809 34.248 33.825 1.00 0.00 H ATOM 2067 HD2 PHE B 38 57.497 36.320 36.128 1.00 0.00 H ATOM 2068 HE2 PHE B 38 58.856 35.468 37.997 1.00 0.00 H ATOM 2069 HZ PHE B 38 59.648 33.125 37.986 1.00 0.00 H ATOM 2070 HE1 PHE B 38 59.104 31.643 36.078 1.00 0.00 H ATOM 2071 HD1 PHE B 38 57.700 32.488 34.235 1.00 0.00 H ATOM 2072 H PHE B 38 58.094 37.133 32.826 1.00 0.00 H ATOM 2073 N PRO B 39 56.553 36.096 30.375 1.00 59.70 N ATOM 2074 CA PRO B 39 55.690 36.687 29.363 1.00 62.65 C ATOM 2075 C PRO B 39 54.370 36.032 29.129 1.00 63.26 C ATOM 2076 O PRO B 39 53.325 36.698 29.142 1.00 61.38 O ATOM 2077 CB PRO B 39 56.511 36.751 28.097 1.00 63.58 C ATOM 2078 CG PRO B 39 57.822 36.135 28.369 1.00 63.63 C ATOM 2079 CD PRO B 39 57.938 35.991 29.855 1.00 62.06 C ATOM 2080 HA PRO B 39 55.383 37.667 29.729 1.00 0.00 H ATOM 2081 HD3 PRO B 39 58.369 35.023 30.111 1.00 0.00 H ATOM 2082 HD2 PRO B 39 58.561 36.785 30.267 1.00 0.00 H ATOM 2083 HG3 PRO B 39 58.621 36.772 27.991 1.00 0.00 H ATOM 2084 HG2 PRO B 39 57.883 35.157 27.892 1.00 0.00 H ATOM 2085 HB2 PRO B 39 56.005 36.206 27.300 1.00 0.00 H ATOM 2086 HB3 PRO B 39 56.646 37.790 27.796 1.00 0.00 H ATOM 2087 N GLY B 40 54.337 34.703 28.981 1.00 66.75 N ATOM 2088 CA GLY B 40 53.008 34.095 28.735 1.00 70.93 C ATOM 2089 C GLY B 40 52.146 33.909 29.954 1.00 72.08 C ATOM 2090 O GLY B 40 51.229 33.058 29.898 1.00 74.65 O ATOM 2091 HA3 GLY B 40 53.165 33.116 28.281 1.00 0.00 H ATOM 2092 HA2 GLY B 40 52.469 34.736 28.037 1.00 0.00 H ATOM 2093 H GLY B 40 55.200 34.126 29.036 1.00 0.00 H ATOM 2094 N PHE B 41 52.302 34.713 31.029 1.00 70.36 N ATOM 2095 CA PHE B 41 51.477 34.428 32.214 1.00 67.77 C ATOM 2096 C PHE B 41 50.584 35.514 32.725 1.00 67.15 C ATOM 2097 O PHE B 41 49.434 35.232 33.140 1.00 64.91 O ATOM 2098 CB PHE B 41 52.467 33.916 33.291 1.00 61.15 C ATOM 2099 CG PHE B 41 51.922 33.742 34.662 1.00 54.12 C ATOM 2100 CD1 PHE B 41 51.366 32.543 35.055 1.00 54.89 C ATOM 2101 CD2 PHE B 41 51.964 34.783 35.570 1.00 54.17 C ATOM 2102 CE1 PHE B 41 50.849 32.371 36.334 1.00 53.31 C ATOM 2103 CE2 PHE B 41 51.442 34.616 36.845 1.00 55.30 C ATOM 2104 CZ PHE B 41 50.887 33.408 37.206 1.00 52.86 C ATOM 2105 HA PHE B 41 50.726 33.693 31.925 1.00 0.00 H ATOM 2106 HB2 PHE B 41 52.846 32.949 32.960 1.00 0.00 H ATOM 2107 HB3 PHE B 41 53.291 34.628 33.349 1.00 0.00 H ATOM 2108 HD2 PHE B 41 52.408 35.737 35.284 1.00 0.00 H ATOM 2109 HE2 PHE B 41 51.471 35.439 37.559 1.00 0.00 H ATOM 2110 HZ PHE B 41 50.473 33.284 38.207 1.00 0.00 H ATOM 2111 HE1 PHE B 41 50.419 31.415 36.632 1.00 0.00 H ATOM 2112 HD1 PHE B 41 51.331 31.713 34.349 1.00 0.00 H ATOM 2113 H PHE B 41 52.979 35.503 31.019 1.00 0.00 H ATOM 2114 N LEU B 42 50.995 36.766 32.783 1.00 69.22 N ATOM 2115 CA LEU B 42 50.069 37.761 33.315 1.00 74.23 C ATOM 2116 C LEU B 42 48.993 38.114 32.290 1.00 76.81 C ATOM 2117 O LEU B 42 47.798 38.187 32.608 1.00 74.42 O ATOM 2118 CB LEU B 42 50.795 38.948 33.913 1.00 75.36 C ATOM 2119 CG LEU B 42 50.636 39.080 35.444 1.00 77.65 C ATOM 2120 CD1 LEU B 42 50.295 37.752 36.105 1.00 77.30 C ATOM 2121 CD2 LEU B 42 51.915 39.664 36.025 1.00 77.03 C ATOM 2122 HA LEU B 42 49.532 37.323 34.156 1.00 0.00 H ATOM 2123 HB2 LEU B 42 51.857 38.850 33.686 1.00 0.00 H ATOM 2124 HB3 LEU B 42 50.408 39.855 33.449 1.00 0.00 H ATOM 2125 HG LEU B 42 49.799 39.748 35.647 1.00 0.00 H ATOM 2126 HD21 LEU B 42 52.751 39.003 35.797 1.00 0.00 H ATOM 2127 HD22 LEU B 42 52.096 40.646 35.587 1.00 0.00 H ATOM 2128 HD23 LEU B 42 51.811 39.760 37.106 1.00 0.00 H ATOM 2129 HD11 LEU B 42 49.356 37.376 35.698 1.00 0.00 H ATOM 2130 HD12 LEU B 42 51.091 37.034 35.908 1.00 0.00 H ATOM 2131 HD13 LEU B 42 50.194 37.898 37.180 1.00 0.00 H ATOM 2132 H LEU B 42 51.946 37.035 32.461 1.00 0.00 H ATOM 2133 N GLU B 43 49.460 38.246 31.053 1.00 79.48 N ATOM 2134 CA GLU B 43 48.651 38.545 29.880 1.00 81.74 C ATOM 2135 C GLU B 43 47.676 37.399 29.640 1.00 83.20 C ATOM 2136 O GLU B 43 46.482 37.678 29.476 1.00 83.38 O ATOM 2137 CB GLU B 43 49.529 38.815 28.667 1.00 80.98 C ATOM 2138 CG GLU B 43 50.555 39.916 28.886 1.00 80.80 C ATOM 2139 CD GLU B 43 51.840 39.520 29.578 1.00 77.97 C ATOM 2140 OE1 GLU B 43 51.873 38.600 30.407 1.00 74.39 O ATOM 2141 OE2 GLU B 43 52.886 40.161 29.303 1.00 77.52 O ATOM 2142 HA GLU B 43 48.076 39.455 30.054 1.00 0.00 H ATOM 2143 HB2 GLU B 43 50.059 37.896 28.414 1.00 0.00 H ATOM 2144 HB3 GLU B 43 48.887 39.104 27.835 1.00 0.00 H ATOM 2145 HG2 GLU B 43 50.817 40.322 27.909 1.00 0.00 H ATOM 2146 HG3 GLU B 43 50.082 40.693 29.486 1.00 0.00 H ATOM 2147 H GLU B 43 50.483 38.126 30.912 1.00 0.00 H ATOM 2148 N ASN B 44 48.130 36.148 29.797 1.00 83.81 N ATOM 2149 CA ASN B 44 47.196 35.031 29.678 1.00 86.00 C ATOM 2150 C ASN B 44 46.352 34.957 30.921 1.00 89.44 C ATOM 2151 O ASN B 44 45.283 34.364 30.910 1.00 90.52 O ATOM 2152 CB ASN B 44 47.833 33.726 29.283 1.00 87.02 C ATOM 2153 CG ASN B 44 47.991 33.607 27.774 1.00 88.15 C ATOM 2154 OD1 ASN B 44 49.058 33.818 27.199 1.00 87.34 O ATOM 2155 ND2 ASN B 44 46.889 33.283 27.094 1.00 90.90 N ATOM 2156 HA ASN B 44 46.538 35.230 28.832 1.00 0.00 H ATOM 2157 HB2 ASN B 44 48.817 33.659 29.747 1.00 0.00 H ATOM 2158 HB3 ASN B 44 47.208 32.906 29.638 1.00 0.00 H ATOM 2159 HD22 ASN B 44 45.998 33.109 27.601 1.00 0.00 H ATOM 2160 HD21 ASN B 44 46.922 33.205 26.057 1.00 0.00 H ATOM 2161 H ASN B 44 49.135 35.974 30.001 1.00 0.00 H ATOM 2162 N GLN B 45 46.789 35.540 32.048 1.00 93.84 N ATOM 2163 CA GLN B 45 45.839 35.528 33.207 1.00 97.08 C ATOM 2164 C GLN B 45 44.829 36.544 32.653 1.00 99.39 C ATOM 2165 O GLN B 45 45.283 37.511 31.983 1.00100.31 O ATOM 2166 CB GLN B 45 46.470 35.855 34.519 1.00 98.86 C ATOM 2167 CG GLN B 45 47.276 34.769 35.208 1.00 99.64 C ATOM 2168 CD GLN B 45 46.492 33.629 35.809 1.00101.32 C ATOM 2169 OE1 GLN B 45 46.351 32.539 35.238 1.00100.12 O ATOM 2170 NE2 GLN B 45 45.946 33.801 37.018 1.00100.64 N ATOM 2171 HA GLN B 45 45.407 34.566 33.483 1.00 0.00 H ATOM 2172 HB2 GLN B 45 47.137 36.702 34.357 1.00 0.00 H ATOM 2173 HB3 GLN B 45 45.671 36.149 35.200 1.00 0.00 H ATOM 2174 HG2 GLN B 45 47.962 34.348 34.473 1.00 0.00 H ATOM 2175 HG3 GLN B 45 47.847 35.238 36.010 1.00 0.00 H ATOM 2176 HE22 GLN B 45 46.054 34.709 37.513 1.00 0.00 H ATOM 2177 HE21 GLN B 45 45.414 33.026 37.463 1.00 0.00 H ATOM 2178 H GLN B 45 47.732 35.975 32.113 1.00 0.00 H ATOM 2179 N LYS B 46 43.528 36.340 32.757 1.00100.30 N ATOM 2180 CA LYS B 46 42.662 37.311 32.069 1.00100.94 C ATOM 2181 C LYS B 46 42.541 38.649 32.727 1.00100.85 C ATOM 2182 O LYS B 46 42.480 39.701 32.059 1.00102.48 O ATOM 2183 CB LYS B 46 41.342 36.606 31.753 1.00103.57 C ATOM 2184 CG LYS B 46 41.337 35.985 30.351 1.00104.73 C ATOM 2185 CD LYS B 46 42.437 34.958 30.168 1.00105.69 C ATOM 2186 CE LYS B 46 43.216 35.152 28.871 1.00106.25 C ATOM 2187 NZ LYS B 46 43.545 33.827 28.246 1.00105.85 N ATOM 2188 HA LYS B 46 43.136 37.613 31.135 1.00 0.00 H ATOM 2189 HB2 LYS B 46 41.181 35.817 32.487 1.00 0.00 H ATOM 2190 HB3 LYS B 46 40.532 37.332 31.818 1.00 0.00 H ATOM 2191 HG2 LYS B 46 40.375 35.500 30.186 1.00 0.00 H ATOM 2192 HG3 LYS B 46 41.473 36.778 29.616 1.00 0.00 H ATOM 2193 HD2 LYS B 46 43.130 35.036 31.006 1.00 0.00 H ATOM 2194 HD3 LYS B 46 41.989 33.964 30.160 1.00 0.00 H ATOM 2195 HE2 LYS B 46 44.141 35.686 29.086 1.00 0.00 H ATOM 2196 HE3 LYS B 46 42.614 35.736 28.175 1.00 0.00 H ATOM 2197 HZ1 LYS B 46 44.123 33.268 28.905 1.00 0.00 H ATOM 2198 HZ2 LYS B 46 42.664 33.316 28.036 1.00 0.00 H ATOM 2199 HZ3 LYS B 46 44.075 33.983 27.365 1.00 0.00 H ATOM 2200 H LYS B 46 43.138 35.539 33.294 1.00 0.00 H ATOM 2201 N ASP B 47 42.540 38.675 34.033 1.00 99.49 N ATOM 2202 CA ASP B 47 42.360 39.774 34.968 1.00 95.78 C ATOM 2203 C ASP B 47 43.370 40.890 34.935 1.00 92.95 C ATOM 2204 O ASP B 47 44.570 40.706 34.753 1.00 94.04 O ATOM 2205 CB ASP B 47 42.300 39.060 36.332 1.00 92.89 C ATOM 2206 CG ASP B 47 42.481 39.856 37.575 1.00 91.72 C ATOM 2207 OD1 ASP B 47 42.645 41.084 37.501 1.00 89.73 O ATOM 2208 OD2 ASP B 47 42.455 39.245 38.684 1.00 89.46 O ATOM 2209 HA ASP B 47 41.466 40.340 34.707 1.00 0.00 H ATOM 2210 HB2 ASP B 47 41.323 38.582 36.399 1.00 0.00 H ATOM 2211 HB3 ASP B 47 43.077 38.296 36.327 1.00 0.00 H ATOM 2212 H ASP B 47 42.695 37.750 34.482 1.00 0.00 H ATOM 2213 N PRO B 48 42.934 42.124 35.157 1.00 91.19 N ATOM 2214 CA PRO B 48 43.798 43.301 35.158 1.00 90.03 C ATOM 2215 C PRO B 48 44.440 43.616 36.508 1.00 87.60 C ATOM 2216 O PRO B 48 45.347 44.443 36.642 1.00 86.85 O ATOM 2217 CB PRO B 48 42.813 44.423 34.804 1.00 89.38 C ATOM 2218 CG PRO B 48 41.555 44.003 35.490 1.00 89.60 C ATOM 2219 CD PRO B 48 41.510 42.500 35.374 1.00 90.54 C ATOM 2220 HA PRO B 48 44.642 43.165 34.481 1.00 0.00 H ATOM 2221 HD3 PRO B 48 41.123 42.050 36.288 1.00 0.00 H ATOM 2222 HD2 PRO B 48 40.893 42.193 34.530 1.00 0.00 H ATOM 2223 HG3 PRO B 48 40.688 44.448 35.002 1.00 0.00 H ATOM 2224 HG2 PRO B 48 41.574 44.303 36.538 1.00 0.00 H ATOM 2225 HB2 PRO B 48 43.162 45.384 35.182 1.00 0.00 H ATOM 2226 HB3 PRO B 48 42.667 44.489 33.726 1.00 0.00 H ATOM 2227 N LEU B 49 43.946 42.961 37.546 1.00 84.75 N ATOM 2228 CA LEU B 49 44.421 43.107 38.906 1.00 83.14 C ATOM 2229 C LEU B 49 45.443 42.025 39.288 1.00 79.91 C ATOM 2230 O LEU B 49 45.714 41.788 40.457 1.00 79.42 O ATOM 2231 CB LEU B 49 43.231 43.035 39.882 1.00 83.67 C ATOM 2232 CG LEU B 49 42.509 44.360 40.148 1.00 84.21 C ATOM 2233 CD1 LEU B 49 41.661 44.242 41.405 1.00 80.51 C ATOM 2234 CD2 LEU B 49 43.494 45.529 40.252 1.00 82.93 C ATOM 2235 HA LEU B 49 44.916 44.076 38.971 1.00 0.00 H ATOM 2236 HB2 LEU B 49 42.504 42.333 39.473 1.00 0.00 H ATOM 2237 HB3 LEU B 49 43.602 42.658 40.835 1.00 0.00 H ATOM 2238 HG LEU B 49 41.855 44.571 39.302 1.00 0.00 H ATOM 2239 HD21 LEU B 49 44.189 45.345 41.071 1.00 0.00 H ATOM 2240 HD22 LEU B 49 44.048 45.620 39.318 1.00 0.00 H ATOM 2241 HD23 LEU B 49 42.943 46.451 40.441 1.00 0.00 H ATOM 2242 HD11 LEU B 49 40.924 43.450 41.272 1.00 0.00 H ATOM 2243 HD12 LEU B 49 42.302 44.004 42.253 1.00 0.00 H ATOM 2244 HD13 LEU B 49 41.151 45.188 41.588 1.00 0.00 H ATOM 2245 H LEU B 49 43.164 42.297 37.374 1.00 0.00 H ATOM 2246 N ALA B 50 45.994 41.380 38.282 1.00 76.72 N ATOM 2247 CA ALA B 50 46.963 40.323 38.327 1.00 73.10 C ATOM 2248 C ALA B 50 48.079 40.544 39.353 1.00 69.00 C ATOM 2249 O ALA B 50 48.160 39.836 40.329 1.00 63.92 O ATOM 2250 CB ALA B 50 47.591 40.202 36.925 1.00 74.82 C ATOM 2251 HA ALA B 50 46.442 39.416 38.634 1.00 0.00 H ATOM 2252 HB1 ALA B 50 46.812 39.972 36.198 1.00 0.00 H ATOM 2253 HB2 ALA B 50 48.070 41.145 36.660 1.00 0.00 H ATOM 2254 HB3 ALA B 50 48.334 39.404 36.929 1.00 0.00 H ATOM 2255 H ALA B 50 45.688 41.674 37.333 1.00 0.00 H ATOM 2256 N VAL B 51 48.909 41.536 39.114 1.00 69.02 N ATOM 2257 CA VAL B 51 50.041 41.858 39.944 1.00 71.71 C ATOM 2258 C VAL B 51 49.639 42.250 41.346 1.00 74.57 C ATOM 2259 O VAL B 51 50.096 41.614 42.308 1.00 74.94 O ATOM 2260 CB VAL B 51 50.930 42.938 39.327 1.00 70.78 C ATOM 2261 CG1 VAL B 51 52.294 42.895 40.022 1.00 74.78 C ATOM 2262 CG2 VAL B 51 51.115 42.621 37.857 1.00 71.95 C ATOM 2263 HA VAL B 51 50.624 40.939 40.008 1.00 0.00 H ATOM 2264 HB VAL B 51 50.480 43.924 39.445 1.00 0.00 H ATOM 2265 HG11 VAL B 51 52.163 43.082 41.088 1.00 0.00 H ATOM 2266 HG12 VAL B 51 52.744 41.913 39.877 1.00 0.00 H ATOM 2267 HG13 VAL B 51 52.943 43.660 39.594 1.00 0.00 H ATOM 2268 HG21 VAL B 51 51.587 41.644 37.754 1.00 0.00 H ATOM 2269 HG22 VAL B 51 50.143 42.610 37.364 1.00 0.00 H ATOM 2270 HG23 VAL B 51 51.747 43.382 37.399 1.00 0.00 H ATOM 2271 H VAL B 51 48.737 42.124 38.274 1.00 0.00 H ATOM 2272 N ASP B 52 48.710 43.199 41.493 1.00 75.58 N ATOM 2273 CA ASP B 52 48.216 43.587 42.801 1.00 76.23 C ATOM 2274 C ASP B 52 47.920 42.350 43.657 1.00 75.49 C ATOM 2275 O ASP B 52 48.364 42.352 44.819 1.00 76.57 O ATOM 2276 CB ASP B 52 46.918 44.420 42.723 1.00 76.69 C ATOM 2277 CG ASP B 52 47.045 45.423 41.590 1.00 81.80 C ATOM 2278 OD1 ASP B 52 46.725 44.989 40.452 1.00 84.11 O ATOM 2279 OD2 ASP B 52 47.532 46.549 41.846 1.00 81.76 O ATOM 2280 HA ASP B 52 49.003 44.194 43.248 1.00 0.00 H ATOM 2281 HB2 ASP B 52 46.070 43.761 42.535 1.00 0.00 H ATOM 2282 HB3 ASP B 52 46.765 44.948 43.664 1.00 0.00 H ATOM 2283 H ASP B 52 48.331 43.672 40.648 1.00 0.00 H ATOM 2284 N LYS B 53 47.199 41.379 43.112 1.00 72.71 N ATOM 2285 CA LYS B 53 46.857 40.199 43.894 1.00 73.53 C ATOM 2286 C LYS B 53 48.088 39.350 44.232 1.00 72.46 C ATOM 2287 O LYS B 53 48.187 38.673 45.271 1.00 71.17 O ATOM 2288 CB LYS B 53 45.796 39.362 43.172 1.00 76.98 C ATOM 2289 CG LYS B 53 44.558 40.152 42.745 1.00 79.88 C ATOM 2290 CD LYS B 53 43.291 39.388 43.120 1.00 82.61 C ATOM 2291 CE LYS B 53 42.038 39.878 42.431 1.00 83.07 C ATOM 2292 NZ LYS B 53 42.225 40.263 41.003 1.00 82.49 N ATOM 2293 HA LYS B 53 46.442 40.547 44.840 1.00 0.00 H ATOM 2294 HB2 LYS B 53 46.250 38.929 42.281 1.00 0.00 H ATOM 2295 HB3 LYS B 53 45.478 38.562 43.841 1.00 0.00 H ATOM 2296 HG2 LYS B 53 44.557 41.120 43.247 1.00 0.00 H ATOM 2297 HG3 LYS B 53 44.582 40.304 41.666 1.00 0.00 H ATOM 2298 HD2 LYS B 53 43.435 38.339 42.860 1.00 0.00 H ATOM 2299 HD3 LYS B 53 43.145 39.477 44.197 1.00 0.00 H ATOM 2300 HE2 LYS B 53 41.670 40.749 42.973 1.00 0.00 H ATOM 2301 HE3 LYS B 53 41.293 39.084 42.474 1.00 0.00 H ATOM 2302 HZ1 LYS B 53 42.924 41.031 40.941 1.00 0.00 H ATOM 2303 HZ2 LYS B 53 42.564 39.440 40.465 1.00 0.00 H ATOM 2304 HZ3 LYS B 53 41.318 40.586 40.611 1.00 0.00 H ATOM 2305 H LYS B 53 46.878 41.460 42.126 1.00 0.00 H ATOM 2306 N ILE B 54 49.096 39.365 43.341 1.00 69.52 N ATOM 2307 CA ILE B 54 50.291 38.569 43.681 1.00 68.17 C ATOM 2308 C ILE B 54 50.883 39.147 44.978 1.00 68.74 C ATOM 2309 O ILE B 54 50.891 38.551 46.049 1.00 67.26 O ATOM 2310 CB ILE B 54 51.215 38.499 42.473 1.00 62.32 C ATOM 2311 CG1 ILE B 54 50.951 37.126 41.793 1.00 60.55 C ATOM 2312 CG2 ILE B 54 52.686 38.703 42.767 1.00 54.98 C ATOM 2313 CD1 ILE B 54 50.964 37.231 40.286 1.00 59.62 C ATOM 2314 HA ILE B 54 50.072 37.524 43.898 1.00 0.00 H ATOM 2315 HB ILE B 54 50.982 39.337 41.816 1.00 0.00 H ATOM 2316 HG12 ILE B 54 51.725 36.424 42.104 1.00 0.00 H ATOM 2317 HG13 ILE B 54 49.977 36.756 42.112 1.00 0.00 H ATOM 2318 HD11 ILE B 54 50.188 37.926 39.965 1.00 0.00 H ATOM 2319 HD12 ILE B 54 51.938 37.594 39.957 1.00 0.00 H ATOM 2320 HD13 ILE B 54 50.775 36.249 39.853 1.00 0.00 H ATOM 2321 HG21 ILE B 54 52.833 39.687 43.212 1.00 0.00 H ATOM 2322 HG22 ILE B 54 53.026 37.935 43.461 1.00 0.00 H ATOM 2323 HG23 ILE B 54 53.254 38.634 41.839 1.00 0.00 H ATOM 2324 H ILE B 54 49.036 39.910 42.457 1.00 0.00 H ATOM 2325 N MET B 55 51.210 40.419 44.928 1.00 67.43 N ATOM 2326 CA MET B 55 51.735 41.287 45.918 1.00 68.23 C ATOM 2327 C MET B 55 50.928 41.320 47.211 1.00 71.48 C ATOM 2328 O MET B 55 51.395 41.556 48.326 1.00 71.02 O ATOM 2329 CB MET B 55 51.671 42.710 45.336 1.00 61.67 C ATOM 2330 CG MET B 55 52.314 43.723 46.221 1.00 57.55 C ATOM 2331 SD MET B 55 54.024 43.963 45.776 1.00 63.61 S ATOM 2332 CE MET B 55 54.505 45.052 47.142 1.00 66.02 C ATOM 2333 HA MET B 55 52.736 40.932 46.161 1.00 0.00 H ATOM 2334 HB2 MET B 55 52.179 42.716 44.372 1.00 0.00 H ATOM 2335 HB3 MET B 55 50.625 42.983 45.196 1.00 0.00 H ATOM 2336 HG2 MET B 55 52.258 43.381 47.254 1.00 0.00 H ATOM 2337 HG3 MET B 55 51.783 44.670 46.124 1.00 0.00 H ATOM 2338 HE1 MET B 55 53.897 45.956 47.116 1.00 0.00 H ATOM 2339 HE2 MET B 55 54.349 44.535 48.089 1.00 0.00 H ATOM 2340 HE3 MET B 55 55.557 45.317 47.040 1.00 0.00 H ATOM 2341 H MET B 55 51.057 40.866 44.002 1.00 0.00 H ATOM 2342 N LYS B 56 49.611 41.123 47.062 1.00 73.65 N ATOM 2343 CA LYS B 56 48.811 41.115 48.297 1.00 74.82 C ATOM 2344 C LYS B 56 49.533 40.112 49.203 1.00 75.01 C ATOM 2345 O LYS B 56 50.111 40.477 50.207 1.00 75.58 O ATOM 2346 CB LYS B 56 47.389 40.678 47.978 1.00 75.27 C ATOM 2347 CG LYS B 56 46.317 41.211 48.901 1.00 74.90 C ATOM 2348 CD LYS B 56 45.043 40.401 48.723 1.00 78.45 C ATOM 2349 CE LYS B 56 45.092 39.066 49.444 1.00 79.15 C ATOM 2350 NZ LYS B 56 44.727 39.205 50.894 1.00 79.43 N ATOM 2351 HA LYS B 56 48.727 42.091 48.774 1.00 0.00 H ATOM 2352 HB2 LYS B 56 47.155 41.010 46.966 1.00 0.00 H ATOM 2353 HB3 LYS B 56 47.356 39.589 48.019 1.00 0.00 H ATOM 2354 HG2 LYS B 56 46.656 41.133 49.934 1.00 0.00 H ATOM 2355 HG3 LYS B 56 46.119 42.256 48.663 1.00 0.00 H ATOM 2356 HD2 LYS B 56 44.205 40.978 49.114 1.00 0.00 H ATOM 2357 HD3 LYS B 56 44.892 40.218 47.659 1.00 0.00 H ATOM 2358 HE2 LYS B 56 46.101 38.661 49.371 1.00 0.00 H ATOM 2359 HE3 LYS B 56 44.391 38.381 48.967 1.00 0.00 H ATOM 2360 HZ1 LYS B 56 45.395 39.853 51.358 1.00 0.00 H ATOM 2361 HZ2 LYS B 56 43.762 39.585 50.972 1.00 0.00 H ATOM 2362 HZ3 LYS B 56 44.772 38.273 51.352 1.00 0.00 H ATOM 2363 H LYS B 56 49.179 40.984 46.126 1.00 0.00 H ATOM 2364 N ASP B 57 49.628 38.870 48.738 1.00 75.67 N ATOM 2365 CA ASP B 57 50.235 37.774 49.491 1.00 75.90 C ATOM 2366 C ASP B 57 51.705 37.893 49.762 1.00 73.65 C ATOM 2367 O ASP B 57 52.245 37.375 50.741 1.00 74.22 O ATOM 2368 CB ASP B 57 49.857 36.472 48.734 1.00 78.86 C ATOM 2369 CG ASP B 57 48.325 36.469 48.687 1.00 83.47 C ATOM 2370 OD1 ASP B 57 47.680 36.485 49.759 1.00 85.87 O ATOM 2371 OD2 ASP B 57 47.775 36.499 47.582 1.00 87.88 O ATOM 2372 HA ASP B 57 49.838 37.786 50.506 1.00 0.00 H ATOM 2373 HB2 ASP B 57 50.271 36.481 47.726 1.00 0.00 H ATOM 2374 HB3 ASP B 57 50.226 35.597 49.269 1.00 0.00 H ATOM 2375 H ASP B 57 49.251 38.668 47.790 1.00 0.00 H ATOM 2376 N LEU B 58 52.441 38.626 48.950 1.00 72.12 N ATOM 2377 CA LEU B 58 53.853 38.846 49.151 1.00 72.16 C ATOM 2378 C LEU B 58 54.140 39.874 50.243 1.00 74.24 C ATOM 2379 O LEU B 58 55.265 39.935 50.747 1.00 74.59 O ATOM 2380 CB LEU B 58 54.452 39.353 47.831 1.00 64.49 C ATOM 2381 CG LEU B 58 54.422 38.441 46.606 1.00 59.20 C ATOM 2382 CD1 LEU B 58 55.465 38.976 45.610 1.00 55.12 C ATOM 2383 CD2 LEU B 58 54.638 36.980 46.932 1.00 52.96 C ATOM 2384 HA LEU B 58 54.297 37.902 49.466 1.00 0.00 H ATOM 2385 HB2 LEU B 58 53.915 40.263 47.565 1.00 0.00 H ATOM 2386 HB3 LEU B 58 55.497 39.593 48.026 1.00 0.00 H ATOM 2387 HG LEU B 58 53.425 38.466 46.167 1.00 0.00 H ATOM 2388 HD21 LEU B 58 55.611 36.855 47.407 1.00 0.00 H ATOM 2389 HD22 LEU B 58 53.855 36.641 47.610 1.00 0.00 H ATOM 2390 HD23 LEU B 58 54.603 36.395 46.013 1.00 0.00 H ATOM 2391 HD11 LEU B 58 55.209 39.998 45.332 1.00 0.00 H ATOM 2392 HD12 LEU B 58 56.451 38.960 46.075 1.00 0.00 H ATOM 2393 HD13 LEU B 58 55.471 38.347 44.720 1.00 0.00 H ATOM 2394 H LEU B 58 51.983 39.066 48.127 1.00 0.00 H ATOM 2395 N ASP B 59 53.192 40.774 50.505 1.00 76.14 N ATOM 2396 CA ASP B 59 53.416 41.881 51.403 1.00 78.59 C ATOM 2397 C ASP B 59 52.551 41.923 52.640 1.00 80.53 C ATOM 2398 O ASP B 59 51.631 42.730 52.703 1.00 81.47 O ATOM 2399 CB ASP B 59 53.195 43.202 50.626 1.00 80.08 C ATOM 2400 CG ASP B 59 53.980 44.348 51.244 1.00 77.98 C ATOM 2401 OD1 ASP B 59 54.845 43.994 52.069 1.00 79.41 O ATOM 2402 OD2 ASP B 59 53.764 45.520 50.869 1.00 76.07 O ATOM 2403 HA ASP B 59 54.437 41.748 51.761 1.00 0.00 H ATOM 2404 HB2 ASP B 59 53.519 43.065 49.594 1.00 0.00 H ATOM 2405 HB3 ASP B 59 52.134 43.450 50.642 1.00 0.00 H ATOM 2406 H ASP B 59 52.263 40.675 50.048 1.00 0.00 H ATOM 2407 N GLN B 60 52.837 41.099 53.619 1.00 83.39 N ATOM 2408 CA GLN B 60 52.189 41.022 54.918 1.00 85.14 C ATOM 2409 C GLN B 60 52.007 42.438 55.484 1.00 85.40 C ATOM 2410 O GLN B 60 50.948 43.066 55.488 1.00 85.15 O ATOM 2411 CB GLN B 60 53.175 40.297 55.849 1.00 89.25 C ATOM 2412 CG GLN B 60 53.030 38.837 56.095 1.00 93.47 C ATOM 2413 CD GLN B 60 53.976 37.936 55.333 1.00 95.14 C ATOM 2414 OE1 GLN B 60 53.584 37.401 54.276 1.00 98.91 O ATOM 2415 NE2 GLN B 60 55.182 37.710 55.826 1.00 94.15 N ATOM 2416 HA GLN B 60 51.225 40.521 54.838 1.00 0.00 H ATOM 2417 HB2 GLN B 60 54.171 40.449 55.433 1.00 0.00 H ATOM 2418 HB3 GLN B 60 53.110 40.788 56.820 1.00 0.00 H ATOM 2419 HG2 GLN B 60 53.187 38.661 57.159 1.00 0.00 H ATOM 2420 HG3 GLN B 60 52.012 38.554 55.828 1.00 0.00 H ATOM 2421 HE22 GLN B 60 55.478 38.172 56.710 1.00 0.00 H ATOM 2422 HE21 GLN B 60 55.835 37.070 55.330 1.00 0.00 H ATOM 2423 H GLN B 60 53.612 40.427 53.447 1.00 0.00 H ATOM 2424 N CYS B 61 53.134 43.041 55.855 1.00 85.67 N ATOM 2425 CA CYS B 61 53.247 44.364 56.404 1.00 87.02 C ATOM 2426 C CYS B 61 52.744 45.507 55.549 1.00 87.55 C ATOM 2427 O CYS B 61 52.941 46.700 55.896 1.00 87.71 O ATOM 2428 CB CYS B 61 54.731 44.645 56.747 1.00 89.18 C ATOM 2429 SG CYS B 61 55.568 43.376 57.724 1.00 92.43 S ATOM 2430 HA CYS B 61 52.591 44.345 57.274 1.00 0.00 H ATOM 2431 HB2 CYS B 61 54.774 45.580 57.306 1.00 0.00 H ATOM 2432 HB3 CYS B 61 55.275 44.758 55.809 1.00 0.00 H ATOM 2433 HG CYS B 61 56.874 43.760 57.951 1.00 0.00 H ATOM 2434 H CYS B 61 54.016 42.504 55.736 1.00 0.00 H ATOM 2435 N ARG B 62 52.190 45.288 54.363 1.00 86.60 N ATOM 2436 CA ARG B 62 51.750 46.336 53.481 1.00 85.05 C ATOM 2437 C ARG B 62 52.716 47.500 53.383 1.00 82.13 C ATOM 2438 O ARG B 62 52.231 48.622 53.203 1.00 82.80 O ATOM 2439 CB ARG B 62 50.346 46.868 53.820 1.00 89.40 C ATOM 2440 CG ARG B 62 49.196 46.066 53.229 1.00 92.92 C ATOM 2441 CD ARG B 62 48.148 46.938 52.552 1.00 96.47 C ATOM 2442 NE ARG B 62 48.586 47.369 51.241 1.00100.45 N ATOM 2443 CZ ARG B 62 48.049 48.158 50.330 1.00101.37 C ATOM 2444 NH1 ARG B 62 46.872 48.756 50.494 1.00100.21 N ATOM 2445 NH2 ARG B 62 48.741 48.355 49.196 1.00100.70 N ATOM 2446 HA ARG B 62 51.711 45.848 52.507 1.00 0.00 H ATOM 2447 HB2 ARG B 62 50.237 46.868 54.904 1.00 0.00 H ATOM 2448 HB3 ARG B 62 50.272 47.890 53.448 1.00 0.00 H ATOM 2449 HG2 ARG B 62 49.599 45.372 52.492 1.00 0.00 H ATOM 2450 HG3 ARG B 62 48.716 45.505 54.030 1.00 0.00 H ATOM 2451 HD2 ARG B 62 47.963 47.816 53.171 1.00 0.00 H ATOM 2452 HD3 ARG B 62 47.225 46.368 52.448 1.00 0.00 H ATOM 2453 HE ARG B 62 49.508 46.979 50.961 1.00 0.00 H ATOM 2454 HH12 ARG B 62 46.491 49.369 49.745 1.00 0.00 H ATOM 2455 HH11 ARG B 62 46.332 48.610 51.371 1.00 0.00 H ATOM 2456 HH22 ARG B 62 48.355 48.970 48.451 1.00 0.00 H ATOM 2457 HH21 ARG B 62 49.663 47.893 49.063 1.00 0.00 H ATOM 2458 H ARG B 62 52.067 44.303 54.054 1.00 0.00 H ATOM 2459 N ASP B 63 54.033 47.302 53.394 1.00 79.77 N ATOM 2460 CA ASP B 63 54.943 48.422 53.243 1.00 77.21 C ATOM 2461 C ASP B 63 55.299 48.654 51.783 1.00 74.71 C ATOM 2462 O ASP B 63 56.096 49.550 51.487 1.00 73.96 O ATOM 2463 CB ASP B 63 56.202 48.345 54.063 1.00 82.57 C ATOM 2464 CG ASP B 63 56.964 47.055 54.054 1.00 86.09 C ATOM 2465 OD1 ASP B 63 56.726 46.207 53.163 1.00 88.23 O ATOM 2466 OD2 ASP B 63 57.835 46.906 54.956 1.00 88.14 O ATOM 2467 HA ASP B 63 54.382 49.270 53.636 1.00 0.00 H ATOM 2468 HB2 ASP B 63 56.874 49.123 53.701 1.00 0.00 H ATOM 2469 HB3 ASP B 63 55.930 48.555 55.097 1.00 0.00 H ATOM 2470 H ASP B 63 54.411 46.340 53.511 1.00 0.00 H ATOM 2471 N GLY B 64 54.769 47.817 50.895 1.00 72.62 N ATOM 2472 CA GLY B 64 55.042 48.000 49.466 1.00 69.99 C ATOM 2473 C GLY B 64 56.474 47.634 49.128 1.00 66.39 C ATOM 2474 O GLY B 64 57.173 48.243 48.317 1.00 66.36 O ATOM 2475 HA3 GLY B 64 54.870 49.043 49.202 1.00 0.00 H ATOM 2476 HA2 GLY B 64 54.368 47.365 48.891 1.00 0.00 H ATOM 2477 H GLY B 64 54.162 47.035 51.214 1.00 0.00 H ATOM 2478 N LYS B 65 56.959 46.606 49.810 1.00 62.81 N ATOM 2479 CA LYS B 65 58.322 46.183 49.510 1.00 62.00 C ATOM 2480 C LYS B 65 58.346 44.669 49.452 1.00 57.21 C ATOM 2481 O LYS B 65 57.766 43.966 50.257 1.00 58.70 O ATOM 2482 CB LYS B 65 59.368 46.755 50.426 1.00 66.95 C ATOM 2483 CG LYS B 65 59.835 48.140 50.069 1.00 73.79 C ATOM 2484 CD LYS B 65 60.901 48.672 51.029 1.00 78.42 C ATOM 2485 CE LYS B 65 60.482 50.064 51.509 1.00 79.65 C ATOM 2486 NZ LYS B 65 61.396 51.078 50.896 1.00 85.40 N ATOM 2487 HA LYS B 65 58.601 46.594 48.540 1.00 0.00 H ATOM 2488 HB2 LYS B 65 58.955 46.786 51.434 1.00 0.00 H ATOM 2489 HB3 LYS B 65 60.232 46.091 50.409 1.00 0.00 H ATOM 2490 HG2 LYS B 65 60.252 48.119 49.062 1.00 0.00 H ATOM 2491 HG3 LYS B 65 58.978 48.813 50.092 1.00 0.00 H ATOM 2492 HD2 LYS B 65 60.992 48.002 51.884 1.00 0.00 H ATOM 2493 HD3 LYS B 65 61.860 48.735 50.514 1.00 0.00 H ATOM 2494 HE2 LYS B 65 60.553 50.115 52.595 1.00 0.00 H ATOM 2495 HE3 LYS B 65 59.455 50.264 51.204 1.00 0.00 H ATOM 2496 HZ1 LYS B 65 62.375 50.883 51.189 1.00 0.00 H ATOM 2497 HZ2 LYS B 65 61.325 51.025 49.860 1.00 0.00 H ATOM 2498 HZ3 LYS B 65 61.121 52.029 51.215 1.00 0.00 H ATOM 2499 H LYS B 65 56.389 46.120 50.531 1.00 0.00 H ATOM 2500 N VAL B 66 59.001 44.183 48.452 1.00 55.99 N ATOM 2501 CA VAL B 66 59.135 42.707 48.292 1.00 53.79 C ATOM 2502 C VAL B 66 60.627 42.442 48.383 1.00 50.64 C ATOM 2503 O VAL B 66 61.373 43.001 47.576 1.00 50.55 O ATOM 2504 CB VAL B 66 58.520 42.261 46.970 1.00 56.07 C ATOM 2505 CG1 VAL B 66 59.181 41.027 46.411 1.00 56.33 C ATOM 2506 CG2 VAL B 66 57.007 42.065 47.155 1.00 50.61 C ATOM 2507 HA VAL B 66 58.602 42.138 49.054 1.00 0.00 H ATOM 2508 HB VAL B 66 58.691 43.044 46.231 1.00 0.00 H ATOM 2509 HG11 VAL B 66 60.238 41.229 46.238 1.00 0.00 H ATOM 2510 HG12 VAL B 66 59.078 40.207 47.122 1.00 0.00 H ATOM 2511 HG13 VAL B 66 58.703 40.755 45.470 1.00 0.00 H ATOM 2512 HG21 VAL B 66 56.831 41.304 47.915 1.00 0.00 H ATOM 2513 HG22 VAL B 66 56.556 43.006 47.469 1.00 0.00 H ATOM 2514 HG23 VAL B 66 56.565 41.746 46.211 1.00 0.00 H ATOM 2515 H VAL B 66 59.436 44.822 47.757 1.00 0.00 H ATOM 2516 N GLY B 67 61.038 41.693 49.405 1.00 46.94 N ATOM 2517 CA GLY B 67 62.465 41.399 49.508 1.00 43.27 C ATOM 2518 C GLY B 67 62.717 39.987 48.915 1.00 42.92 C ATOM 2519 O GLY B 67 61.807 39.198 48.596 1.00 39.04 O ATOM 2520 HA3 GLY B 67 62.771 41.420 50.554 1.00 0.00 H ATOM 2521 HA2 GLY B 67 63.036 42.141 48.949 1.00 0.00 H ATOM 2522 H GLY B 67 60.364 41.329 50.108 1.00 0.00 H ATOM 2523 N PHE B 68 64.007 39.658 48.869 1.00 40.13 N ATOM 2524 CA PHE B 68 64.474 38.413 48.363 1.00 42.54 C ATOM 2525 C PHE B 68 63.676 37.195 48.773 1.00 45.41 C ATOM 2526 O PHE B 68 63.442 36.339 47.871 1.00 46.28 O ATOM 2527 CB PHE B 68 65.958 38.133 48.665 1.00 34.73 C ATOM 2528 CG PHE B 68 66.517 37.046 47.833 1.00 39.99 C ATOM 2529 CD1 PHE B 68 66.801 37.302 46.459 1.00 41.43 C ATOM 2530 CD2 PHE B 68 66.804 35.792 48.353 1.00 36.12 C ATOM 2531 CE1 PHE B 68 67.307 36.293 45.656 1.00 38.85 C ATOM 2532 CE2 PHE B 68 67.331 34.776 47.554 1.00 37.90 C ATOM 2533 CZ PHE B 68 67.561 35.004 46.184 1.00 40.70 C ATOM 2534 HA PHE B 68 64.334 38.559 47.292 1.00 0.00 H ATOM 2535 HB2 PHE B 68 66.529 39.043 48.480 1.00 0.00 H ATOM 2536 HB3 PHE B 68 66.053 37.853 49.714 1.00 0.00 H ATOM 2537 HD2 PHE B 68 66.614 35.596 49.408 1.00 0.00 H ATOM 2538 HE2 PHE B 68 67.565 33.805 47.991 1.00 0.00 H ATOM 2539 HZ PHE B 68 67.928 34.203 45.542 1.00 0.00 H ATOM 2540 HE1 PHE B 68 67.512 36.494 44.604 1.00 0.00 H ATOM 2541 HD1 PHE B 68 66.620 38.292 46.041 1.00 0.00 H ATOM 2542 H PHE B 68 64.706 40.344 49.220 1.00 0.00 H ATOM 2543 N GLN B 69 63.374 37.055 50.050 1.00 43.22 N ATOM 2544 CA GLN B 69 62.821 35.786 50.485 1.00 45.89 C ATOM 2545 C GLN B 69 61.397 35.611 50.027 1.00 45.23 C ATOM 2546 O GLN B 69 60.872 34.507 49.846 1.00 45.66 O ATOM 2547 CB GLN B 69 63.044 35.606 52.004 1.00 49.78 C ATOM 2548 CG GLN B 69 61.943 34.855 52.721 1.00 58.76 C ATOM 2549 CD GLN B 69 62.297 34.205 54.034 1.00 66.87 C ATOM 2550 OE1 GLN B 69 61.400 33.570 54.636 1.00 70.11 O ATOM 2551 NE2 GLN B 69 63.541 34.310 54.524 1.00 65.17 N ATOM 2552 HA GLN B 69 63.356 34.968 50.002 1.00 0.00 H ATOM 2553 HB2 GLN B 69 63.977 35.061 52.148 1.00 0.00 H ATOM 2554 HB3 GLN B 69 63.130 36.595 52.454 1.00 0.00 H ATOM 2555 HG2 GLN B 69 61.134 35.560 52.911 1.00 0.00 H ATOM 2556 HG3 GLN B 69 61.590 34.071 52.051 1.00 0.00 H ATOM 2557 HE22 GLN B 69 64.263 34.844 54.000 1.00 0.00 H ATOM 2558 HE21 GLN B 69 63.784 33.857 55.428 1.00 0.00 H ATOM 2559 H GLN B 69 63.528 37.831 50.725 1.00 0.00 H ATOM 2560 N SER B 70 60.686 36.716 49.963 1.00 43.21 N ATOM 2561 CA SER B 70 59.292 36.731 49.547 1.00 40.51 C ATOM 2562 C SER B 70 59.273 36.506 48.010 1.00 39.80 C ATOM 2563 O SER B 70 58.495 35.777 47.453 1.00 37.14 O ATOM 2564 CB SER B 70 58.738 38.071 50.015 1.00 41.75 C ATOM 2565 OG SER B 70 57.608 37.783 50.842 1.00 49.70 O ATOM 2566 HA SER B 70 58.664 35.950 49.975 1.00 0.00 H ATOM 2567 HB2 SER B 70 58.433 38.672 49.158 1.00 0.00 H ATOM 2568 HB3 SER B 70 59.493 38.611 50.586 1.00 0.00 H ATOM 2569 HG SER B 70 57.215 38.631 51.169 1.00 0.00 H ATOM 2570 H SER B 70 61.139 37.616 50.220 1.00 0.00 H ATOM 2571 N PHE B 71 60.240 37.047 47.303 1.00 35.99 N ATOM 2572 CA PHE B 71 60.525 36.849 45.946 1.00 39.65 C ATOM 2573 C PHE B 71 60.691 35.343 45.656 1.00 40.73 C ATOM 2574 O PHE B 71 59.890 34.755 44.881 1.00 39.11 O ATOM 2575 CB PHE B 71 61.756 37.640 45.517 1.00 39.10 C ATOM 2576 CG PHE B 71 62.266 37.152 44.207 1.00 41.91 C ATOM 2577 CD1 PHE B 71 61.483 37.333 43.073 1.00 44.72 C ATOM 2578 CD2 PHE B 71 63.470 36.487 44.119 1.00 41.02 C ATOM 2579 CE1 PHE B 71 61.934 36.854 41.844 1.00 41.68 C ATOM 2580 CE2 PHE B 71 63.935 36.028 42.919 1.00 43.84 C ATOM 2581 CZ PHE B 71 63.150 36.235 41.770 1.00 45.24 C ATOM 2582 HA PHE B 71 59.687 37.222 45.357 1.00 0.00 H ATOM 2583 HB2 PHE B 71 61.491 38.694 45.428 1.00 0.00 H ATOM 2584 HB3 PHE B 71 62.536 37.525 46.270 1.00 0.00 H ATOM 2585 HD2 PHE B 71 64.060 36.325 45.021 1.00 0.00 H ATOM 2586 HE2 PHE B 71 64.893 35.513 42.853 1.00 0.00 H ATOM 2587 HZ PHE B 71 63.519 35.895 40.802 1.00 0.00 H ATOM 2588 HE1 PHE B 71 61.322 36.972 40.950 1.00 0.00 H ATOM 2589 HD1 PHE B 71 60.524 37.846 43.144 1.00 0.00 H ATOM 2590 H PHE B 71 60.869 37.700 47.812 1.00 0.00 H ATOM 2591 N PHE B 72 61.520 34.684 46.470 1.00 41.30 N ATOM 2592 CA PHE B 72 61.690 33.250 46.487 1.00 37.45 C ATOM 2593 C PHE B 72 60.398 32.509 46.761 1.00 35.45 C ATOM 2594 O PHE B 72 60.129 31.428 46.279 1.00 39.71 O ATOM 2595 CB PHE B 72 62.586 32.707 47.676 1.00 35.44 C ATOM 2596 CG PHE B 72 63.309 31.569 47.001 1.00 30.99 C ATOM 2597 CD1 PHE B 72 64.331 31.860 46.150 1.00 27.81 C ATOM 2598 CD2 PHE B 72 62.908 30.269 47.214 1.00 34.62 C ATOM 2599 CE1 PHE B 72 64.998 30.842 45.486 1.00 26.62 C ATOM 2600 CE2 PHE B 72 63.587 29.255 46.564 1.00 34.32 C ATOM 2601 CZ PHE B 72 64.625 29.571 45.702 1.00 27.93 C ATOM 2602 HA PHE B 72 62.124 33.078 45.502 1.00 0.00 H ATOM 2603 HB2 PHE B 72 63.281 33.467 48.032 1.00 0.00 H ATOM 2604 HB3 PHE B 72 61.976 32.356 48.508 1.00 0.00 H ATOM 2605 HD2 PHE B 72 62.075 30.045 47.880 1.00 0.00 H ATOM 2606 HE2 PHE B 72 63.308 28.214 46.728 1.00 0.00 H ATOM 2607 HZ PHE B 72 65.151 28.768 45.187 1.00 0.00 H ATOM 2608 HE1 PHE B 72 65.813 31.070 44.799 1.00 0.00 H ATOM 2609 HD1 PHE B 72 64.626 32.897 45.990 1.00 0.00 H ATOM 2610 H PHE B 72 62.084 35.244 47.140 1.00 0.00 H ATOM 2611 N SER B 73 59.572 33.095 47.604 1.00 34.48 N ATOM 2612 CA SER B 73 58.310 32.455 47.878 1.00 38.24 C ATOM 2613 C SER B 73 57.412 32.528 46.609 1.00 38.35 C ATOM 2614 O SER B 73 56.546 31.691 46.334 1.00 40.07 O ATOM 2615 CB SER B 73 57.610 33.100 49.093 1.00 33.68 C ATOM 2616 OG SER B 73 56.999 31.890 49.712 1.00 46.44 O ATOM 2617 HA SER B 73 58.488 31.409 48.129 1.00 0.00 H ATOM 2618 HB2 SER B 73 56.854 33.824 48.788 1.00 0.00 H ATOM 2619 HB3 SER B 73 58.323 33.581 49.763 1.00 0.00 H ATOM 2620 HG SER B 73 56.502 32.153 50.527 1.00 0.00 H ATOM 2621 H SER B 73 59.824 33.995 48.060 1.00 0.00 H ATOM 2622 N LEU B 74 57.592 33.576 45.778 1.00 38.95 N ATOM 2623 CA LEU B 74 56.841 33.651 44.564 1.00 39.68 C ATOM 2624 C LEU B 74 57.294 32.476 43.693 1.00 38.69 C ATOM 2625 O LEU B 74 56.532 31.589 43.355 1.00 40.88 O ATOM 2626 CB LEU B 74 57.022 34.994 43.833 1.00 43.51 C ATOM 2627 CG LEU B 74 56.129 35.175 42.585 1.00 41.36 C ATOM 2628 CD1 LEU B 74 54.730 34.568 42.775 1.00 36.48 C ATOM 2629 CD2 LEU B 74 56.022 36.617 42.214 1.00 41.23 C ATOM 2630 HA LEU B 74 55.775 33.592 44.785 1.00 0.00 H ATOM 2631 HB2 LEU B 74 56.793 35.796 44.534 1.00 0.00 H ATOM 2632 HB3 LEU B 74 58.063 35.073 43.520 1.00 0.00 H ATOM 2633 HG LEU B 74 56.611 34.634 41.771 1.00 0.00 H ATOM 2634 HD21 LEU B 74 55.584 37.173 43.043 1.00 0.00 H ATOM 2635 HD22 LEU B 74 57.015 37.009 41.996 1.00 0.00 H ATOM 2636 HD23 LEU B 74 55.388 36.718 41.333 1.00 0.00 H ATOM 2637 HD11 LEU B 74 54.822 33.500 42.972 1.00 0.00 H ATOM 2638 HD12 LEU B 74 54.236 35.053 43.617 1.00 0.00 H ATOM 2639 HD13 LEU B 74 54.143 34.722 41.870 1.00 0.00 H ATOM 2640 H LEU B 74 58.273 34.324 46.019 1.00 0.00 H ATOM 2641 N ILE B 75 58.577 32.456 43.381 1.00 37.37 N ATOM 2642 CA ILE B 75 59.125 31.421 42.545 1.00 39.22 C ATOM 2643 C ILE B 75 58.768 30.052 43.058 1.00 42.00 C ATOM 2644 O ILE B 75 58.265 29.194 42.292 1.00 46.17 O ATOM 2645 CB ILE B 75 60.621 31.656 42.353 1.00 38.52 C ATOM 2646 CG1 ILE B 75 60.941 33.060 41.915 1.00 41.42 C ATOM 2647 CG2 ILE B 75 61.163 30.647 41.361 1.00 44.40 C ATOM 2648 CD1 ILE B 75 59.924 33.639 40.883 1.00 41.23 C ATOM 2649 HA ILE B 75 58.674 31.466 41.554 1.00 0.00 H ATOM 2650 HB ILE B 75 61.105 31.523 43.321 1.00 0.00 H ATOM 2651 HG12 ILE B 75 60.944 33.704 42.795 1.00 0.00 H ATOM 2652 HG13 ILE B 75 61.932 33.062 41.461 1.00 0.00 H ATOM 2653 HD11 ILE B 75 59.917 33.013 39.991 1.00 0.00 H ATOM 2654 HD12 ILE B 75 58.928 33.654 41.326 1.00 0.00 H ATOM 2655 HD13 ILE B 75 60.219 34.653 40.614 1.00 0.00 H ATOM 2656 HG21 ILE B 75 60.997 29.639 41.742 1.00 0.00 H ATOM 2657 HG22 ILE B 75 60.649 30.765 40.407 1.00 0.00 H ATOM 2658 HG23 ILE B 75 62.231 30.813 41.223 1.00 0.00 H ATOM 2659 H ILE B 75 59.203 33.202 43.746 1.00 0.00 H ATOM 2660 N ALA B 76 58.919 29.802 44.370 1.00 39.45 N ATOM 2661 CA ALA B 76 58.550 28.501 44.913 1.00 37.04 C ATOM 2662 C ALA B 76 57.121 28.143 44.533 1.00 37.10 C ATOM 2663 O ALA B 76 56.806 27.082 44.046 1.00 36.19 O ATOM 2664 CB ALA B 76 58.727 28.550 46.428 1.00 28.28 C ATOM 2665 HA ALA B 76 59.192 27.725 44.496 1.00 0.00 H ATOM 2666 HB1 ALA B 76 59.767 28.774 46.664 1.00 0.00 H ATOM 2667 HB2 ALA B 76 58.084 29.326 46.843 1.00 0.00 H ATOM 2668 HB3 ALA B 76 58.456 27.585 46.856 1.00 0.00 H ATOM 2669 H ALA B 76 59.300 30.538 44.998 1.00 0.00 H ATOM 2670 N GLY B 77 56.146 29.037 44.844 1.00 39.29 N ATOM 2671 CA GLY B 77 54.763 28.745 44.457 1.00 40.45 C ATOM 2672 C GLY B 77 54.625 28.510 42.960 1.00 40.37 C ATOM 2673 O GLY B 77 53.981 27.488 42.596 1.00 42.78 O ATOM 2674 HA3 GLY B 77 54.133 29.588 44.740 1.00 0.00 H ATOM 2675 HA2 GLY B 77 54.431 27.851 44.985 1.00 0.00 H ATOM 2676 H GLY B 77 56.378 29.916 45.349 1.00 0.00 H ATOM 2677 N LEU B 78 55.256 29.303 42.089 1.00 38.36 N ATOM 2678 CA LEU B 78 55.046 28.991 40.649 1.00 39.99 C ATOM 2679 C LEU B 78 55.615 27.658 40.205 1.00 41.02 C ATOM 2680 O LEU B 78 55.019 26.928 39.410 1.00 42.34 O ATOM 2681 CB LEU B 78 55.615 30.068 39.739 1.00 37.32 C ATOM 2682 CG LEU B 78 54.920 31.429 39.843 1.00 34.29 C ATOM 2683 CD1 LEU B 78 55.646 32.454 39.001 1.00 37.56 C ATOM 2684 CD2 LEU B 78 53.464 31.253 39.484 1.00 41.00 C ATOM 2685 HA LEU B 78 53.961 28.944 40.556 1.00 0.00 H ATOM 2686 HB2 LEU B 78 56.667 30.204 39.990 1.00 0.00 H ATOM 2687 HB3 LEU B 78 55.531 29.722 38.709 1.00 0.00 H ATOM 2688 HG LEU B 78 54.956 31.815 40.862 1.00 0.00 H ATOM 2689 HD21 LEU B 78 53.386 30.872 38.466 1.00 0.00 H ATOM 2690 HD22 LEU B 78 53.004 30.546 40.174 1.00 0.00 H ATOM 2691 HD23 LEU B 78 52.955 32.214 39.553 1.00 0.00 H ATOM 2692 HD11 LEU B 78 56.673 32.550 39.353 1.00 0.00 H ATOM 2693 HD12 LEU B 78 55.646 32.132 37.960 1.00 0.00 H ATOM 2694 HD13 LEU B 78 55.140 33.416 39.085 1.00 0.00 H ATOM 2695 H LEU B 78 55.858 30.092 42.399 1.00 0.00 H ATOM 2696 N THR B 79 56.827 27.367 40.707 1.00 41.55 N ATOM 2697 CA THR B 79 57.530 26.131 40.444 1.00 36.79 C ATOM 2698 C THR B 79 56.842 24.907 40.963 1.00 36.15 C ATOM 2699 O THR B 79 56.825 23.829 40.328 1.00 38.49 O ATOM 2700 CB THR B 79 58.950 26.191 41.027 1.00 31.89 C ATOM 2701 OG1 THR B 79 59.577 27.409 40.581 1.00 39.82 O ATOM 2702 CG2 THR B 79 59.745 25.046 40.426 1.00 30.07 C ATOM 2703 HA THR B 79 57.556 26.040 39.358 1.00 0.00 H ATOM 2704 HB THR B 79 58.915 26.139 42.115 1.00 0.00 H ATOM 2705 HG1 THR B 79 59.049 28.185 40.896 1.00 0.00 H ATOM 2706 HG23 THR B 79 59.306 24.098 40.737 1.00 0.00 H ATOM 2707 HG21 THR B 79 59.721 25.120 39.339 1.00 0.00 H ATOM 2708 HG22 THR B 79 60.777 25.101 40.772 1.00 0.00 H ATOM 2709 H THR B 79 57.286 28.071 41.320 1.00 0.00 H ATOM 2710 N ILE B 80 56.279 25.005 42.147 1.00 35.30 N ATOM 2711 CA ILE B 80 55.588 23.823 42.688 1.00 37.58 C ATOM 2712 C ILE B 80 54.273 23.634 41.891 1.00 39.20 C ATOM 2713 O ILE B 80 53.880 22.493 41.760 1.00 37.75 O ATOM 2714 CB ILE B 80 55.345 24.018 44.191 1.00 37.79 C ATOM 2715 CG1 ILE B 80 56.703 23.940 44.902 1.00 44.88 C ATOM 2716 CG2 ILE B 80 54.375 22.978 44.749 1.00 28.35 C ATOM 2717 CD1 ILE B 80 56.759 24.814 46.155 1.00 48.41 C ATOM 2718 HA ILE B 80 56.189 22.920 42.579 1.00 0.00 H ATOM 2719 HB ILE B 80 54.883 24.990 44.362 1.00 0.00 H ATOM 2720 HG12 ILE B 80 56.889 22.905 45.189 1.00 0.00 H ATOM 2721 HG13 ILE B 80 57.479 24.269 44.211 1.00 0.00 H ATOM 2722 HD11 ILE B 80 56.583 25.854 45.879 1.00 0.00 H ATOM 2723 HD12 ILE B 80 55.992 24.489 46.858 1.00 0.00 H ATOM 2724 HD13 ILE B 80 57.741 24.721 46.618 1.00 0.00 H ATOM 2725 HG21 ILE B 80 53.418 23.062 44.233 1.00 0.00 H ATOM 2726 HG22 ILE B 80 54.786 21.980 44.595 1.00 0.00 H ATOM 2727 HG23 ILE B 80 54.231 23.152 45.815 1.00 0.00 H ATOM 2728 H ILE B 80 56.321 25.893 42.687 1.00 0.00 H ATOM 2729 N ALA B 81 53.598 24.719 41.452 1.00 38.81 N ATOM 2730 CA ALA B 81 52.368 24.563 40.638 1.00 38.48 C ATOM 2731 C ALA B 81 52.729 23.884 39.321 1.00 39.59 C ATOM 2732 O ALA B 81 52.188 22.841 38.989 1.00 41.59 O ATOM 2733 CB ALA B 81 51.736 25.920 40.379 1.00 34.79 C ATOM 2734 HA ALA B 81 51.646 23.949 41.177 1.00 0.00 H ATOM 2735 HB1 ALA B 81 51.479 26.387 41.330 1.00 0.00 H ATOM 2736 HB2 ALA B 81 52.443 26.552 39.842 1.00 0.00 H ATOM 2737 HB3 ALA B 81 50.834 25.791 39.781 1.00 0.00 H ATOM 2738 H ALA B 81 53.944 25.671 41.687 1.00 0.00 H ATOM 2739 N CYS B 82 53.744 24.382 38.599 1.00 39.71 N ATOM 2740 CA CYS B 82 54.200 23.743 37.406 1.00 40.13 C ATOM 2741 C CYS B 82 54.577 22.311 37.670 1.00 43.31 C ATOM 2742 O CYS B 82 54.413 21.477 36.775 1.00 45.29 O ATOM 2743 CB CYS B 82 55.411 24.450 36.761 1.00 39.31 C ATOM 2744 SG CYS B 82 55.019 26.176 36.279 1.00 44.99 S ATOM 2745 HA CYS B 82 53.362 23.798 36.712 1.00 0.00 H ATOM 2746 HB2 CYS B 82 55.711 23.895 35.872 1.00 0.00 H ATOM 2747 HB3 CYS B 82 56.234 24.462 37.475 1.00 0.00 H ATOM 2748 HG CYS B 82 54.646 26.891 37.399 1.00 0.00 H ATOM 2749 H CYS B 82 54.211 25.256 38.916 1.00 0.00 H ATOM 2750 N ASN B 83 55.186 22.019 38.854 1.00 45.39 N ATOM 2751 CA ASN B 83 55.650 20.622 39.024 1.00 42.44 C ATOM 2752 C ASN B 83 54.436 19.730 39.161 1.00 42.54 C ATOM 2753 O ASN B 83 54.364 18.641 38.603 1.00 39.35 O ATOM 2754 CB ASN B 83 56.633 20.468 40.163 1.00 38.78 C ATOM 2755 CG ASN B 83 56.788 19.022 40.583 1.00 39.02 C ATOM 2756 OD1 ASN B 83 56.137 18.621 41.549 1.00 37.79 O ATOM 2757 ND2 ASN B 83 57.618 18.269 39.861 1.00 35.93 N ATOM 2758 HA ASN B 83 56.214 20.318 38.142 1.00 0.00 H ATOM 2759 HB2 ASN B 83 57.604 20.849 39.845 1.00 0.00 H ATOM 2760 HB3 ASN B 83 56.278 21.047 41.016 1.00 0.00 H ATOM 2761 HD22 ASN B 83 58.132 18.685 39.058 1.00 0.00 H ATOM 2762 HD21 ASN B 83 57.751 17.266 40.101 1.00 0.00 H ATOM 2763 H ASN B 83 55.318 22.736 39.596 1.00 0.00 H ATOM 2764 N ASP B 84 53.464 20.241 39.922 1.00 46.21 N ATOM 2765 CA ASP B 84 52.233 19.477 40.125 1.00 52.83 C ATOM 2766 C ASP B 84 51.605 19.061 38.792 1.00 54.44 C ATOM 2767 O ASP B 84 51.359 17.910 38.540 1.00 53.90 O ATOM 2768 CB ASP B 84 51.225 20.277 40.941 1.00 55.92 C ATOM 2769 CG ASP B 84 51.428 20.000 42.415 1.00 60.42 C ATOM 2770 OD1 ASP B 84 52.162 19.051 42.757 1.00 63.71 O ATOM 2771 OD2 ASP B 84 50.853 20.730 43.243 1.00 68.57 O ATOM 2772 HA ASP B 84 52.501 18.575 40.676 1.00 0.00 H ATOM 2773 HB2 ASP B 84 51.366 21.341 40.749 1.00 0.00 H ATOM 2774 HB3 ASP B 84 50.214 19.988 40.653 1.00 0.00 H ATOM 2775 H ASP B 84 53.581 21.174 40.366 1.00 0.00 H ATOM 2776 N TYR B 85 51.480 20.054 37.919 1.00 57.28 N ATOM 2777 CA TYR B 85 50.924 19.959 36.608 1.00 58.89 C ATOM 2778 C TYR B 85 51.717 19.065 35.690 1.00 60.02 C ATOM 2779 O TYR B 85 51.186 18.335 34.849 1.00 59.65 O ATOM 2780 CB TYR B 85 50.779 21.387 36.023 1.00 62.60 C ATOM 2781 CG TYR B 85 49.974 21.256 34.738 1.00 67.39 C ATOM 2782 CD1 TYR B 85 50.633 20.932 33.556 1.00 69.24 C ATOM 2783 CD2 TYR B 85 48.610 21.427 34.732 1.00 69.44 C ATOM 2784 CE1 TYR B 85 49.940 20.771 32.382 1.00 72.25 C ATOM 2785 CE2 TYR B 85 47.899 21.266 33.547 1.00 71.94 C ATOM 2786 CZ TYR B 85 48.568 20.938 32.396 1.00 73.19 C ATOM 2787 OH TYR B 85 47.892 20.790 31.220 1.00 77.90 O ATOM 2788 HA TYR B 85 49.944 19.489 36.689 1.00 0.00 H ATOM 2789 HB3 TYR B 85 51.762 21.807 35.809 1.00 0.00 H ATOM 2790 HB2 TYR B 85 50.256 22.031 36.730 1.00 0.00 H ATOM 2791 HD2 TYR B 85 48.087 21.688 35.652 1.00 0.00 H ATOM 2792 HE2 TYR B 85 46.817 21.400 33.534 1.00 0.00 H ATOM 2793 HE1 TYR B 85 50.461 20.517 31.459 1.00 0.00 H ATOM 2794 HD1 TYR B 85 51.715 20.804 33.562 1.00 0.00 H ATOM 2795 HH TYR B 85 48.531 20.555 30.501 1.00 0.00 H ATOM 2796 H TYR B 85 51.820 20.990 38.219 1.00 0.00 H ATOM 2797 N PHE B 86 53.043 19.123 35.814 1.00 60.40 N ATOM 2798 CA PHE B 86 53.921 18.268 35.027 1.00 60.04 C ATOM 2799 C PHE B 86 53.772 16.798 35.411 1.00 61.18 C ATOM 2800 O PHE B 86 53.784 15.927 34.549 1.00 60.77 O ATOM 2801 CB PHE B 86 55.381 18.683 35.266 1.00 54.24 C ATOM 2802 CG PHE B 86 56.428 17.773 34.703 1.00 52.50 C ATOM 2803 CD1 PHE B 86 56.790 17.867 33.347 1.00 50.35 C ATOM 2804 CD2 PHE B 86 57.082 16.849 35.505 1.00 49.45 C ATOM 2805 CE1 PHE B 86 57.780 17.069 32.812 1.00 48.92 C ATOM 2806 CE2 PHE B 86 58.066 16.027 34.960 1.00 48.70 C ATOM 2807 CZ PHE B 86 58.413 16.131 33.619 1.00 49.83 C ATOM 2808 HA PHE B 86 53.645 18.385 33.979 1.00 0.00 H ATOM 2809 HB2 PHE B 86 55.524 19.669 34.823 1.00 0.00 H ATOM 2810 HB3 PHE B 86 55.538 18.744 36.343 1.00 0.00 H ATOM 2811 HD2 PHE B 86 56.826 16.766 36.561 1.00 0.00 H ATOM 2812 HE2 PHE B 86 58.569 15.295 35.592 1.00 0.00 H ATOM 2813 HZ PHE B 86 59.180 15.479 33.201 1.00 0.00 H ATOM 2814 HE1 PHE B 86 58.064 17.173 31.765 1.00 0.00 H ATOM 2815 HD1 PHE B 86 56.278 18.585 32.706 1.00 0.00 H ATOM 2816 H PHE B 86 53.461 19.795 36.489 1.00 0.00 H ATOM 2817 N VAL B 87 53.672 16.511 36.715 1.00 62.29 N ATOM 2818 CA VAL B 87 53.690 15.107 37.150 1.00 63.62 C ATOM 2819 C VAL B 87 52.437 14.358 36.757 1.00 65.70 C ATOM 2820 O VAL B 87 52.452 13.155 36.513 1.00 65.23 O ATOM 2821 CB VAL B 87 53.987 15.053 38.670 1.00 62.05 C ATOM 2822 CG1 VAL B 87 53.553 13.782 39.359 1.00 60.81 C ATOM 2823 CG2 VAL B 87 55.486 15.323 38.884 1.00 60.26 C ATOM 2824 HA VAL B 87 54.490 14.584 36.626 1.00 0.00 H ATOM 2825 HB VAL B 87 53.381 15.826 39.142 1.00 0.00 H ATOM 2826 HG11 VAL B 87 52.476 13.658 39.246 1.00 0.00 H ATOM 2827 HG12 VAL B 87 54.067 12.933 38.909 1.00 0.00 H ATOM 2828 HG13 VAL B 87 53.804 13.841 40.418 1.00 0.00 H ATOM 2829 HG21 VAL B 87 56.069 14.563 38.363 1.00 0.00 H ATOM 2830 HG22 VAL B 87 55.736 16.308 38.490 1.00 0.00 H ATOM 2831 HG23 VAL B 87 55.712 15.288 39.950 1.00 0.00 H ATOM 2832 H VAL B 87 53.582 17.275 37.415 1.00 0.00 H ATOM 2833 N VAL B 88 51.309 15.047 36.765 1.00 67.56 N ATOM 2834 CA VAL B 88 50.012 14.498 36.464 1.00 68.66 C ATOM 2835 C VAL B 88 49.747 14.355 34.976 1.00 69.05 C ATOM 2836 O VAL B 88 49.339 13.288 34.522 1.00 71.06 O ATOM 2837 CB VAL B 88 48.908 15.410 37.066 1.00 70.40 C ATOM 2838 CG1 VAL B 88 47.580 15.186 36.372 1.00 70.91 C ATOM 2839 CG2 VAL B 88 48.813 15.121 38.570 1.00 70.66 C ATOM 2840 HA VAL B 88 49.995 13.500 36.902 1.00 0.00 H ATOM 2841 HB VAL B 88 49.166 16.458 36.913 1.00 0.00 H ATOM 2842 HG11 VAL B 88 47.683 15.414 35.311 1.00 0.00 H ATOM 2843 HG12 VAL B 88 47.279 14.145 36.493 1.00 0.00 H ATOM 2844 HG13 VAL B 88 46.826 15.837 36.814 1.00 0.00 H ATOM 2845 HG21 VAL B 88 48.557 14.072 38.722 1.00 0.00 H ATOM 2846 HG22 VAL B 88 49.773 15.334 39.041 1.00 0.00 H ATOM 2847 HG23 VAL B 88 48.042 15.752 39.012 1.00 0.00 H ATOM 2848 H VAL B 88 51.362 16.057 37.006 1.00 0.00 H ATOM 2849 N HIS B 89 49.955 15.413 34.223 1.00 68.32 N ATOM 2850 CA HIS B 89 49.654 15.495 32.830 1.00 67.39 C ATOM 2851 C HIS B 89 50.797 15.149 31.918 1.00 67.47 C ATOM 2852 O HIS B 89 50.535 14.734 30.787 1.00 66.26 O ATOM 2853 CB HIS B 89 49.152 16.899 32.479 1.00 68.32 C ATOM 2854 CG HIS B 89 47.875 17.276 33.167 1.00 72.97 C ATOM 2855 ND1 HIS B 89 47.806 18.267 34.141 1.00 73.78 N ATOM 2856 CD2 HIS B 89 46.611 16.823 33.030 1.00 73.43 C ATOM 2857 CE1 HIS B 89 46.566 18.399 34.569 1.00 73.30 C ATOM 2858 NE2 HIS B 89 45.819 17.546 33.905 1.00 75.49 N ATOM 2859 HA HIS B 89 48.883 14.742 32.663 1.00 0.00 H ATOM 2860 HB2 HIS B 89 49.920 17.619 32.761 1.00 0.00 H ATOM 2861 HB3 HIS B 89 48.989 16.947 31.402 1.00 0.00 H ATOM 2862 HD2 HIS B 89 46.276 16.035 32.356 1.00 0.00 H ATOM 2863 HE1 HIS B 89 46.222 19.092 35.337 1.00 0.00 H ATOM 2864 H HIS B 89 50.370 16.252 34.676 1.00 0.00 H ATOM 2865 N MET B 90 52.047 15.343 32.315 1.00 69.38 N ATOM 2866 CA MET B 90 53.160 15.092 31.411 1.00 71.42 C ATOM 2867 C MET B 90 54.188 14.071 31.830 1.00 74.23 C ATOM 2868 O MET B 90 54.695 13.364 30.928 1.00 74.97 O ATOM 2869 CB MET B 90 53.903 16.420 31.079 1.00 68.59 C ATOM 2870 CG MET B 90 53.027 17.455 30.484 1.00 69.69 C ATOM 2871 SD MET B 90 53.737 19.092 30.320 1.00 75.95 S ATOM 2872 CE MET B 90 54.835 18.771 28.930 1.00 75.71 C ATOM 2873 HA MET B 90 52.663 14.653 30.546 1.00 0.00 H ATOM 2874 HB2 MET B 90 54.329 16.817 32.000 1.00 0.00 H ATOM 2875 HB3 MET B 90 54.705 16.200 30.374 1.00 0.00 H ATOM 2876 HG2 MET B 90 52.138 17.539 31.109 1.00 0.00 H ATOM 2877 HG3 MET B 90 52.739 17.116 29.489 1.00 0.00 H ATOM 2878 HE1 MET B 90 55.547 17.992 29.203 1.00 0.00 H ATOM 2879 HE2 MET B 90 54.247 18.443 28.073 1.00 0.00 H ATOM 2880 HE3 MET B 90 55.373 19.684 28.675 1.00 0.00 H ATOM 2881 H MET B 90 52.234 15.678 33.282 1.00 0.00 H ATOM 2882 N LYS B 91 54.610 13.992 33.083 1.00 76.26 N ATOM 2883 CA LYS B 91 55.683 13.053 33.440 1.00 79.64 C ATOM 2884 C LYS B 91 55.524 11.756 32.657 1.00 82.10 C ATOM 2885 O LYS B 91 54.406 11.186 32.716 1.00 83.14 O ATOM 2886 CB LYS B 91 55.737 12.825 34.921 1.00 83.23 C ATOM 2887 CG LYS B 91 56.806 11.993 35.562 1.00 83.33 C ATOM 2888 CD LYS B 91 56.200 10.942 36.478 1.00 89.71 C ATOM 2889 CE LYS B 91 55.124 11.453 37.410 1.00 92.43 C ATOM 2890 NZ LYS B 91 53.744 11.018 37.043 1.00 93.86 N ATOM 2891 HA LYS B 91 56.642 13.491 33.163 1.00 0.00 H ATOM 2892 HB2 LYS B 91 55.804 13.812 35.379 1.00 0.00 H ATOM 2893 HB3 LYS B 91 54.788 12.363 35.193 1.00 0.00 H ATOM 2894 HG2 LYS B 91 57.387 11.497 34.784 1.00 0.00 H ATOM 2895 HG3 LYS B 91 57.461 12.640 36.145 1.00 0.00 H ATOM 2896 HD2 LYS B 91 55.766 10.160 35.855 1.00 0.00 H ATOM 2897 HD3 LYS B 91 57.001 10.519 37.085 1.00 0.00 H ATOM 2898 HE2 LYS B 91 55.153 12.543 37.403 1.00 0.00 H ATOM 2899 HE3 LYS B 91 55.341 11.092 38.415 1.00 0.00 H ATOM 2900 HZ1 LYS B 91 53.515 11.365 36.090 1.00 0.00 H ATOM 2901 HZ2 LYS B 91 53.694 9.979 37.057 1.00 0.00 H ATOM 2902 HZ3 LYS B 91 53.065 11.408 37.728 1.00 0.00 H ATOM 2903 H LYS B 91 54.182 14.595 33.815 1.00 0.00 H TER 2904 LYS B 91 HETATM 2905 O HOH 1 74.604 33.505 54.876 1.00 50.80 O HETATM 2906 O HOH 2 66.233 30.115 25.299 1.00 43.75 O HETATM 2907 O HOH 3 65.637 36.405 30.647 1.00 54.84 O HETATM 2908 O HOH 4 61.905 21.306 27.714 1.00 41.42 O HETATM 2909 O HOH 5 78.495 25.638 57.735 1.00 69.93 O HETATM 2910 O HOH 6 65.705 7.657 52.962 1.00 53.42 O HETATM 2911 O HOH 7 53.835 18.191 57.561 1.00 87.82 O HETATM 2912 O HOH 8 58.357 15.073 56.168 1.00 78.16 O HETATM 2913 O HOH 9 71.783 33.925 34.560 1.00 81.59 O HETATM 2914 O HOH 10 77.224 13.871 54.475 1.00 59.19 O HETATM 2915 O HOH 11 68.774 29.683 55.088 1.00 62.05 O HETATM 2916 O HOH 12 68.649 27.250 33.901 1.00 76.84 O HETATM 2917 O HOH 13 79.045 23.603 45.591 1.00 52.05 O HETATM 2918 O HOH 14 74.868 19.867 36.716 1.00 48.86 O HETATM 2919 O HOH 15 67.505 41.309 49.739 1.00 60.90 O HETATM 2920 O HOH 16 51.117 36.547 29.593 1.00 65.33 O HETATM 2921 O HOH 17 45.568 39.378 26.398 1.00 82.10 O HETATM 2922 O HOH 18 54.541 19.883 43.107 1.00 60.59 O HETATM 2923 O HOH 19 80.122 22.830 40.858 1.00 55.44 O HETATM 2924 O HOH 20 65.692 36.388 54.584 1.00 61.20 O HETATM 2925 O HOH 21 57.593 40.903 51.112 1.00 77.62 O HETATM 2926 O HOH 22 81.051 25.658 45.990 1.00 56.98 O HETATM 2927 C ACE A 23 60.815 26.529 29.078 1.00 0.18 C HETATM 2928 O ACE A 23 59.844 27.111 29.555 1.00 -0.40 O HETATM 2929 CH3 ACE A 23 62.169 26.607 29.741 1.00 0.03 C HETATM 2930 H1 ACE A 23 62.896 26.021 29.160 1.00 0.05 H HETATM 2931 H2 ACE A 23 62.102 26.200 30.761 1.00 0.05 H HETATM 2932 H3 ACE A 23 62.496 27.656 29.785 1.00 0.05 H HETATM 2933 N ACE A 23 61.010 25.717 28.048 1.00 -0.26 N HETATM 2934 CA ACE A 23 60.141 25.559 26.958 1.00 0.15 C HETATM 2935 CB ACE A 23 60.713 24.987 25.672 1.00 0.08 C HETATM 2936 OG ACE A 23 60.454 23.584 25.725 1.00 -0.39 O HETATM 2937 H8 ACE A 23 60.880 23.213 26.488 1.00 0.21 H HETATM 2938 H6 ACE A 23 61.795 25.175 25.616 1.00 0.06 H HETATM 2939 H7 ACE A 23 60.217 25.436 24.799 1.00 0.06 H HETATM 2940 C ACE A 23 58.952 24.779 27.550 1.00 0.21 C HETATM 2941 O ACE A 23 57.760 25.095 27.403 1.00 -0.39 O HETATM 2942 N ACE A 23 59.298 23.865 28.473 1.00 -0.26 N HETATM 2943 CA ACE A 23 58.177 23.196 29.193 1.00 0.16 C HETATM 2944 CB ACE A 23 58.409 21.752 29.385 1.00 0.09 C HETATM 2945 CG2 ACE A 23 59.645 21.191 28.767 1.00 -0.03 C HETATM 2946 H13 ACE A 23 59.704 20.113 28.979 1.00 0.03 H HETATM 2947 H14 ACE A 23 60.527 21.696 29.187 1.00 0.03 H HETATM 2948 H15 ACE A 23 59.615 21.349 27.679 1.00 0.03 H HETATM 2949 OG1 ACE A 23 58.060 21.153 30.576 1.00 -0.39 O HETATM 2950 H12 ACE A 23 57.268 21.557 30.912 1.00 0.21 H HETATM 2951 H11 ACE A 23 57.634 21.343 28.720 1.00 0.06 H HETATM 2952 C ACE A 23 57.614 24.011 30.331 1.00 0.21 C HETATM 2953 O ACE A 23 56.365 24.016 31.000 1.00 -0.39 O HETATM 2954 N ACE A 23 58.387 24.842 31.074 1.00 -0.26 N HETATM 2955 CA ACE A 23 57.783 25.652 32.149 1.00 0.13 C HETATM 2956 CB ACE A 23 58.856 26.250 33.146 1.00 -0.01 C HETATM 2957 CG2 ACE A 23 59.214 25.161 34.155 1.00 -0.06 C HETATM 2958 H22 ACE A 23 59.541 24.258 33.619 1.00 0.02 H HETATM 2959 H23 ACE A 23 58.332 24.925 34.768 1.00 0.02 H HETATM 2960 H24 ACE A 23 60.028 25.516 34.805 1.00 0.02 H HETATM 2961 CG1 ACE A 23 58.417 27.462 33.909 1.00 -0.06 C HETATM 2962 H19 ACE A 23 59.232 27.795 34.569 1.00 0.02 H HETATM 2963 H20 ACE A 23 57.533 27.214 34.515 1.00 0.02 H HETATM 2964 H21 ACE A 23 58.164 28.267 33.204 1.00 0.02 H HETATM 2965 H18 ACE A 23 59.749 26.520 32.564 1.00 0.03 H HETATM 2966 C ACE A 23 56.958 26.748 31.527 1.00 0.20 C HETATM 2967 O ACE A 23 55.905 27.122 32.045 1.00 -0.39 O HETATM 2968 N ACE A 23 57.445 27.257 30.397 1.00 -0.26 N HETATM 2969 CA ACE A 23 56.721 28.313 29.669 1.00 0.14 C HETATM 2970 CB ACE A 23 57.529 28.790 28.477 1.00 0.04 C HETATM 2971 CG ACE A 23 56.746 29.786 27.676 1.00 0.06 C HETATM 2972 ND1 ACE A 23 56.895 31.134 27.765 1.00 -0.26 N HETATM 2973 CE1 ACE A 23 56.029 31.765 27.028 1.00 0.09 C HETATM 2974 NE2 ACE A 23 55.345 30.843 26.384 1.00 -0.34 N HETATM 2975 CD2 ACE A 23 55.748 29.593 26.764 1.00 -0.03 C HETATM 2976 H30 ACE A 23 55.355 28.640 26.412 1.00 0.03 H HETATM 2977 H31 ACE A 23 55.896 32.843 26.957 1.00 0.11 H HETATM 2978 H29 ACE A 23 57.607 31.599 28.346 1.00 0.24 H HETATM 2979 H27 ACE A 23 57.777 27.928 27.840 1.00 0.05 H HETATM 2980 H28 ACE A 23 58.456 29.262 28.834 1.00 0.05 H HETATM 2981 C ACE A 23 55.329 27.830 29.298 1.00 0.21 C HETATM 2982 O ACE A 23 54.356 28.499 29.625 1.00 -0.39 O HETATM 2983 N ACE A 23 55.157 26.650 28.739 1.00 -0.26 N HETATM 2984 CA ACE A 23 53.884 26.085 28.360 1.00 0.13 C HETATM 2985 CB ACE A 23 54.017 24.825 27.514 1.00 -0.00 C HETATM 2986 CG ACE A 23 55.016 24.979 26.352 1.00 0.00 C HETATM 2987 CD ACE A 23 54.324 25.363 25.039 1.00 0.04 C HETATM 2988 OE2 ACE A 23 54.832 26.243 24.304 1.00 -0.57 O HETATM 2989 OE1 ACE A 23 53.251 24.762 24.785 1.00 -0.57 O HETATM 2990 H36 ACE A 23 55.542 24.024 26.209 1.00 0.04 H HETATM 2991 H37 ACE A 23 55.743 25.763 26.611 1.00 0.04 H HETATM 2992 H34 ACE A 23 53.030 24.578 27.096 1.00 0.03 H HETATM 2993 H35 ACE A 23 54.357 24.003 28.161 1.00 0.03 H HETATM 2994 C ACE A 23 53.056 25.750 29.572 1.00 0.20 C HETATM 2995 O ACE A 23 51.839 25.993 29.528 1.00 -0.39 O HETATM 2996 N ACE A 23 53.674 25.215 30.638 1.00 -0.26 N HETATM 2997 CA ACE A 23 52.793 24.969 31.810 1.00 0.13 C HETATM 2998 CB ACE A 23 53.448 24.090 32.880 1.00 -0.00 C HETATM 2999 CG2 ACE A 23 52.584 23.934 34.116 1.00 -0.06 C HETATM 3000 H43 ACE A 23 52.329 24.928 34.513 1.00 0.02 H HETATM 3001 H44 ACE A 23 53.135 23.365 34.879 1.00 0.02 H HETATM 3002 H45 ACE A 23 51.661 23.396 33.853 1.00 0.02 H HETATM 3003 CG1 ACE A 23 53.850 22.780 32.263 1.00 -0.05 C HETATM 3004 CD1 ACE A 23 54.294 21.634 33.102 1.00 -0.06 C HETATM 3005 H46 ACE A 23 54.540 20.779 32.455 1.00 0.02 H HETATM 3006 H47 ACE A 23 53.486 21.350 33.793 1.00 0.02 H HETATM 3007 H48 ACE A 23 55.184 21.925 33.679 1.00 0.02 H HETATM 3008 H41 ACE A 23 54.679 23.002 31.575 1.00 0.03 H HETATM 3009 H42 ACE A 23 52.981 22.427 31.689 1.00 0.03 H HETATM 3010 H40 ACE A 23 54.370 24.596 33.203 1.00 0.03 H HETATM 3011 C ACE A 23 52.361 26.311 32.358 1.00 0.20 C HETATM 3012 O ACE A 23 51.184 26.453 32.694 1.00 -0.39 O HETATM 3013 N ACE A 23 53.228 27.342 32.450 1.00 -0.26 N HETATM 3014 CA ACE A 23 52.698 28.594 33.022 1.00 0.13 C HETATM 3015 CB ACE A 23 53.743 29.673 33.248 1.00 -0.01 C HETATM 3016 CG ACE A 23 54.874 29.178 34.217 1.00 -0.04 C HETATM 3017 CD1 ACE A 23 56.013 30.164 34.226 1.00 -0.06 C HETATM 3018 H54 ACE A 23 56.800 29.809 34.907 1.00 0.02 H HETATM 3019 H55 ACE A 23 55.647 31.144 34.567 1.00 0.02 H HETATM 3020 H56 ACE A 23 56.423 30.259 33.210 1.00 0.02 H HETATM 3021 CD2 ACE A 23 54.301 28.894 35.574 1.00 -0.06 C HETATM 3022 H57 ACE A 23 53.479 28.169 35.480 1.00 0.02 H HETATM 3023 H58 ACE A 23 53.919 29.827 36.013 1.00 0.02 H HETATM 3024 H59 ACE A 23 55.085 28.478 36.223 1.00 0.02 H HETATM 3025 H53 ACE A 23 55.267 28.229 33.824 1.00 0.03 H HETATM 3026 H51 ACE A 23 53.257 30.556 33.687 1.00 0.03 H HETATM 3027 H52 ACE A 23 54.193 29.944 32.282 1.00 0.03 H HETATM 3028 C ACE A 23 51.450 29.078 32.318 1.00 0.20 C HETATM 3029 O ACE A 23 50.511 29.570 32.926 1.00 -0.39 O HETATM 3030 N ACE A 23 51.459 28.889 30.995 1.00 -0.26 N HETATM 3031 CA ACE A 23 50.336 29.166 30.103 1.00 0.15 C HETATM 3032 CB ACE A 23 50.774 29.042 28.642 1.00 0.08 C HETATM 3033 OG ACE A 23 51.236 30.383 28.303 1.00 -0.39 O HETATM 3034 H64 ACE A 23 51.530 30.396 27.400 1.00 0.21 H HETATM 3035 H62 ACE A 23 49.929 28.745 28.003 1.00 0.06 H HETATM 3036 H63 ACE A 23 51.588 28.309 28.538 1.00 0.06 H HETATM 3037 C ACE A 23 49.115 28.335 30.428 1.00 0.21 C HETATM 3038 O ACE A 23 48.026 28.880 30.309 1.00 -0.39 O HETATM 3039 N ACE A 23 49.213 27.120 30.923 1.00 -0.26 N HETATM 3040 CA ACE A 23 48.093 26.302 31.363 1.00 0.13 C HETATM 3041 CB ACE A 23 48.440 24.809 31.407 1.00 -0.01 C HETATM 3042 CG ACE A 23 48.009 24.009 30.201 1.00 -0.04 C HETATM 3043 CD ACE A 23 48.408 24.724 28.916 1.00 -0.01 C HETATM 3044 CE ACE A 23 48.438 23.751 27.743 1.00 -0.04 C HETATM 3045 NZ ACE A 23 49.122 24.358 26.556 1.00 0.22 N HETATM 3046 H75 ACE A 23 49.128 23.695 25.797 1.00 0.20 H HETATM 3047 H76 ACE A 23 50.070 24.597 26.801 1.00 0.20 H HETATM 3048 H77 ACE A 23 48.628 25.190 26.272 1.00 0.20 H HETATM 3049 H73 ACE A 23 47.406 23.488 27.468 1.00 0.08 H HETATM 3050 H74 ACE A 23 48.980 22.842 28.044 1.00 0.08 H HETATM 3051 H71 ACE A 23 49.407 25.166 29.044 1.00 0.03 H HETATM 3052 H72 ACE A 23 47.679 25.521 28.705 1.00 0.03 H HETATM 3053 H69 ACE A 23 46.916 23.884 30.221 1.00 0.03 H HETATM 3054 H70 ACE A 23 48.492 23.021 30.230 1.00 0.03 H HETATM 3055 H67 ACE A 23 47.956 24.374 32.294 1.00 0.03 H HETATM 3056 H68 ACE A 23 49.532 24.717 31.503 1.00 0.03 H HETATM 3057 C ACE A 23 47.627 26.687 32.778 1.00 0.20 C HETATM 3058 O ACE A 23 46.677 26.140 33.351 1.00 -0.39 O HETATM 3059 N ACE A 23 48.346 27.601 33.418 1.00 -0.26 N HETATM 3060 CA ACE A 23 47.971 28.052 34.764 1.00 0.13 C HETATM 3061 CB ACE A 23 49.114 28.090 35.733 1.00 -0.01 C HETATM 3062 CG ACE A 23 49.917 26.844 36.054 1.00 -0.04 C HETATM 3063 CD1 ACE A 23 50.675 27.027 37.364 1.00 -0.06 C HETATM 3064 H83 ACE A 23 51.252 26.117 37.584 1.00 0.02 H HETATM 3065 H84 ACE A 23 49.960 27.213 38.179 1.00 0.02 H HETATM 3066 H85 ACE A 23 51.360 27.883 37.275 1.00 0.02 H HETATM 3067 CD2 ACE A 23 49.064 25.594 36.072 1.00 -0.06 C HETATM 3068 H86 ACE A 23 48.535 25.497 35.113 1.00 0.02 H HETATM 3069 H87 ACE A 23 48.331 25.662 36.890 1.00 0.02 H HETATM 3070 H88 ACE A 23 49.706 24.714 36.227 1.00 0.02 H HETATM 3071 H82 ACE A 23 50.661 26.717 35.254 1.00 0.03 H HETATM 3072 H80 ACE A 23 48.701 28.449 36.687 1.00 0.03 H HETATM 3073 H81 ACE A 23 49.829 28.829 35.342 1.00 0.03 H HETATM 3074 C ACE A 23 47.369 29.448 34.558 1.00 0.20 C HETATM 3075 O ACE A 23 46.764 29.991 35.452 1.00 -0.39 O HETATM 3076 N ACE A 23 47.557 29.925 33.328 1.00 -0.26 N HETATM 3077 CA ACE A 23 47.076 31.182 32.807 1.00 0.17 C HETATM 3078 CB ACE A 23 48.276 32.000 32.280 1.00 0.09 C HETATM 3079 OG ACE A 23 48.558 33.045 33.196 1.00 -0.39 O HETATM 3080 H93 ACE A 23 49.295 33.553 32.878 1.00 0.21 H HETATM 3081 H91 ACE A 23 48.028 32.428 31.297 1.00 0.06 H HETATM 3082 H92 ACE A 23 49.155 31.346 32.184 1.00 0.06 H HETATM 3083 C ACE A 23 46.027 31.042 31.703 1.00 0.26 C HETATM 3084 O ACE A 23 45.186 30.093 31.780 1.00 -0.37 O HETATM 3085 O1 ACE A 23 45.996 31.896 30.684 1.00 -0.29 O HETATM 3086 H94 ACE A 23 45.156 32.339 30.669 1.00 0.25 H HETATM 3087 H90 ACE A 23 46.612 31.733 33.638 1.00 0.08 H HETATM 3088 H89 ACE A 23 48.086 29.353 32.701 1.00 0.19 H HETATM 3089 H79 ACE A 23 47.206 27.375 35.171 1.00 0.08 H HETATM 3090 H78 ACE A 23 49.155 27.988 32.977 1.00 0.19 H HETATM 3091 H66 ACE A 23 47.264 26.455 30.657 1.00 0.08 H HETATM 3092 H65 ACE A 23 50.129 26.728 31.003 1.00 0.19 H HETATM 3093 H61 ACE A 23 50.050 30.216 30.263 1.00 0.08 H HETATM 3094 H60 ACE A 23 52.298 28.531 30.585 1.00 0.19 H HETATM 3095 H50 ACE A 23 52.362 28.320 34.033 1.00 0.08 H HETATM 3096 H49 ACE A 23 54.178 27.261 32.147 1.00 0.19 H HETATM 3097 H39 ACE A 23 51.897 24.438 31.457 1.00 0.08 H HETATM 3098 H38 ACE A 23 54.650 24.999 30.643 1.00 0.19 H HETATM 3099 H33 ACE A 23 53.348 26.841 27.768 1.00 0.08 H HETATM 3100 H32 ACE A 23 55.974 26.101 28.563 1.00 0.19 H HETATM 3101 H26 ACE A 23 56.601 29.171 30.347 1.00 0.08 H HETATM 3102 H25 ACE A 23 58.314 26.918 30.038 1.00 0.19 H HETATM 3103 H17 ACE A 23 57.114 25.001 32.731 1.00 0.08 H HETATM 3104 H16 ACE A 23 59.368 24.906 30.893 1.00 0.19 H HETATM 3105 H10 ACE A 23 57.354 23.211 28.463 1.00 0.08 H HETATM 3106 H9 ACE A 23 60.254 23.646 28.666 1.00 0.19 H HETATM 3107 H5 ACE A 23 59.779 26.561 26.686 1.00 0.08 H HETATM 3108 H4 ACE A 23 61.848 25.171 28.048 1.00 0.19 H CONECT 2927 2928 2929 2933 CONECT 2928 2927 CONECT 2929 2927 2930 2931 2932 CONECT 2930 2929 CONECT 2931 2929 CONECT 2932 2929 CONECT 2933 2927 2934 3108 CONECT 2934 2933 2935 2940 3107 CONECT 2935 2934 2936 2938 2939 CONECT 2936 2935 2937 CONECT 2937 2936 CONECT 2938 2935 CONECT 2939 2935 CONECT 2940 2934 2941 2942 CONECT 2941 2940 CONECT 2942 2940 2943 3106 CONECT 2943 2942 2944 2952 3105 CONECT 2944 2943 2945 2949 2951 CONECT 2945 2944 2946 2947 2948 CONECT 2946 2945 CONECT 2947 2945 CONECT 2948 2945 CONECT 2949 2944 2950 CONECT 2950 2949 CONECT 2951 2944 CONECT 2952 2943 2953 2954 CONECT 2953 2952 CONECT 2954 2952 2955 3104 CONECT 2955 2954 2956 2966 3103 CONECT 2956 2955 2957 2961 2965 CONECT 2957 2956 2958 2959 2960 CONECT 2958 2957 CONECT 2959 2957 CONECT 2960 2957 CONECT 2961 2956 2962 2963 2964 CONECT 2962 2961 CONECT 2963 2961 CONECT 2964 2961 CONECT 2965 2956 CONECT 2966 2955 2967 2968 CONECT 2967 2966 CONECT 2968 2966 2969 3102 CONECT 2969 2968 2970 2981 3101 CONECT 2970 2969 2971 2979 2980 CONECT 2971 2970 2972 2975 CONECT 2972 2971 2973 2978 CONECT 2973 2972 2974 2977 CONECT 2974 2973 2975 CONECT 2975 2971 2974 2976 CONECT 2976 2975 CONECT 2977 2973 CONECT 2978 2972 CONECT 2979 2970 CONECT 2980 2970 CONECT 2981 2969 2982 2983 CONECT 2982 2981 CONECT 2983 2981 2984 3100 CONECT 2984 2983 2985 2994 3099 CONECT 2985 2984 2986 2992 2993 CONECT 2986 2985 2987 2990 2991 CONECT 2987 2986 2988 2989 CONECT 2988 2987 CONECT 2989 2987 CONECT 2990 2986 CONECT 2991 2986 CONECT 2992 2985 CONECT 2993 2985 CONECT 2994 2984 2995 2996 CONECT 2995 2994 CONECT 2996 2994 2997 3098 CONECT 2997 2996 2998 3011 3097 CONECT 2998 2997 2999 3003 3010 CONECT 2999 2998 3000 3001 3002 CONECT 3000 2999 CONECT 3001 2999 CONECT 3002 2999 CONECT 3003 2998 3004 3008 3009 CONECT 3004 3003 3005 3006 3007 CONECT 3005 3004 CONECT 3006 3004 CONECT 3007 3004 CONECT 3008 3003 CONECT 3009 3003 CONECT 3010 2998 CONECT 3011 2997 3012 3013 CONECT 3012 3011 CONECT 3013 3011 3014 3096 CONECT 3014 3013 3015 3028 3095 CONECT 3015 3014 3016 3026 3027 CONECT 3016 3015 3017 3021 3025 CONECT 3017 3016 3018 3019 3020 CONECT 3018 3017 CONECT 3019 3017 CONECT 3020 3017 CONECT 3021 3016 3022 3023 3024 CONECT 3022 3021 CONECT 3023 3021 CONECT 3024 3021 CONECT 3025 3016 CONECT 3026 3015 CONECT 3027 3015 CONECT 3028 3014 3029 3030 CONECT 3029 3028 CONECT 3030 3028 3031 3094 CONECT 3031 3030 3032 3037 3093 CONECT 3032 3031 3033 3035 3036 CONECT 3033 3032 3034 CONECT 3034 3033 CONECT 3035 3032 CONECT 3036 3032 CONECT 3037 3031 3038 3039 CONECT 3038 3037 CONECT 3039 3037 3040 3092 CONECT 3040 3039 3041 3057 3091 CONECT 3041 3040 3042 3055 3056 CONECT 3042 3041 3043 3053 3054 CONECT 3043 3042 3044 3051 3052 CONECT 3044 3043 3045 3049 3050 CONECT 3045 3044 3046 3047 3048 CONECT 3046 3045 CONECT 3047 3045 CONECT 3048 3045 CONECT 3049 3044 CONECT 3050 3044 CONECT 3051 3043 CONECT 3052 3043 CONECT 3053 3042 CONECT 3054 3042 CONECT 3055 3041 CONECT 3056 3041 CONECT 3057 3040 3058 3059 CONECT 3058 3057 CONECT 3059 3057 3060 3090 CONECT 3060 3059 3061 3074 3089 CONECT 3061 3060 3062 3072 3073 CONECT 3062 3061 3063 3067 3071 CONECT 3063 3062 3064 3065 3066 CONECT 3064 3063 CONECT 3065 3063 CONECT 3066 3063 CONECT 3067 3062 3068 3069 3070 CONECT 3068 3067 CONECT 3069 3067 CONECT 3070 3067 CONECT 3071 3062 CONECT 3072 3061 CONECT 3073 3061 CONECT 3074 3060 3075 3076 CONECT 3075 3074 CONECT 3076 3074 3077 3088 CONECT 3077 3076 3078 3083 3087 CONECT 3078 3077 3079 3081 3082 CONECT 3079 3078 3080 CONECT 3080 3079 CONECT 3081 3078 CONECT 3082 3078 CONECT 3083 3077 3084 3085 CONECT 3084 3083 CONECT 3085 3083 3086 CONECT 3086 3085 CONECT 3087 3077 CONECT 3088 3076 CONECT 3089 3060 CONECT 3090 3059 CONECT 3091 3040 CONECT 3092 3039 CONECT 3093 3031 CONECT 3094 3030 CONECT 3095 3014 CONECT 3096 3013 CONECT 3097 2997 CONECT 3098 2996 CONECT 3099 2984 CONECT 3100 2983 CONECT 3101 2969 CONECT 3102 2968 CONECT 3103 2955 CONECT 3104 2954 CONECT 3105 2943 CONECT 3106 2942 CONECT 3107 2934 CONECT 3108 2933 MASTER 0 0 0 0 0 0 0 0 3106 2 182 14 END
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RCSB PDB
PDBbind
17aa, >4FTG_2|Chains... *
Complexes with the same small molecule ligand
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1oj5
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RCSB PDB
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RCSB PDB
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2fx9
RCSB PDB
PDBbind
14-mer
2hug
RCSB PDB
PDBbind
14-mer
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RCSB PDB
PDBbind
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PDBbind
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RCSB PDB
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RCSB PDB
PDBbind
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2lo6
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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PDBbind
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2n8t
RCSB PDB
PDBbind
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2oi3
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PDBbind
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2w2u
RCSB PDB
PDBbind
14-mer
2xl2
RCSB PDB
PDBbind
14-mer
2xl3
RCSB PDB
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14-mer
2xrw
RCSB PDB
PDBbind
14-mer
2xs0
RCSB PDB
PDBbind
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2y8o
RCSB PDB
PDBbind
14-mer
3d9k
RCSB PDB
PDBbind
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3d9l
RCSB PDB
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3d9m
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3d9n
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PDBbind
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3d9o
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PDBbind
14-mer
3d9p
RCSB PDB
PDBbind
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3g2w
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PDBbind
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3lrh
RCSB PDB
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3meu
RCSB PDB
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3pkn
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PDBbind
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3rqe
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PDBbind
14-mer
3so6
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3wuv
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4aza
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4ch2
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PDBbind
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4ch8
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PDBbind
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4erq
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RCSB PDB
PDBbind
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4erz
RCSB PDB
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4es0
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PDBbind
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4ewr
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4fi9
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4gly
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4gxl
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PDBbind
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4hgc
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RCSB PDB
PDBbind
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4i7c
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4i7d
RCSB PDB
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4k1e
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PDBbind
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4ktu
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RCSB PDB
PDBbind
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4wv6
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PDBbind
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5aer
RCSB PDB
PDBbind
14-mer
5dpw
RCSB PDB
PDBbind
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5e0l
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PDBbind
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5eoc
RCSB PDB
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RCSB PDB
PDBbind
14-mer
5ixf
RCSB PDB
PDBbind
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5ly1
RCSB PDB
PDBbind
14-mer
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PDBbind
14-mer
5n8w
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PDBbind
14-mer
5unj
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PDBbind
14-mer
5vlh
RCSB PDB
PDBbind
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5vll
RCSB PDB
PDBbind
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5wbk
RCSB PDB
PDBbind
14-mer
5zoo
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PDBbind
14-mer
6axk
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6axl
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PDBbind
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
14-mer
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PDBbind
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PDBbind
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PDBbind
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PDBbind
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PDBbind
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PDBbind
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PDBbind
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Entry Information
PDB ID
1bt6
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
S100A10
Ligand Name
14-mer
EC.Number
E.C.-.-.-.-
Resolution
2.4(Å)
Affinity (Kd/Ki/IC50)
Kd=2uM
Release Year
1999
Protein/NA Sequence
Check fasta file
Primary Reference
(1999) Nat.Struct.Biol. Vol. 6: pp. 89-95
Ligand Properties
Formula
C
5
5
H
9
5
N
1
4
O
1
9
Molecular Weight
1256.430
Exact Mass
1255.690
No. of atoms
183
No. of bonds
183
Polar Surface Area
531.94
LOGP Value
-3.66 (
Computed with XLOGP3
)
-1.88 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 18
No. of Hydrogen Bond Acceptors: 20
No. of Rotatable Bonds: 57
No. of Nitrogen and Oxygen Atoms: 33
No. of Rings: 1
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)C)CO)Cc1[nH]cnc1)CCC(=O)O)CC(C)C)CO
InChI String
InChI=1S/C55H94N14O19/c1-11-29(8)43(53(85)63-36(19-27(4)5)47(79)65-39(23-71)50(82)60-33(14-12-13-17-56)45(77)62-35(18-26(2)3)48(80)66-40(24-72)55(87)88)68-46(78)34(15-16-41(75)76)61-49(81)37(20-32-21-57-25-58-32)64-52(84)42(28(6)7)67-54(86)44(30(9)73)69-51(83)38(22-70)59-31(10)74/h21,25-30,33-40,42-44,70-73H,11-20,22-24,56H2,1-10H3,(H,57,58)(H,59,74)(H,60,82)(H,61,81)(H,62,77)(H,63,85)(H,64,84)(H,65,79)(H,66,80)(H,67,86)(H,68,78)(H,69,83)(H,75,76)(H,87,88)/p+1/t29-,30+,33-,34-,35-,36-,37-,38-,39-,40-,42-,43-,44-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
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UniProtKB AC
UniProt accession number (AC):
P17785
P60903
Entrez Gene ID
NCBI Entrez Gene ID:
396297
6281
ASD
Information of known allosteric effects of PDB entries
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