Browse entries in the PDBbind-CN Database
HEADER 1AT5_COMPLEX COMPND 1AT5_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 100 LYS VAL PHE GLY ARG CYS GLU LEU ALA ALA ALA MET LYS SEQRES 2 A 100 ARG HIS GLY LEU ASP ASN TYR ARG GLY TYR SER LEU GLY SEQRES 3 A 100 ASN TRP VAL CYS ALA ALA LYS PHE GLU SER ASN PHE ASN SEQRES 4 A 100 THR GLN ALA THR ASN ARG ASN THR ASP GLY SER THR ASP SEQRES 5 A 100 TYR GLY ILE LEU GLN ILE ASN SER ARG TRP TRP CYS ASN SEQRES 6 A 100 ASP GLY ARG THR PRO GLY SER ARG ASN LEU CYS ASN ILE SEQRES 7 A 100 PRO CYS SER ALA LEU LEU SER SER ASP ILE THR ALA SER SEQRES 8 A 100 VAL ASN CYS ALA LYS LYS ILE VAL SER SEQRES 1 A 27 ASN GLY MET ASN ALA TRP VAL ALA TRP ARG ASN ARG CYS SEQRES 2 A 27 LYS GLY THR ASP VAL GLN ALA TRP ILE ARG GLY CYS ARG SEQRES 3 A 27 LEU HET MOL A 223 84 SSBOND 1 CYS A 64 CYS A 80 SSBOND 2 CYS A 76 CYS A 94 SSBOND 3 CYS A 30 CYS A 115 SSBOND 4 CYS A 6 CYS A 127 ATOM 1 N LYS A 1 3.238 9.969 10.668 1.00 16.41 N ATOM 2 CA LYS A 1 2.311 10.326 9.560 1.00 16.51 C ATOM 3 C LYS A 1 2.306 11.841 9.322 1.00 17.05 C ATOM 4 O LYS A 1 2.319 12.626 10.276 1.00 16.35 O ATOM 5 CB LYS A 1 0.888 9.866 9.905 1.00 16.62 C ATOM 6 CG LYS A 1 -0.125 10.176 8.826 1.00 20.88 C ATOM 7 CD LYS A 1 -1.529 9.857 9.274 1.00 22.75 C ATOM 8 CE LYS A 1 -2.524 10.265 8.190 1.00 27.18 C ATOM 9 NZ LYS A 1 -3.945 10.093 8.639 1.00 31.60 N ATOM 10 HA LYS A 1 2.653 9.827 8.653 1.00 0.00 H ATOM 11 HB2 LYS A 1 0.903 8.788 10.065 1.00 0.00 H ATOM 12 HB3 LYS A 1 0.577 10.364 10.823 1.00 0.00 H ATOM 13 HG2 LYS A 1 -0.065 11.236 8.578 1.00 0.00 H ATOM 14 HG3 LYS A 1 0.108 9.583 7.941 1.00 0.00 H ATOM 15 HD2 LYS A 1 -1.615 8.786 9.460 1.00 0.00 H ATOM 16 HD3 LYS A 1 -1.749 10.403 10.191 1.00 0.00 H ATOM 17 HE2 LYS A 1 -2.356 9.648 7.307 1.00 0.00 H ATOM 18 HE3 LYS A 1 -2.359 11.312 7.936 1.00 0.00 H ATOM 19 HZ1 LYS A 1 -4.114 9.095 8.877 1.00 0.00 H ATOM 20 HZ2 LYS A 1 -4.116 10.684 9.477 1.00 0.00 H ATOM 21 HZ3 LYS A 1 -4.587 10.381 7.873 1.00 0.00 H ATOM 22 HN3 LYS A 1 2.933 10.445 11.541 1.00 0.00 H ATOM 23 HN2 LYS A 1 4.202 10.274 10.424 1.00 0.00 H ATOM 24 HN1 LYS A 1 3.225 8.939 10.811 1.00 0.00 H ATOM 25 N VAL A 2 2.374 12.247 8.057 1.00 15.03 N ATOM 26 CA VAL A 2 2.310 13.670 7.714 1.00 17.00 C ATOM 27 C VAL A 2 0.915 13.943 7.179 1.00 18.63 C ATOM 28 O VAL A 2 0.534 13.427 6.126 1.00 21.02 O ATOM 29 CB VAL A 2 3.402 14.112 6.683 1.00 15.63 C ATOM 30 CG1 VAL A 2 3.258 15.598 6.348 1.00 16.38 C ATOM 31 CG2 VAL A 2 4.796 13.849 7.239 1.00 15.25 C ATOM 32 HA VAL A 2 2.514 14.257 8.609 1.00 0.00 H ATOM 33 HB VAL A 2 3.263 13.528 5.773 1.00 0.00 H ATOM 34 HG11 VAL A 2 2.273 15.778 5.918 1.00 0.00 H ATOM 35 HG12 VAL A 2 3.372 16.187 7.258 1.00 0.00 H ATOM 36 HG13 VAL A 2 4.027 15.883 5.630 1.00 0.00 H ATOM 37 HG21 VAL A 2 4.930 14.413 8.162 1.00 0.00 H ATOM 38 HG22 VAL A 2 4.910 12.784 7.442 1.00 0.00 H ATOM 39 HG23 VAL A 2 5.542 14.162 6.509 1.00 0.00 H ATOM 40 H VAL A 2 2.474 11.542 7.299 1.00 0.00 H ATOM 41 N PHE A 3 0.123 14.655 7.971 1.00 17.02 N ATOM 42 CA PHE A 3 -1.253 14.953 7.616 1.00 16.51 C ATOM 43 C PHE A 3 -1.359 16.015 6.575 1.00 16.09 C ATOM 44 O PHE A 3 -0.451 16.837 6.410 1.00 18.04 O ATOM 45 CB PHE A 3 -2.023 15.474 8.831 1.00 15.43 C ATOM 46 CG PHE A 3 -2.661 14.410 9.657 1.00 14.61 C ATOM 47 CD1 PHE A 3 -1.961 13.805 10.698 1.00 15.31 C ATOM 48 CD2 PHE A 3 -3.994 14.077 9.459 1.00 14.71 C ATOM 49 CE1 PHE A 3 -2.590 12.885 11.535 1.00 16.87 C ATOM 50 CE2 PHE A 3 -4.635 13.160 10.284 1.00 14.40 C ATOM 51 CZ PHE A 3 -3.944 12.565 11.326 1.00 16.84 C ATOM 52 HA PHE A 3 -1.665 14.017 7.240 1.00 0.00 H ATOM 53 HB2 PHE A 3 -1.329 16.027 9.464 1.00 0.00 H ATOM 54 HB3 PHE A 3 -2.805 16.146 8.477 1.00 0.00 H ATOM 55 HD2 PHE A 3 -4.547 14.542 8.643 1.00 0.00 H ATOM 56 HE2 PHE A 3 -5.682 12.909 10.111 1.00 0.00 H ATOM 57 HZ PHE A 3 -4.446 11.853 11.981 1.00 0.00 H ATOM 58 HE1 PHE A 3 -2.036 12.416 12.348 1.00 0.00 H ATOM 59 HD1 PHE A 3 -0.912 14.053 10.860 1.00 0.00 H ATOM 60 H PHE A 3 0.499 15.010 8.873 1.00 0.00 H ATOM 61 N GLY A 4 -2.462 15.929 5.832 1.00 17.21 N ATOM 62 CA GLY A 4 -2.831 16.950 4.881 1.00 15.97 C ATOM 63 C GLY A 4 -3.604 18.011 5.660 1.00 15.09 C ATOM 64 O GLY A 4 -4.149 17.678 6.716 1.00 15.26 O ATOM 65 HA3 GLY A 4 -3.459 16.526 4.098 1.00 0.00 H ATOM 66 HA2 GLY A 4 -1.939 17.387 4.433 1.00 0.00 H ATOM 67 H GLY A 4 -3.078 15.098 5.941 1.00 0.00 H ATOM 68 N ARG A 5 -3.646 19.250 5.190 1.00 15.40 N ATOM 69 CA ARG A 5 -4.321 20.327 5.916 1.00 16.38 C ATOM 70 C ARG A 5 -5.790 20.009 6.264 1.00 18.34 C ATOM 71 O ARG A 5 -6.175 20.015 7.448 1.00 16.10 O ATOM 72 CB ARG A 5 -4.210 21.636 5.127 1.00 17.52 C ATOM 73 CG ARG A 5 -4.882 22.824 5.784 1.00 15.75 C ATOM 74 CD ARG A 5 -4.576 24.093 5.043 1.00 19.43 C ATOM 75 NE ARG A 5 -5.038 24.061 3.659 1.00 23.27 N ATOM 76 CZ ARG A 5 -6.290 24.312 3.280 1.00 25.05 C ATOM 77 NH1 ARG A 5 -7.222 24.605 4.178 1.00 22.95 N ATOM 78 NH2 ARG A 5 -6.602 24.306 1.994 1.00 25.90 N ATOM 79 HA ARG A 5 -3.811 20.434 6.873 1.00 0.00 H ATOM 80 HB2 ARG A 5 -3.153 21.869 5.001 1.00 0.00 H ATOM 81 HB3 ARG A 5 -4.666 21.484 4.149 1.00 0.00 H ATOM 82 HG2 ARG A 5 -5.960 22.666 5.790 1.00 0.00 H ATOM 83 HG3 ARG A 5 -4.524 22.914 6.809 1.00 0.00 H ATOM 84 HD2 ARG A 5 -3.497 24.249 5.048 1.00 0.00 H ATOM 85 HD3 ARG A 5 -5.064 24.923 5.555 1.00 0.00 H ATOM 86 HE ARG A 5 -4.344 23.827 2.920 1.00 0.00 H ATOM 87 HH12 ARG A 5 -8.197 24.799 3.871 1.00 0.00 H ATOM 88 HH11 ARG A 5 -6.978 24.640 5.188 1.00 0.00 H ATOM 89 HH22 ARG A 5 -7.579 24.502 1.695 1.00 0.00 H ATOM 90 HH21 ARG A 5 -5.871 24.106 1.282 1.00 0.00 H ATOM 91 H ARG A 5 -3.187 19.462 4.281 1.00 0.00 H ATOM 92 N CYS A 6 -6.611 19.736 5.246 1.00 19.02 N ATOM 93 CA CYS A 6 -8.026 19.440 5.476 1.00 18.38 C ATOM 94 C CYS A 6 -8.201 18.127 6.206 1.00 18.23 C ATOM 95 O CYS A 6 -9.108 17.991 7.023 1.00 18.41 O ATOM 96 CB CYS A 6 -8.836 19.487 4.169 1.00 18.71 C ATOM 97 SG CYS A 6 -8.887 21.150 3.428 1.00 22.27 S ATOM 98 HA CYS A 6 -8.425 20.222 6.121 1.00 0.00 H ATOM 99 HB2 CYS A 6 -9.857 19.168 4.380 1.00 0.00 H ATOM 100 HB3 CYS A 6 -8.383 18.801 3.454 1.00 0.00 H ATOM 101 H CYS A 6 -6.239 19.734 4.275 1.00 0.00 H ATOM 102 N GLU A 7 -7.315 17.171 5.937 1.00 18.50 N ATOM 103 CA GLU A 7 -7.351 15.878 6.623 1.00 18.33 C ATOM 104 C GLU A 7 -7.192 16.074 8.138 1.00 17.66 C ATOM 105 O GLU A 7 -7.914 15.479 8.939 1.00 15.77 O ATOM 106 CB GLU A 7 -6.219 14.991 6.132 1.00 20.12 C ATOM 107 CG GLU A 7 -6.207 13.633 6.793 1.00 23.07 C ATOM 108 CD GLU A 7 -5.003 12.796 6.392 1.00 24.78 C ATOM 109 OE1 GLU A 7 -3.976 13.381 5.980 1.00 23.78 O ATOM 110 OE2 GLU A 7 -5.096 11.550 6.495 1.00 25.21 O ATOM 111 HA GLU A 7 -8.311 15.408 6.409 1.00 0.00 H ATOM 112 HB2 GLU A 7 -6.326 14.853 5.056 1.00 0.00 H ATOM 113 HB3 GLU A 7 -5.272 15.488 6.341 1.00 0.00 H ATOM 114 HG2 GLU A 7 -6.192 13.771 7.874 1.00 0.00 H ATOM 115 HG3 GLU A 7 -7.114 13.099 6.509 1.00 0.00 H ATOM 116 H GLU A 7 -6.580 17.347 5.223 1.00 0.00 H ATOM 117 N LEU A 8 -6.227 16.906 8.519 1.00 16.84 N ATOM 118 CA LEU A 8 -5.991 17.203 9.926 1.00 16.19 C ATOM 119 C LEU A 8 -7.188 17.967 10.525 1.00 15.59 C ATOM 120 O LEU A 8 -7.624 17.677 11.641 1.00 16.55 O ATOM 121 CB LEU A 8 -4.704 18.020 10.092 1.00 14.03 C ATOM 122 CG LEU A 8 -4.397 18.351 11.556 1.00 15.34 C ATOM 123 CD1 LEU A 8 -4.196 17.070 12.389 1.00 15.39 C ATOM 124 CD2 LEU A 8 -3.187 19.234 11.605 1.00 16.67 C ATOM 125 HA LEU A 8 -5.877 16.260 10.462 1.00 0.00 H ATOM 126 HB2 LEU A 8 -3.872 17.447 9.682 1.00 0.00 H ATOM 127 HB3 LEU A 8 -4.809 18.953 9.538 1.00 0.00 H ATOM 128 HG LEU A 8 -5.244 18.877 11.995 1.00 0.00 H ATOM 129 HD21 LEU A 8 -2.341 18.714 11.157 1.00 0.00 H ATOM 130 HD22 LEU A 8 -3.386 20.151 11.051 1.00 0.00 H ATOM 131 HD23 LEU A 8 -2.958 19.477 12.643 1.00 0.00 H ATOM 132 HD11 LEU A 8 -5.104 16.468 12.352 1.00 0.00 H ATOM 133 HD12 LEU A 8 -3.363 16.499 11.980 1.00 0.00 H ATOM 134 HD13 LEU A 8 -3.980 17.340 13.423 1.00 0.00 H ATOM 135 H LEU A 8 -5.628 17.354 7.797 1.00 0.00 H ATOM 136 N ALA A 9 -7.684 18.965 9.799 1.00 14.50 N ATOM 137 CA ALA A 9 -8.836 19.736 10.253 1.00 14.65 C ATOM 138 C ALA A 9 -10.007 18.816 10.579 1.00 15.77 C ATOM 139 O ALA A 9 -10.614 18.928 11.642 1.00 15.99 O ATOM 140 CB ALA A 9 -9.250 20.763 9.190 1.00 14.71 C ATOM 141 HA ALA A 9 -8.551 20.268 11.161 1.00 0.00 H ATOM 142 HB1 ALA A 9 -8.420 21.444 9.002 1.00 0.00 H ATOM 143 HB2 ALA A 9 -9.512 20.244 8.268 1.00 0.00 H ATOM 144 HB3 ALA A 9 -10.111 21.328 9.548 1.00 0.00 H ATOM 145 H ALA A 9 -7.241 19.201 8.888 1.00 0.00 H ATOM 146 N ALA A 10 -10.271 17.860 9.691 1.00 16.20 N ATOM 147 CA ALA A 10 -11.369 16.923 9.882 1.00 18.12 C ATOM 148 C ALA A 10 -11.166 16.032 11.105 1.00 17.57 C ATOM 149 O ALA A 10 -12.110 15.790 11.847 1.00 19.72 O ATOM 150 CB ALA A 10 -11.571 16.074 8.618 1.00 18.95 C ATOM 151 HA ALA A 10 -12.269 17.510 10.064 1.00 0.00 H ATOM 152 HB1 ALA A 10 -11.802 16.727 7.776 1.00 0.00 H ATOM 153 HB2 ALA A 10 -10.659 15.516 8.407 1.00 0.00 H ATOM 154 HB3 ALA A 10 -12.395 15.379 8.777 1.00 0.00 H ATOM 155 H ALA A 10 -9.678 17.780 8.840 1.00 0.00 H ATOM 156 N ALA A 11 -9.944 15.552 11.326 1.00 17.51 N ATOM 157 CA ALA A 11 -9.649 14.691 12.478 1.00 15.68 C ATOM 158 C ALA A 11 -9.752 15.452 13.799 1.00 15.87 C ATOM 159 O ALA A 11 -10.213 14.906 14.800 1.00 15.20 O ATOM 160 CB ALA A 11 -8.264 14.082 12.335 1.00 18.18 C ATOM 161 HA ALA A 11 -10.396 13.897 12.495 1.00 0.00 H ATOM 162 HB1 ALA A 11 -8.223 13.486 11.423 1.00 0.00 H ATOM 163 HB2 ALA A 11 -7.522 14.879 12.284 1.00 0.00 H ATOM 164 HB3 ALA A 11 -8.058 13.446 13.196 1.00 0.00 H ATOM 165 H ALA A 11 -9.178 15.793 10.665 1.00 0.00 H ATOM 166 N MET A 12 -9.306 16.709 13.798 1.00 17.37 N ATOM 167 CA MET A 12 -9.362 17.549 14.992 1.00 16.69 C ATOM 168 C MET A 12 -10.801 17.883 15.337 1.00 16.78 C ATOM 169 O MET A 12 -11.191 17.852 16.499 1.00 17.70 O ATOM 170 CB MET A 12 -8.572 18.834 14.776 1.00 16.53 C ATOM 171 CG MET A 12 -7.076 18.637 14.832 1.00 15.59 C ATOM 172 SD MET A 12 -6.194 20.170 14.601 1.00 17.61 S ATOM 173 CE MET A 12 -4.627 19.773 15.427 1.00 17.48 C ATOM 174 HA MET A 12 -8.919 16.996 15.820 1.00 0.00 H ATOM 175 HB2 MET A 12 -8.831 19.238 13.797 1.00 0.00 H ATOM 176 HB3 MET A 12 -8.856 19.548 15.549 1.00 0.00 H ATOM 177 HG2 MET A 12 -6.783 17.940 14.047 1.00 0.00 H ATOM 178 HG3 MET A 12 -6.811 18.221 15.804 1.00 0.00 H ATOM 179 HE1 MET A 12 -4.820 19.529 16.472 1.00 0.00 H ATOM 180 HE2 MET A 12 -4.163 18.919 14.933 1.00 0.00 H ATOM 181 HE3 MET A 12 -3.960 20.633 15.371 1.00 0.00 H ATOM 182 H MET A 12 -8.907 17.103 12.922 1.00 0.00 H ATOM 183 N LYS A 13 -11.586 18.194 14.311 1.00 17.37 N ATOM 184 CA LYS A 13 -12.990 18.509 14.501 1.00 19.49 C ATOM 185 C LYS A 13 -13.700 17.321 15.112 1.00 19.69 C ATOM 186 O LYS A 13 -14.417 17.453 16.099 1.00 18.85 O ATOM 187 CB LYS A 13 -13.648 18.868 13.174 1.00 20.31 C ATOM 188 CG LYS A 13 -15.131 19.072 13.342 1.00 27.00 C ATOM 189 CD LYS A 13 -15.756 19.763 12.176 1.00 30.79 C ATOM 190 CE LYS A 13 -17.163 20.188 12.548 1.00 35.54 C ATOM 191 NZ LYS A 13 -17.702 21.159 11.553 1.00 40.39 N ATOM 192 HA LYS A 13 -13.064 19.367 15.170 1.00 0.00 H ATOM 193 HB2 LYS A 13 -13.203 19.787 12.793 1.00 0.00 H ATOM 194 HB3 LYS A 13 -13.478 18.061 12.462 1.00 0.00 H ATOM 195 HG2 LYS A 13 -15.605 18.098 13.465 1.00 0.00 H ATOM 196 HG3 LYS A 13 -15.301 19.673 14.235 1.00 0.00 H ATOM 197 HD2 LYS A 13 -15.167 20.641 11.913 1.00 0.00 H ATOM 198 HD3 LYS A 13 -15.793 19.083 11.325 1.00 0.00 H ATOM 199 HE2 LYS A 13 -17.147 20.656 13.532 1.00 0.00 H ATOM 200 HE3 LYS A 13 -17.807 19.309 12.575 1.00 0.00 H ATOM 201 HZ1 LYS A 13 -17.092 22.001 11.527 1.00 0.00 H ATOM 202 HZ2 LYS A 13 -17.722 20.715 10.613 1.00 0.00 H ATOM 203 HZ3 LYS A 13 -18.666 21.436 11.828 1.00 0.00 H ATOM 204 H LYS A 13 -11.186 18.212 13.351 1.00 0.00 H ATOM 205 N ARG A 14 -13.443 16.145 14.539 1.00 22.09 N ATOM 206 CA ARG A 14 -14.040 14.903 15.011 1.00 21.27 C ATOM 207 C ARG A 14 -13.679 14.631 16.463 1.00 21.59 C ATOM 208 O ARG A 14 -14.481 14.082 17.219 1.00 21.46 O ATOM 209 CB ARG A 14 -13.589 13.738 14.141 1.00 24.05 C ATOM 210 CG ARG A 14 -14.083 12.409 14.638 1.00 29.47 C ATOM 211 CD ARG A 14 -13.830 11.307 13.651 1.00 32.97 C ATOM 212 NE ARG A 14 -13.357 10.138 14.371 1.00 39.44 N ATOM 213 CZ ARG A 14 -12.093 9.741 14.357 1.00 41.55 C ATOM 214 NH1 ARG A 14 -11.197 10.411 13.639 1.00 44.67 N ATOM 215 NH2 ARG A 14 -11.706 8.744 15.140 1.00 44.00 N ATOM 216 HA ARG A 14 -15.123 15.008 14.943 1.00 0.00 H ATOM 217 HB2 ARG A 14 -13.966 13.893 13.130 1.00 0.00 H ATOM 218 HB3 ARG A 14 -12.499 13.719 14.123 1.00 0.00 H ATOM 219 HG2 ARG A 14 -13.572 12.170 15.571 1.00 0.00 H ATOM 220 HG3 ARG A 14 -15.155 12.478 14.821 1.00 0.00 H ATOM 221 HD2 ARG A 14 -13.076 11.625 12.931 1.00 0.00 H ATOM 222 HD3 ARG A 14 -14.754 11.066 13.125 1.00 0.00 H ATOM 223 HE ARG A 14 -14.043 9.586 14.924 1.00 0.00 H ATOM 224 HH12 ARG A 14 -10.204 10.101 13.626 1.00 0.00 H ATOM 225 HH11 ARG A 14 -11.489 11.245 13.090 1.00 0.00 H ATOM 226 HH22 ARG A 14 -10.714 8.430 15.131 1.00 0.00 H ATOM 227 HH21 ARG A 14 -12.394 8.275 15.763 1.00 0.00 H ATOM 228 H ARG A 14 -12.794 16.113 13.727 1.00 0.00 H ATOM 229 N HIS A 15 -12.478 15.044 16.853 1.00 20.86 N ATOM 230 CA HIS A 15 -12.011 14.847 18.218 1.00 20.55 C ATOM 231 C HIS A 15 -12.446 15.981 19.164 1.00 19.47 C ATOM 232 O HIS A 15 -11.988 16.054 20.306 1.00 19.63 O ATOM 233 CB HIS A 15 -10.501 14.593 18.240 1.00 20.09 C ATOM 234 CG HIS A 15 -10.120 13.214 17.785 1.00 22.30 C ATOM 235 ND1 HIS A 15 -9.619 12.951 16.528 1.00 22.25 N ATOM 236 CD2 HIS A 15 -10.161 12.020 18.426 1.00 21.41 C ATOM 237 CE1 HIS A 15 -9.365 11.660 16.412 1.00 20.08 C ATOM 238 NE2 HIS A 15 -9.684 11.073 17.551 1.00 22.75 N ATOM 239 HA HIS A 15 -12.496 13.953 18.609 1.00 0.00 H ATOM 240 HB2 HIS A 15 -10.019 15.319 17.585 1.00 0.00 H ATOM 241 HB3 HIS A 15 -10.142 14.732 19.260 1.00 0.00 H ATOM 242 HD2 HIS A 15 -10.507 11.844 19.444 1.00 0.00 H ATOM 243 HE1 HIS A 15 -8.962 11.165 15.529 1.00 0.00 H ATOM 244 H HIS A 15 -11.857 15.519 16.167 1.00 0.00 H ATOM 245 N GLY A 16 -13.321 16.856 18.661 1.00 19.54 N ATOM 246 CA GLY A 16 -13.903 17.931 19.447 1.00 17.86 C ATOM 247 C GLY A 16 -13.024 19.120 19.727 1.00 19.86 C ATOM 248 O GLY A 16 -13.208 19.754 20.765 1.00 20.62 O ATOM 249 HA3 GLY A 16 -14.206 17.512 20.406 1.00 0.00 H ATOM 250 HA2 GLY A 16 -14.784 18.290 18.914 1.00 0.00 H ATOM 251 H GLY A 16 -13.598 16.764 17.663 1.00 0.00 H ATOM 252 N LEU A 17 -12.123 19.480 18.819 1.00 21.46 N ATOM 253 CA LEU A 17 -11.269 20.643 19.065 1.00 20.74 C ATOM 254 C LEU A 17 -11.866 21.927 18.524 1.00 22.20 C ATOM 255 O LEU A 17 -11.457 23.007 18.930 1.00 23.33 O ATOM 256 CB LEU A 17 -9.874 20.453 18.495 1.00 19.49 C ATOM 257 CG LEU A 17 -8.911 19.675 19.387 1.00 19.30 C ATOM 258 CD1 LEU A 17 -7.522 19.727 18.749 1.00 21.34 C ATOM 259 CD2 LEU A 17 -8.869 20.257 20.796 1.00 18.53 C ATOM 260 HA LEU A 17 -11.198 20.730 20.149 1.00 0.00 H ATOM 261 HB2 LEU A 17 -9.965 19.919 17.549 1.00 0.00 H ATOM 262 HB3 LEU A 17 -9.446 21.439 18.314 1.00 0.00 H ATOM 263 HG LEU A 17 -9.251 18.643 19.474 1.00 0.00 H ATOM 264 HD21 LEU A 17 -8.538 21.295 20.749 1.00 0.00 H ATOM 265 HD22 LEU A 17 -9.865 20.211 21.237 1.00 0.00 H ATOM 266 HD23 LEU A 17 -8.174 19.680 21.406 1.00 0.00 H ATOM 267 HD11 LEU A 17 -7.562 19.277 17.757 1.00 0.00 H ATOM 268 HD12 LEU A 17 -7.201 20.765 18.665 1.00 0.00 H ATOM 269 HD13 LEU A 17 -6.817 19.176 19.371 1.00 0.00 H ATOM 270 H LEU A 17 -12.025 18.938 17.937 1.00 0.00 H ATOM 271 N ASP A 18 -12.816 21.835 17.602 1.00 22.22 N ATOM 272 CA ASP A 18 -13.431 23.049 17.080 1.00 23.96 C ATOM 273 C ASP A 18 -14.153 23.811 18.210 1.00 25.18 C ATOM 274 O ASP A 18 -15.091 23.296 18.842 1.00 25.81 O ATOM 275 CB ASP A 18 -14.386 22.728 15.927 1.00 26.01 C ATOM 276 CG ASP A 18 -14.880 23.987 15.185 1.00 31.60 C ATOM 277 OD1 ASP A 18 -14.349 25.121 15.400 1.00 29.48 O ATOM 278 OD2 ASP A 18 -15.818 23.828 14.359 1.00 35.68 O ATOM 279 HA ASP A 18 -12.645 23.692 16.684 1.00 0.00 H ATOM 280 HB2 ASP A 18 -13.868 22.086 15.215 1.00 0.00 H ATOM 281 HB3 ASP A 18 -15.251 22.200 16.329 1.00 0.00 H ATOM 282 H ASP A 18 -13.120 20.903 17.254 1.00 0.00 H ATOM 283 N ASN A 19 -13.637 25.006 18.493 1.00 23.40 N ATOM 284 CA ASN A 19 -14.122 25.914 19.525 1.00 22.27 C ATOM 285 C ASN A 19 -13.929 25.407 20.946 1.00 20.76 C ATOM 286 O ASN A 19 -14.574 25.887 21.878 1.00 19.31 O ATOM 287 CB ASN A 19 -15.535 26.399 19.243 1.00 28.20 C ATOM 288 CG ASN A 19 -15.545 27.545 18.250 1.00 34.17 C ATOM 289 OD1 ASN A 19 -15.124 28.665 18.575 1.00 38.83 O ATOM 290 ND2 ASN A 19 -15.962 27.263 17.020 1.00 35.93 N ATOM 291 HA ASN A 19 -13.476 26.790 19.469 1.00 0.00 H ATOM 292 HB2 ASN A 19 -16.118 25.573 18.836 1.00 0.00 H ATOM 293 HB3 ASN A 19 -15.987 26.735 20.176 1.00 0.00 H ATOM 294 HD22 ASN A 19 -16.307 26.308 16.794 1.00 0.00 H ATOM 295 HD21 ASN A 19 -15.943 27.997 16.283 1.00 0.00 H ATOM 296 H ASN A 19 -12.820 25.317 17.930 1.00 0.00 H ATOM 297 N TYR A 20 -13.012 24.460 21.121 1.00 19.16 N ATOM 298 CA TYR A 20 -12.698 23.973 22.452 1.00 17.22 C ATOM 299 C TYR A 20 -12.071 25.138 23.252 1.00 19.26 C ATOM 300 O TYR A 20 -11.093 25.762 22.794 1.00 16.46 O ATOM 301 CB TYR A 20 -11.757 22.772 22.378 1.00 16.25 C ATOM 302 CG TYR A 20 -11.557 22.132 23.713 1.00 15.73 C ATOM 303 CD1 TYR A 20 -12.464 21.193 24.196 1.00 18.92 C ATOM 304 CD2 TYR A 20 -10.524 22.542 24.546 1.00 16.67 C ATOM 305 CE1 TYR A 20 -12.351 20.687 25.490 1.00 18.38 C ATOM 306 CE2 TYR A 20 -10.399 22.053 25.832 1.00 17.52 C ATOM 307 CZ TYR A 20 -11.313 21.131 26.302 1.00 19.97 C ATOM 308 OH TYR A 20 -11.197 20.676 27.593 1.00 23.30 O ATOM 309 HA TYR A 20 -13.603 23.633 22.955 1.00 0.00 H ATOM 310 HB3 TYR A 20 -10.791 23.105 21.999 1.00 0.00 H ATOM 311 HB2 TYR A 20 -12.180 22.036 21.695 1.00 0.00 H ATOM 312 HD2 TYR A 20 -9.796 23.265 24.177 1.00 0.00 H ATOM 313 HE2 TYR A 20 -9.584 22.393 26.471 1.00 0.00 H ATOM 314 HE1 TYR A 20 -13.067 19.953 25.860 1.00 0.00 H ATOM 315 HD1 TYR A 20 -13.274 20.848 23.553 1.00 0.00 H ATOM 316 HH TYR A 20 -11.270 21.440 28.219 1.00 0.00 H ATOM 317 H TYR A 20 -12.515 24.065 20.297 1.00 0.00 H ATOM 318 N ARG A 21 -12.721 25.490 24.371 1.00 18.01 N ATOM 319 CA ARG A 21 -12.331 26.616 25.232 1.00 19.86 C ATOM 320 C ARG A 21 -12.298 27.938 24.438 1.00 18.24 C ATOM 321 O ARG A 21 -11.444 28.799 24.648 1.00 16.98 O ATOM 322 CB ARG A 21 -10.990 26.366 25.949 1.00 21.75 C ATOM 323 CG ARG A 21 -11.025 25.370 27.102 1.00 27.17 C ATOM 324 CD ARG A 21 -11.805 25.884 28.316 1.00 36.83 C ATOM 325 NE ARG A 21 -11.674 24.988 29.474 1.00 44.04 N ATOM 326 CZ ARG A 21 -12.182 23.752 29.551 1.00 47.85 C ATOM 327 NH1 ARG A 21 -12.884 23.233 28.547 1.00 50.05 N ATOM 328 NH2 ARG A 21 -11.942 23.001 30.618 1.00 50.46 N ATOM 329 HA ARG A 21 -13.094 26.703 26.006 1.00 0.00 H ATOM 330 HB2 ARG A 21 -10.280 25.996 25.209 1.00 0.00 H ATOM 331 HB3 ARG A 21 -10.639 27.320 26.342 1.00 0.00 H ATOM 332 HG2 ARG A 21 -11.494 24.450 26.752 1.00 0.00 H ATOM 333 HG3 ARG A 21 -10.001 25.160 27.411 1.00 0.00 H ATOM 334 HD2 ARG A 21 -12.859 25.964 28.050 1.00 0.00 H ATOM 335 HD3 ARG A 21 -11.425 26.869 28.588 1.00 0.00 H ATOM 336 HE ARG A 21 -11.146 25.342 30.297 1.00 0.00 H ATOM 337 HH12 ARG A 21 -13.271 22.271 28.626 1.00 0.00 H ATOM 338 HH11 ARG A 21 -13.046 23.790 27.684 1.00 0.00 H ATOM 339 HH22 ARG A 21 -12.337 22.041 30.677 1.00 0.00 H ATOM 340 HH21 ARG A 21 -11.359 23.373 31.395 1.00 0.00 H ATOM 341 H ARG A 21 -13.553 24.931 24.647 1.00 0.00 H ATOM 342 N GLY A 22 -13.199 28.051 23.469 1.00 16.87 N ATOM 343 CA GLY A 22 -13.297 29.262 22.681 1.00 15.12 C ATOM 344 C GLY A 22 -12.339 29.350 21.519 1.00 13.61 C ATOM 345 O GLY A 22 -12.387 30.342 20.810 1.00 15.85 O ATOM 346 HA3 GLY A 22 -13.108 30.110 23.340 1.00 0.00 H ATOM 347 HA2 GLY A 22 -14.312 29.328 22.288 1.00 0.00 H ATOM 348 H GLY A 22 -13.843 27.259 23.273 1.00 0.00 H ATOM 349 N TYR A 23 -11.525 28.330 21.266 1.00 13.11 N ATOM 350 CA TYR A 23 -10.573 28.405 20.161 1.00 10.75 C ATOM 351 C TYR A 23 -11.075 27.707 18.926 1.00 11.66 C ATOM 352 O TYR A 23 -11.169 26.486 18.893 1.00 13.19 O ATOM 353 CB TYR A 23 -9.219 27.820 20.564 1.00 9.98 C ATOM 354 CG TYR A 23 -8.491 28.631 21.618 1.00 10.50 C ATOM 355 CD1 TYR A 23 -7.630 29.672 21.255 1.00 8.33 C ATOM 356 CD2 TYR A 23 -8.668 28.353 22.989 1.00 9.97 C ATOM 357 CE1 TYR A 23 -6.957 30.420 22.230 1.00 8.94 C ATOM 358 CE2 TYR A 23 -7.999 29.086 23.976 1.00 9.76 C ATOM 359 CZ TYR A 23 -7.141 30.121 23.593 1.00 10.87 C ATOM 360 OH TYR A 23 -6.444 30.828 24.568 1.00 13.11 O ATOM 361 HA TYR A 23 -10.455 29.463 19.926 1.00 0.00 H ATOM 362 HB3 TYR A 23 -8.589 27.766 19.676 1.00 0.00 H ATOM 363 HB2 TYR A 23 -9.381 26.815 20.954 1.00 0.00 H ATOM 364 HD2 TYR A 23 -9.341 27.549 23.287 1.00 0.00 H ATOM 365 HE2 TYR A 23 -8.145 28.853 25.031 1.00 0.00 H ATOM 366 HE1 TYR A 23 -6.292 31.232 21.934 1.00 0.00 H ATOM 367 HD1 TYR A 23 -7.481 29.904 20.201 1.00 0.00 H ATOM 368 HH TYR A 23 -5.885 31.521 24.135 1.00 0.00 H ATOM 369 H TYR A 23 -11.566 27.475 21.857 1.00 0.00 H ATOM 370 N SER A 24 -11.331 28.478 17.884 1.00 12.35 N ATOM 371 CA SER A 24 -11.819 27.909 16.633 1.00 14.44 C ATOM 372 C SER A 24 -10.817 26.921 16.017 1.00 14.12 C ATOM 373 O SER A 24 -9.615 26.984 16.286 1.00 11.78 O ATOM 374 CB SER A 24 -12.140 29.017 15.641 1.00 15.77 C ATOM 375 OG SER A 24 -10.957 29.634 15.169 1.00 21.91 O ATOM 376 HA SER A 24 -12.728 27.352 16.862 1.00 0.00 H ATOM 377 HB2 SER A 24 -12.762 29.766 16.132 1.00 0.00 H ATOM 378 HB3 SER A 24 -12.683 28.593 14.796 1.00 0.00 H ATOM 379 HG SER A 24 -11.193 30.349 14.527 1.00 0.00 H ATOM 380 H SER A 24 -11.182 29.505 17.957 1.00 0.00 H ATOM 381 N LEU A 25 -11.327 26.053 15.147 1.00 13.58 N ATOM 382 CA LEU A 25 -10.537 25.013 14.483 1.00 14.32 C ATOM 383 C LEU A 25 -9.312 25.560 13.750 1.00 13.36 C ATOM 384 O LEU A 25 -8.260 24.898 13.745 1.00 12.72 O ATOM 385 CB LEU A 25 -11.416 24.218 13.516 1.00 14.92 C ATOM 386 CG LEU A 25 -10.906 22.878 12.984 1.00 13.84 C ATOM 387 CD1 LEU A 25 -10.647 21.911 14.117 1.00 13.22 C ATOM 388 CD2 LEU A 25 -11.967 22.323 12.050 1.00 15.41 C ATOM 389 HA LEU A 25 -10.163 24.358 15.270 1.00 0.00 H ATOM 390 HB2 LEU A 25 -12.358 24.022 14.028 1.00 0.00 H ATOM 391 HB3 LEU A 25 -11.600 24.856 12.652 1.00 0.00 H ATOM 392 HG LEU A 25 -9.963 23.019 12.456 1.00 0.00 H ATOM 393 HD21 LEU A 25 -12.898 22.185 12.600 1.00 0.00 H ATOM 394 HD22 LEU A 25 -12.129 23.022 11.230 1.00 0.00 H ATOM 395 HD23 LEU A 25 -11.634 21.365 11.652 1.00 0.00 H ATOM 396 HD11 LEU A 25 -9.897 22.331 14.787 1.00 0.00 H ATOM 397 HD12 LEU A 25 -11.573 21.741 14.667 1.00 0.00 H ATOM 398 HD13 LEU A 25 -10.285 20.966 13.711 1.00 0.00 H ATOM 399 H LEU A 25 -12.341 26.116 14.926 1.00 0.00 H ATOM 400 N GLY A 26 -9.452 26.721 13.098 1.00 12.19 N ATOM 401 CA GLY A 26 -8.326 27.330 12.393 1.00 12.53 C ATOM 402 C GLY A 26 -7.097 27.533 13.293 1.00 12.09 C ATOM 403 O GLY A 26 -5.970 27.415 12.830 1.00 11.15 O ATOM 404 HA3 GLY A 26 -8.640 28.300 12.008 1.00 0.00 H ATOM 405 HA2 GLY A 26 -8.046 26.684 11.561 1.00 0.00 H ATOM 406 H GLY A 26 -10.377 27.197 13.093 1.00 0.00 H ATOM 407 N ASN A 27 -7.316 27.841 14.574 1.00 11.04 N ATOM 408 CA ASN A 27 -6.220 28.046 15.540 1.00 12.06 C ATOM 409 C ASN A 27 -5.386 26.784 15.741 1.00 11.62 C ATOM 410 O ASN A 27 -4.156 26.839 15.801 1.00 10.51 O ATOM 411 CB ASN A 27 -6.767 28.470 16.903 1.00 11.91 C ATOM 412 CG ASN A 27 -7.222 29.899 16.913 1.00 13.25 C ATOM 413 OD1 ASN A 27 -6.405 30.814 16.853 1.00 11.12 O ATOM 414 ND2 ASN A 27 -8.536 30.106 16.977 1.00 14.31 N ATOM 415 HA ASN A 27 -5.589 28.830 15.121 1.00 0.00 H ATOM 416 HB2 ASN A 27 -7.613 27.831 17.156 1.00 0.00 H ATOM 417 HB3 ASN A 27 -5.983 28.346 17.650 1.00 0.00 H ATOM 418 HD22 ASN A 27 -9.188 29.297 17.026 1.00 0.00 H ATOM 419 HD21 ASN A 27 -8.910 31.076 16.978 1.00 0.00 H ATOM 420 H ASN A 27 -8.297 27.940 14.903 1.00 0.00 H ATOM 421 N TRP A 28 -6.078 25.659 15.886 1.00 11.95 N ATOM 422 CA TRP A 28 -5.444 24.356 16.102 1.00 12.06 C ATOM 423 C TRP A 28 -4.687 23.889 14.867 1.00 12.19 C ATOM 424 O TRP A 28 -3.581 23.366 14.986 1.00 11.02 O ATOM 425 CB TRP A 28 -6.494 23.334 16.537 1.00 8.85 C ATOM 426 CG TRP A 28 -7.134 23.731 17.830 1.00 9.91 C ATOM 427 CD1 TRP A 28 -8.357 24.309 17.993 1.00 11.16 C ATOM 428 CD2 TRP A 28 -6.588 23.564 19.143 1.00 11.71 C ATOM 429 NE1 TRP A 28 -8.610 24.503 19.333 1.00 12.15 N ATOM 430 CE2 TRP A 28 -7.541 24.050 20.059 1.00 12.25 C ATOM 431 CE3 TRP A 28 -5.376 23.043 19.636 1.00 12.84 C ATOM 432 CZ2 TRP A 28 -7.331 24.025 21.447 1.00 14.02 C ATOM 433 CZ3 TRP A 28 -5.169 23.023 21.008 1.00 13.33 C ATOM 434 CH2 TRP A 28 -6.142 23.510 21.901 1.00 12.96 C ATOM 435 HA TRP A 28 -4.708 24.458 16.899 1.00 0.00 H ATOM 436 HB2 TRP A 28 -7.262 23.263 15.767 1.00 0.00 H ATOM 437 HB3 TRP A 28 -6.015 22.363 16.661 1.00 0.00 H ATOM 438 HE1 TRP A 28 -9.474 24.925 19.729 1.00 0.00 H ATOM 439 HD1 TRP A 28 -9.035 24.578 17.183 1.00 0.00 H ATOM 440 HZ2 TRP A 28 -8.085 24.401 22.139 1.00 0.00 H ATOM 441 HH2 TRP A 28 -5.948 23.478 22.973 1.00 0.00 H ATOM 442 HZ3 TRP A 28 -4.235 22.622 21.402 1.00 0.00 H ATOM 443 HE3 TRP A 28 -4.616 22.663 18.954 1.00 0.00 H ATOM 444 H TRP A 28 -7.116 25.705 15.844 1.00 0.00 H ATOM 445 N VAL A 29 -5.287 24.061 13.691 1.00 10.39 N ATOM 446 CA VAL A 29 -4.615 23.677 12.454 1.00 10.94 C ATOM 447 C VAL A 29 -3.388 24.566 12.240 1.00 11.08 C ATOM 448 O VAL A 29 -2.328 24.084 11.885 1.00 12.98 O ATOM 449 CB VAL A 29 -5.572 23.751 11.215 1.00 12.51 C ATOM 450 CG1 VAL A 29 -4.826 23.402 9.931 1.00 10.78 C ATOM 451 CG2 VAL A 29 -6.759 22.798 11.399 1.00 10.10 C ATOM 452 HA VAL A 29 -4.301 22.638 12.550 1.00 0.00 H ATOM 453 HB VAL A 29 -5.943 24.773 11.137 1.00 0.00 H ATOM 454 HG11 VAL A 29 -4.007 24.106 9.785 1.00 0.00 H ATOM 455 HG12 VAL A 29 -4.427 22.390 10.007 1.00 0.00 H ATOM 456 HG13 VAL A 29 -5.512 23.461 9.086 1.00 0.00 H ATOM 457 HG21 VAL A 29 -6.391 21.777 11.504 1.00 0.00 H ATOM 458 HG22 VAL A 29 -7.314 23.079 12.294 1.00 0.00 H ATOM 459 HG23 VAL A 29 -7.413 22.862 10.529 1.00 0.00 H ATOM 460 H VAL A 29 -6.242 24.472 13.654 1.00 0.00 H ATOM 461 N CYS A 30 -3.517 25.858 12.508 1.00 9.42 N ATOM 462 CA CYS A 30 -2.398 26.779 12.356 1.00 9.37 C ATOM 463 C CYS A 30 -1.262 26.403 13.323 1.00 9.34 C ATOM 464 O CYS A 30 -0.082 26.399 12.952 1.00 8.35 O ATOM 465 CB CYS A 30 -2.868 28.221 12.610 1.00 8.53 C ATOM 466 SG CYS A 30 -1.598 29.494 12.379 1.00 12.73 S ATOM 467 HA CYS A 30 -2.018 26.709 11.337 1.00 0.00 H ATOM 468 HB2 CYS A 30 -3.227 28.284 13.637 1.00 0.00 H ATOM 469 HB3 CYS A 30 -3.689 28.435 11.926 1.00 0.00 H ATOM 470 H CYS A 30 -4.435 26.222 12.833 1.00 0.00 H ATOM 471 N ALA A 31 -1.636 26.092 14.566 1.00 10.61 N ATOM 472 CA ALA A 31 -0.683 25.695 15.598 1.00 11.36 C ATOM 473 C ALA A 31 0.102 24.448 15.164 1.00 12.11 C ATOM 474 O ALA A 31 1.329 24.431 15.246 1.00 11.95 O ATOM 475 CB ALA A 31 -1.419 25.428 16.905 1.00 10.54 C ATOM 476 HA ALA A 31 0.027 26.508 15.748 1.00 0.00 H ATOM 477 HB1 ALA A 31 -1.936 26.334 17.221 1.00 0.00 H ATOM 478 HB2 ALA A 31 -2.144 24.628 16.756 1.00 0.00 H ATOM 479 HB3 ALA A 31 -0.702 25.132 17.671 1.00 0.00 H ATOM 480 H ALA A 31 -2.646 26.134 14.809 1.00 0.00 H ATOM 481 N ALA A 32 -0.612 23.427 14.679 1.00 11.53 N ATOM 482 CA ALA A 32 0.005 22.177 14.218 1.00 10.26 C ATOM 483 C ALA A 32 0.961 22.419 13.045 1.00 9.90 C ATOM 484 O ALA A 32 2.060 21.880 13.022 1.00 10.73 O ATOM 485 CB ALA A 32 -1.077 21.170 13.833 1.00 10.29 C ATOM 486 HA ALA A 32 0.594 21.769 15.039 1.00 0.00 H ATOM 487 HB1 ALA A 32 -1.703 20.962 14.700 1.00 0.00 H ATOM 488 HB2 ALA A 32 -1.689 21.585 13.032 1.00 0.00 H ATOM 489 HB3 ALA A 32 -0.608 20.247 13.493 1.00 0.00 H ATOM 490 H ALA A 32 -1.646 23.522 14.626 1.00 0.00 H ATOM 491 N LYS A 33 0.558 23.270 12.106 1.00 9.62 N ATOM 492 CA LYS A 33 1.377 23.601 10.948 1.00 10.14 C ATOM 493 C LYS A 33 2.751 24.144 11.341 1.00 11.95 C ATOM 494 O LYS A 33 3.772 23.663 10.866 1.00 12.76 O ATOM 495 CB LYS A 33 0.678 24.655 10.098 1.00 12.01 C ATOM 496 CG LYS A 33 1.541 25.183 8.982 1.00 16.09 C ATOM 497 CD LYS A 33 1.770 24.101 7.956 1.00 20.09 C ATOM 498 CE LYS A 33 2.900 24.464 7.021 1.00 25.52 C ATOM 499 NZ LYS A 33 2.976 23.462 5.920 1.00 27.65 N ATOM 500 HA LYS A 33 1.515 22.675 10.390 1.00 0.00 H ATOM 501 HB2 LYS A 33 -0.218 24.212 9.664 1.00 0.00 H ATOM 502 HB3 LYS A 33 0.395 25.488 10.742 1.00 0.00 H ATOM 503 HG2 LYS A 33 1.044 26.030 8.510 1.00 0.00 H ATOM 504 HG3 LYS A 33 2.500 25.506 9.388 1.00 0.00 H ATOM 505 HD2 LYS A 33 2.017 23.171 8.469 1.00 0.00 H ATOM 506 HD3 LYS A 33 0.858 23.963 7.375 1.00 0.00 H ATOM 507 HE2 LYS A 33 3.840 24.470 7.572 1.00 0.00 H ATOM 508 HE3 LYS A 33 2.720 25.453 6.600 1.00 0.00 H ATOM 509 HZ1 LYS A 33 3.148 22.519 6.323 1.00 0.00 H ATOM 510 HZ2 LYS A 33 2.079 23.457 5.394 1.00 0.00 H ATOM 511 HZ3 LYS A 33 3.754 23.713 5.277 1.00 0.00 H ATOM 512 H LYS A 33 -0.377 23.716 12.202 1.00 0.00 H ATOM 513 N PHE A 34 2.775 25.143 12.216 1.00 12.43 N ATOM 514 CA PHE A 34 4.033 25.765 12.599 1.00 11.78 C ATOM 515 C PHE A 34 4.748 25.048 13.719 1.00 12.97 C ATOM 516 O PHE A 34 5.945 25.245 13.890 1.00 15.75 O ATOM 517 CB PHE A 34 3.822 27.240 12.902 1.00 11.70 C ATOM 518 CG PHE A 34 3.328 28.011 11.714 1.00 12.52 C ATOM 519 CD1 PHE A 34 4.014 27.936 10.495 1.00 12.22 C ATOM 520 CD2 PHE A 34 2.166 28.783 11.792 1.00 13.76 C ATOM 521 CE1 PHE A 34 3.552 28.614 9.370 1.00 13.05 C ATOM 522 CE2 PHE A 34 1.687 29.472 10.669 1.00 14.46 C ATOM 523 CZ PHE A 34 2.378 29.391 9.456 1.00 15.69 C ATOM 524 HA PHE A 34 4.702 25.680 11.743 1.00 0.00 H ATOM 525 HB2 PHE A 34 3.090 27.330 13.705 1.00 0.00 H ATOM 526 HB3 PHE A 34 4.770 27.669 13.226 1.00 0.00 H ATOM 527 HD2 PHE A 34 1.626 28.850 12.736 1.00 0.00 H ATOM 528 HE2 PHE A 34 0.778 30.069 10.741 1.00 0.00 H ATOM 529 HZ PHE A 34 2.011 29.926 8.580 1.00 0.00 H ATOM 530 HE1 PHE A 34 4.095 28.545 8.427 1.00 0.00 H ATOM 531 HD1 PHE A 34 4.923 27.338 10.426 1.00 0.00 H ATOM 532 H PHE A 34 1.885 25.484 12.632 1.00 0.00 H ATOM 533 N GLU A 35 4.043 24.220 14.481 1.00 10.39 N ATOM 534 CA GLU A 35 4.714 23.479 15.540 1.00 11.23 C ATOM 535 C GLU A 35 5.406 22.222 14.989 1.00 13.98 C ATOM 536 O GLU A 35 6.535 21.926 15.370 1.00 14.05 O ATOM 537 CB GLU A 35 3.730 23.029 16.627 1.00 10.30 C ATOM 538 CG GLU A 35 3.245 24.105 17.599 1.00 10.88 C ATOM 539 CD GLU A 35 4.319 24.664 18.528 1.00 13.80 C ATOM 540 OE1 GLU A 35 5.430 24.099 18.613 1.00 14.64 O ATOM 541 OE2 GLU A 35 4.039 25.679 19.199 1.00 15.80 O ATOM 542 HA GLU A 35 5.451 24.160 15.966 1.00 0.00 H ATOM 543 HB2 GLU A 35 2.854 22.614 16.129 1.00 0.00 H ATOM 544 HB3 GLU A 35 4.217 22.249 17.212 1.00 0.00 H ATOM 545 HG2 GLU A 35 2.839 24.931 17.015 1.00 0.00 H ATOM 546 HG3 GLU A 35 2.455 23.674 18.215 1.00 0.00 H ATOM 547 H GLU A 35 3.022 24.102 14.323 1.00 0.00 H ATOM 548 N SER A 36 4.784 21.538 14.030 1.00 12.14 N ATOM 549 CA SER A 36 5.351 20.278 13.568 1.00 12.54 C ATOM 550 C SER A 36 5.266 20.079 12.088 1.00 14.07 C ATOM 551 O SER A 36 5.671 19.020 11.608 1.00 13.44 O ATOM 552 CB SER A 36 4.549 19.140 14.169 1.00 14.70 C ATOM 553 OG SER A 36 3.216 19.185 13.667 1.00 12.67 O ATOM 554 HA SER A 36 6.400 20.298 13.865 1.00 0.00 H ATOM 555 HB2 SER A 36 4.533 19.239 15.254 1.00 0.00 H ATOM 556 HB3 SER A 36 5.008 18.189 13.899 1.00 0.00 H ATOM 557 HG SER A 36 2.801 20.049 13.913 1.00 0.00 H ATOM 558 H SER A 36 3.902 21.900 13.615 1.00 0.00 H ATOM 559 N ASN A 37 4.683 21.040 11.381 1.00 13.39 N ATOM 560 CA ASN A 37 4.473 20.944 9.945 1.00 14.74 C ATOM 561 C ASN A 37 3.574 19.754 9.598 1.00 13.01 C ATOM 562 O ASN A 37 3.755 19.114 8.561 1.00 14.55 O ATOM 563 CB ASN A 37 5.793 20.848 9.202 1.00 19.37 C ATOM 564 CG ASN A 37 5.659 21.239 7.760 1.00 24.96 C ATOM 565 OD1 ASN A 37 4.954 22.187 7.434 1.00 27.63 O ATOM 566 ND2 ASN A 37 6.312 20.494 6.877 1.00 31.46 N ATOM 567 HA ASN A 37 3.970 21.857 9.625 1.00 0.00 H ATOM 568 HB2 ASN A 37 6.515 21.510 9.680 1.00 0.00 H ATOM 569 HB3 ASN A 37 6.153 19.821 9.256 1.00 0.00 H ATOM 570 HD22 ASN A 37 6.899 19.699 7.201 1.00 0.00 H ATOM 571 HD21 ASN A 37 6.237 20.705 5.861 1.00 0.00 H ATOM 572 H ASN A 37 4.363 21.897 11.875 1.00 0.00 H ATOM 573 N PHE A 38 2.659 19.435 10.516 1.00 12.23 N ATOM 574 CA PHE A 38 1.669 18.358 10.386 1.00 13.36 C ATOM 575 C PHE A 38 2.266 16.951 10.514 1.00 13.95 C ATOM 576 O PHE A 38 1.604 15.978 10.167 1.00 15.28 O ATOM 577 CB PHE A 38 0.928 18.456 9.051 1.00 12.92 C ATOM 578 CG PHE A 38 0.207 19.752 8.842 1.00 13.18 C ATOM 579 CD1 PHE A 38 -0.459 20.368 9.892 1.00 11.51 C ATOM 580 CD2 PHE A 38 0.118 20.306 7.557 1.00 13.33 C ATOM 581 CE1 PHE A 38 -1.224 21.519 9.675 1.00 15.97 C ATOM 582 CE2 PHE A 38 -0.635 21.447 7.323 1.00 16.64 C ATOM 583 CZ PHE A 38 -1.317 22.060 8.384 1.00 15.41 C ATOM 584 HA PHE A 38 0.981 18.501 11.219 1.00 0.00 H ATOM 585 HB2 PHE A 38 1.654 18.335 8.247 1.00 0.00 H ATOM 586 HB3 PHE A 38 0.198 17.647 9.005 1.00 0.00 H ATOM 587 HD2 PHE A 38 0.648 19.833 6.730 1.00 0.00 H ATOM 588 HE2 PHE A 38 -0.696 21.866 6.318 1.00 0.00 H ATOM 589 HZ PHE A 38 -1.917 22.953 8.206 1.00 0.00 H ATOM 590 HE1 PHE A 38 -1.746 21.994 10.506 1.00 0.00 H ATOM 591 HD1 PHE A 38 -0.385 19.951 10.896 1.00 0.00 H ATOM 592 H PHE A 38 2.646 19.994 11.393 1.00 0.00 H ATOM 593 N ASN A 39 3.484 16.847 11.042 1.00 13.75 N ATOM 594 CA ASN A 39 4.174 15.563 11.214 1.00 11.38 C ATOM 595 C ASN A 39 3.990 15.034 12.637 1.00 11.34 C ATOM 596 O ASN A 39 4.454 15.646 13.603 1.00 12.22 O ATOM 597 CB ASN A 39 5.665 15.752 10.892 1.00 10.96 C ATOM 598 CG ASN A 39 6.444 14.452 10.868 1.00 11.28 C ATOM 599 OD1 ASN A 39 5.880 13.360 10.962 1.00 13.19 O ATOM 600 ND2 ASN A 39 7.757 14.568 10.717 1.00 14.73 N ATOM 601 HA ASN A 39 3.746 14.828 10.533 1.00 0.00 H ATOM 602 HB2 ASN A 39 5.750 16.225 9.914 1.00 0.00 H ATOM 603 HB3 ASN A 39 6.102 16.404 11.648 1.00 0.00 H ATOM 604 HD22 ASN A 39 8.191 15.510 10.642 1.00 0.00 H ATOM 605 HD21 ASN A 39 8.353 13.717 10.674 1.00 0.00 H ATOM 606 H ASN A 39 3.969 17.715 11.346 1.00 0.00 H ATOM 607 N THR A 40 3.314 13.894 12.763 1.00 11.78 N ATOM 608 CA THR A 40 3.057 13.289 14.077 1.00 13.04 C ATOM 609 C THR A 40 4.342 12.809 14.778 1.00 13.06 C ATOM 610 O THR A 40 4.371 12.698 16.000 1.00 12.40 O ATOM 611 CB THR A 40 2.083 12.058 13.984 1.00 15.63 C ATOM 612 OG1 THR A 40 2.664 11.017 13.179 1.00 15.51 O ATOM 613 CG2 THR A 40 0.721 12.462 13.401 1.00 17.27 C ATOM 614 HA THR A 40 2.601 14.088 14.661 1.00 0.00 H ATOM 615 HB THR A 40 1.926 11.687 14.997 1.00 0.00 H ATOM 616 HG1 THR A 40 2.835 11.363 12.267 1.00 0.00 H ATOM 617 HG23 THR A 40 0.284 13.251 14.014 1.00 0.00 H ATOM 618 HG21 THR A 40 0.857 12.825 12.382 1.00 0.00 H ATOM 619 HG22 THR A 40 0.059 11.596 13.395 1.00 0.00 H ATOM 620 H THR A 40 2.958 13.419 11.909 1.00 0.00 H ATOM 621 N GLN A 41 5.402 12.557 14.012 1.00 13.94 N ATOM 622 CA GLN A 41 6.650 12.033 14.572 1.00 13.36 C ATOM 623 C GLN A 41 7.685 13.102 14.919 1.00 14.13 C ATOM 624 O GLN A 41 8.799 12.744 15.309 1.00 14.51 O ATOM 625 CB GLN A 41 7.279 11.051 13.584 1.00 14.75 C ATOM 626 CG GLN A 41 6.446 9.822 13.259 1.00 14.31 C ATOM 627 CD GLN A 41 7.264 8.809 12.473 1.00 16.53 C ATOM 628 OE1 GLN A 41 8.171 8.175 13.016 1.00 19.32 O ATOM 629 NE2 GLN A 41 7.001 8.710 11.179 1.00 16.29 N ATOM 630 HA GLN A 41 6.373 11.548 15.508 1.00 0.00 H ATOM 631 HB2 GLN A 41 7.466 11.586 12.653 1.00 0.00 H ATOM 632 HB3 GLN A 41 8.226 10.713 14.004 1.00 0.00 H ATOM 633 HG2 GLN A 41 6.106 9.364 14.188 1.00 0.00 H ATOM 634 HG3 GLN A 41 5.582 10.122 12.666 1.00 0.00 H ATOM 635 HE22 GLN A 41 6.226 9.264 10.762 1.00 0.00 H ATOM 636 HE21 GLN A 41 7.570 8.079 10.580 1.00 0.00 H ATOM 637 H GLN A 41 5.342 12.737 12.989 1.00 0.00 H ATOM 638 N ALA A 42 7.336 14.387 14.810 1.00 11.94 N ATOM 639 CA ALA A 42 8.275 15.483 15.100 1.00 12.72 C ATOM 640 C ALA A 42 8.696 15.511 16.573 1.00 13.34 C ATOM 641 O ALA A 42 7.882 15.303 17.475 1.00 11.91 O ATOM 642 CB ALA A 42 7.661 16.839 14.723 1.00 11.77 C ATOM 643 HA ALA A 42 9.164 15.300 14.496 1.00 0.00 H ATOM 644 HB1 ALA A 42 7.427 16.847 13.658 1.00 0.00 H ATOM 645 HB2 ALA A 42 6.748 16.995 15.298 1.00 0.00 H ATOM 646 HB3 ALA A 42 8.373 17.633 14.946 1.00 0.00 H ATOM 647 H ALA A 42 6.368 14.621 14.510 1.00 0.00 H ATOM 648 N THR A 43 9.988 15.723 16.796 1.00 12.25 N ATOM 649 CA THR A 43 10.544 15.832 18.134 1.00 12.69 C ATOM 650 C THR A 43 11.565 16.941 18.131 1.00 13.08 C ATOM 651 O THR A 43 12.271 17.134 17.139 1.00 13.87 O ATOM 652 CB THR A 43 11.288 14.547 18.608 1.00 12.35 C ATOM 653 OG1 THR A 43 12.329 14.233 17.678 1.00 13.59 O ATOM 654 CG2 THR A 43 10.342 13.350 18.773 1.00 12.41 C ATOM 655 HA THR A 43 9.705 16.010 18.807 1.00 0.00 H ATOM 656 HB THR A 43 11.713 14.750 19.591 1.00 0.00 H ATOM 657 HG1 THR A 43 11.935 14.077 16.783 1.00 0.00 H ATOM 658 HG23 THR A 43 9.556 13.605 19.484 1.00 0.00 H ATOM 659 HG21 THR A 43 9.897 13.105 17.809 1.00 0.00 H ATOM 660 HG22 THR A 43 10.904 12.493 19.143 1.00 0.00 H ATOM 661 H THR A 43 10.627 15.815 15.981 1.00 0.00 H ATOM 662 N ASN A 44 11.639 17.674 19.231 1.00 13.81 N ATOM 663 CA ASN A 44 12.613 18.750 19.356 1.00 15.18 C ATOM 664 C ASN A 44 13.052 18.893 20.786 1.00 14.16 C ATOM 665 O ASN A 44 12.232 18.935 21.683 1.00 12.48 O ATOM 666 CB ASN A 44 12.051 20.071 18.841 1.00 18.37 C ATOM 667 CG ASN A 44 11.931 20.099 17.324 1.00 21.46 C ATOM 668 OD1 ASN A 44 12.936 20.201 16.613 1.00 23.98 O ATOM 669 ND2 ASN A 44 10.703 19.998 16.823 1.00 18.96 N ATOM 670 HA ASN A 44 13.477 18.492 18.744 1.00 0.00 H ATOM 671 HB2 ASN A 44 11.062 20.223 19.273 1.00 0.00 H ATOM 672 HB3 ASN A 44 12.712 20.879 19.155 1.00 0.00 H ATOM 673 HD22 ASN A 44 9.886 19.914 17.461 1.00 0.00 H ATOM 674 HD21 ASN A 44 10.560 20.003 15.793 1.00 0.00 H ATOM 675 H ASN A 44 10.990 17.478 20.020 1.00 0.00 H ATOM 676 N ARG A 45 14.361 18.945 20.983 1.00 15.45 N ATOM 677 CA ARG A 45 14.951 19.066 22.310 1.00 18.68 C ATOM 678 C ARG A 45 15.090 20.535 22.733 1.00 18.42 C ATOM 679 O ARG A 45 15.389 21.409 21.915 1.00 20.16 O ATOM 680 CB ARG A 45 16.331 18.410 22.291 1.00 20.13 C ATOM 681 CG ARG A 45 16.954 18.211 23.644 1.00 26.79 C ATOM 682 CD ARG A 45 16.163 17.191 24.412 1.00 31.27 C ATOM 683 NE ARG A 45 16.986 16.410 25.327 1.00 36.75 N ATOM 684 CZ ARG A 45 17.910 15.531 24.945 1.00 37.64 C ATOM 685 NH1 ARG A 45 18.153 15.321 23.652 1.00 37.61 N ATOM 686 NH2 ARG A 45 18.508 14.775 25.858 1.00 38.88 N ATOM 687 HA ARG A 45 14.297 18.572 23.029 1.00 0.00 H ATOM 688 HB2 ARG A 45 16.236 17.434 21.814 1.00 0.00 H ATOM 689 HB3 ARG A 45 16.997 19.038 21.700 1.00 0.00 H ATOM 690 HG2 ARG A 45 17.980 17.862 23.525 1.00 0.00 H ATOM 691 HG3 ARG A 45 16.954 19.156 24.187 1.00 0.00 H ATOM 692 HD2 ARG A 45 15.689 16.512 23.703 1.00 0.00 H ATOM 693 HD3 ARG A 45 15.395 17.707 24.988 1.00 0.00 H ATOM 694 HE ARG A 45 16.842 16.549 26.348 1.00 0.00 H ATOM 695 HH12 ARG A 45 18.877 14.632 23.364 1.00 0.00 H ATOM 696 HH11 ARG A 45 17.619 15.846 22.931 1.00 0.00 H ATOM 697 HH22 ARG A 45 19.231 14.085 25.570 1.00 0.00 H ATOM 698 HH21 ARG A 45 18.253 14.872 26.862 1.00 0.00 H ATOM 699 H ARG A 45 14.993 18.898 20.158 1.00 0.00 H ATOM 700 N ASN A 46 14.862 20.800 24.011 1.00 19.10 N ATOM 701 CA ASN A 46 14.995 22.146 24.553 1.00 21.71 C ATOM 702 C ASN A 46 16.251 22.228 25.430 1.00 22.61 C ATOM 703 O ASN A 46 16.787 21.198 25.836 1.00 23.03 O ATOM 704 CB ASN A 46 13.747 22.524 25.367 1.00 22.91 C ATOM 705 CG ASN A 46 12.451 22.414 24.557 1.00 22.55 C ATOM 706 OD1 ASN A 46 11.499 21.762 24.983 1.00 26.28 O ATOM 707 ND2 ASN A 46 12.417 23.044 23.392 1.00 25.11 N ATOM 708 HA ASN A 46 15.090 22.852 23.728 1.00 0.00 H ATOM 709 HB2 ASN A 46 13.678 21.858 26.227 1.00 0.00 H ATOM 710 HB3 ASN A 46 13.855 23.552 25.713 1.00 0.00 H ATOM 711 HD22 ASN A 46 13.245 23.585 23.069 1.00 0.00 H ATOM 712 HD21 ASN A 46 11.563 22.998 22.801 1.00 0.00 H ATOM 713 H ASN A 46 14.580 20.025 24.645 1.00 0.00 H ATOM 714 N THR A 47 16.672 23.444 25.767 1.00 24.60 N ATOM 715 CA THR A 47 17.881 23.670 26.570 1.00 26.75 C ATOM 716 C THR A 47 17.769 23.152 28.001 1.00 25.80 C ATOM 717 O THR A 47 18.766 22.721 28.573 1.00 26.17 O ATOM 718 CB THR A 47 18.295 25.164 26.583 1.00 29.53 C ATOM 719 OG1 THR A 47 17.209 25.972 27.056 1.00 32.80 O ATOM 720 CG2 THR A 47 18.677 25.613 25.178 1.00 30.38 C ATOM 721 HA THR A 47 18.659 23.088 26.076 1.00 0.00 H ATOM 722 HB THR A 47 19.151 25.281 27.248 1.00 0.00 H ATOM 723 HG1 THR A 47 17.484 26.923 27.060 1.00 0.00 H ATOM 724 HG23 THR A 47 19.503 25.001 24.814 1.00 0.00 H ATOM 725 HG21 THR A 47 17.819 25.499 24.516 1.00 0.00 H ATOM 726 HG22 THR A 47 18.982 26.659 25.203 1.00 0.00 H ATOM 727 H THR A 47 16.123 24.268 25.449 1.00 0.00 H ATOM 728 N ASP A 48 16.569 23.158 28.572 1.00 23.29 N ATOM 729 CA ASP A 48 16.414 22.668 29.932 1.00 23.31 C ATOM 730 C ASP A 48 16.461 21.136 30.008 1.00 25.14 C ATOM 731 O ASP A 48 16.271 20.567 31.083 1.00 27.00 O ATOM 732 CB ASP A 48 15.137 23.214 30.587 1.00 23.91 C ATOM 733 CG ASP A 48 13.856 22.716 29.929 1.00 25.18 C ATOM 734 OD1 ASP A 48 13.912 22.025 28.894 1.00 27.17 O ATOM 735 OD2 ASP A 48 12.770 23.033 30.451 1.00 27.30 O ATOM 736 HA ASP A 48 17.267 23.044 30.497 1.00 0.00 H ATOM 737 HB2 ASP A 48 15.128 22.910 31.634 1.00 0.00 H ATOM 738 HB3 ASP A 48 15.156 24.302 30.526 1.00 0.00 H ATOM 739 H ASP A 48 15.744 23.512 28.048 1.00 0.00 H ATOM 740 N GLY A 49 16.689 20.470 28.874 1.00 23.77 N ATOM 741 CA GLY A 49 16.763 19.017 28.868 1.00 19.32 C ATOM 742 C GLY A 49 15.460 18.333 28.496 1.00 18.81 C ATOM 743 O GLY A 49 15.440 17.118 28.286 1.00 21.26 O ATOM 744 HA3 GLY A 49 17.052 18.684 29.865 1.00 0.00 H ATOM 745 HA2 GLY A 49 17.526 18.716 28.150 1.00 0.00 H ATOM 746 H GLY A 49 16.815 20.995 27.985 1.00 0.00 H ATOM 747 N SER A 50 14.360 19.074 28.446 1.00 15.73 N ATOM 748 CA SER A 50 13.097 18.471 28.074 1.00 13.86 C ATOM 749 C SER A 50 12.992 18.353 26.545 1.00 12.72 C ATOM 750 O SER A 50 13.811 18.900 25.807 1.00 13.84 O ATOM 751 CB SER A 50 11.940 19.291 28.617 1.00 15.17 C ATOM 752 OG SER A 50 11.904 20.551 27.975 1.00 17.97 O ATOM 753 HA SER A 50 13.049 17.471 28.506 1.00 0.00 H ATOM 754 HB2 SER A 50 12.070 19.434 29.690 1.00 0.00 H ATOM 755 HB3 SER A 50 11.004 18.764 28.433 1.00 0.00 H ATOM 756 HG SER A 50 12.754 21.030 28.144 1.00 0.00 H ATOM 757 H SER A 50 14.405 20.088 28.674 1.00 0.00 H ATOM 758 N THR A 51 11.974 17.645 26.077 1.00 12.65 N ATOM 759 CA THR A 51 11.763 17.449 24.643 1.00 10.73 C ATOM 760 C THR A 51 10.286 17.663 24.295 1.00 10.32 C ATOM 761 O THR A 51 9.410 17.381 25.110 1.00 9.19 O ATOM 762 CB THR A 51 12.184 16.004 24.229 1.00 10.66 C ATOM 763 OG1 THR A 51 13.571 15.788 24.531 1.00 10.37 O ATOM 764 CG2 THR A 51 11.967 15.759 22.739 1.00 10.34 C ATOM 765 HA THR A 51 12.373 18.172 24.102 1.00 0.00 H ATOM 766 HB THR A 51 11.560 15.311 24.794 1.00 0.00 H ATOM 767 HG1 THR A 51 13.718 15.904 25.503 1.00 0.00 H ATOM 768 HG23 THR A 51 10.917 15.920 22.495 1.00 0.00 H ATOM 769 HG21 THR A 51 12.585 16.450 22.165 1.00 0.00 H ATOM 770 HG22 THR A 51 12.245 14.733 22.496 1.00 0.00 H ATOM 771 H THR A 51 11.306 17.216 26.749 1.00 0.00 H ATOM 772 N ASP A 52 10.031 18.241 23.123 1.00 10.37 N ATOM 773 CA ASP A 52 8.674 18.463 22.624 1.00 10.12 C ATOM 774 C ASP A 52 8.299 17.320 21.679 1.00 9.50 C ATOM 775 O ASP A 52 9.091 16.959 20.823 1.00 8.69 O ATOM 776 CB ASP A 52 8.602 19.801 21.908 1.00 11.18 C ATOM 777 CG ASP A 52 9.000 20.950 22.806 1.00 15.86 C ATOM 778 OD1 ASP A 52 8.691 20.924 24.008 1.00 13.66 O ATOM 779 OD2 ASP A 52 9.628 21.891 22.306 1.00 23.65 O ATOM 780 HA ASP A 52 7.969 18.483 23.455 1.00 0.00 H ATOM 781 HB2 ASP A 52 9.273 19.777 21.050 1.00 0.00 H ATOM 782 HB3 ASP A 52 7.580 19.961 21.564 1.00 0.00 H ATOM 783 H ASP A 52 10.833 18.548 22.536 1.00 0.00 H ATOM 784 N TYR A 53 7.076 16.800 21.798 1.00 10.12 N ATOM 785 CA TYR A 53 6.671 15.628 21.016 1.00 10.94 C ATOM 786 C TYR A 53 5.382 15.767 20.227 1.00 10.86 C ATOM 787 O TYR A 53 4.358 16.224 20.739 1.00 12.05 O ATOM 788 CB TYR A 53 6.437 14.430 21.955 1.00 10.76 C ATOM 789 CG TYR A 53 7.667 13.939 22.667 1.00 12.29 C ATOM 790 CD1 TYR A 53 8.081 14.529 23.871 1.00 12.33 C ATOM 791 CD2 TYR A 53 8.448 12.917 22.122 1.00 10.39 C ATOM 792 CE1 TYR A 53 9.249 14.119 24.510 1.00 12.79 C ATOM 793 CE2 TYR A 53 9.618 12.497 22.757 1.00 12.36 C ATOM 794 CZ TYR A 53 10.008 13.104 23.943 1.00 12.33 C ATOM 795 OH TYR A 53 11.166 12.718 24.554 1.00 14.74 O ATOM 796 HA TYR A 53 7.492 15.500 20.310 1.00 0.00 H ATOM 797 HB3 TYR A 53 6.036 13.607 21.363 1.00 0.00 H ATOM 798 HB2 TYR A 53 5.705 14.725 22.706 1.00 0.00 H ATOM 799 HD2 TYR A 53 8.140 12.442 21.190 1.00 0.00 H ATOM 800 HE2 TYR A 53 10.221 11.698 22.325 1.00 0.00 H ATOM 801 HE1 TYR A 53 9.563 14.589 25.442 1.00 0.00 H ATOM 802 HD1 TYR A 53 7.478 15.322 24.314 1.00 0.00 H ATOM 803 HH TYR A 53 11.293 13.247 25.381 1.00 0.00 H ATOM 804 H TYR A 53 6.398 17.234 22.457 1.00 0.00 H ATOM 805 N GLY A 54 5.436 15.267 18.998 1.00 10.22 N ATOM 806 CA GLY A 54 4.254 15.159 18.167 1.00 11.34 C ATOM 807 C GLY A 54 3.816 16.366 17.387 1.00 10.15 C ATOM 808 O GLY A 54 4.470 17.403 17.307 1.00 10.18 O ATOM 809 HA3 GLY A 54 3.426 14.878 18.818 1.00 0.00 H ATOM 810 HA2 GLY A 54 4.437 14.360 17.449 1.00 0.00 H ATOM 811 H GLY A 54 6.351 14.945 18.622 1.00 0.00 H ATOM 812 N ILE A 55 2.619 16.185 16.834 1.00 11.78 N ATOM 813 CA ILE A 55 1.960 17.160 15.990 1.00 12.69 C ATOM 814 C ILE A 55 1.757 18.515 16.693 1.00 11.94 C ATOM 815 O ILE A 55 1.844 19.559 16.047 1.00 12.42 O ATOM 816 CB ILE A 55 0.636 16.561 15.377 1.00 12.42 C ATOM 817 CG1 ILE A 55 0.235 17.357 14.133 1.00 14.81 C ATOM 818 CG2 ILE A 55 -0.493 16.453 16.414 1.00 11.77 C ATOM 819 CD1 ILE A 55 -0.358 16.502 13.069 1.00 19.17 C ATOM 820 HA ILE A 55 2.623 17.382 15.154 1.00 0.00 H ATOM 821 HB ILE A 55 0.831 15.534 15.067 1.00 0.00 H ATOM 822 HG12 ILE A 55 -0.497 18.111 14.422 1.00 0.00 H ATOM 823 HG13 ILE A 55 1.122 17.848 13.732 1.00 0.00 H ATOM 824 HD11 ILE A 55 0.368 15.748 12.764 1.00 0.00 H ATOM 825 HD12 ILE A 55 -1.252 16.012 13.455 1.00 0.00 H ATOM 826 HD13 ILE A 55 -0.623 17.122 12.212 1.00 0.00 H ATOM 827 HG21 ILE A 55 -0.175 15.803 17.229 1.00 0.00 H ATOM 828 HG22 ILE A 55 -0.721 17.444 16.806 1.00 0.00 H ATOM 829 HG23 ILE A 55 -1.381 16.035 15.940 1.00 0.00 H ATOM 830 H ILE A 55 2.126 15.288 17.019 1.00 0.00 H ATOM 831 N LEU A 56 1.546 18.489 18.012 1.00 11.94 N ATOM 832 CA LEU A 56 1.349 19.714 18.783 1.00 12.12 C ATOM 833 C LEU A 56 2.536 20.034 19.678 1.00 12.88 C ATOM 834 O LEU A 56 2.455 20.917 20.523 1.00 13.81 O ATOM 835 CB LEU A 56 0.032 19.687 19.569 1.00 13.30 C ATOM 836 CG LEU A 56 -1.233 19.868 18.707 1.00 13.78 C ATOM 837 CD1 LEU A 56 -2.464 19.688 19.563 1.00 15.59 C ATOM 838 CD2 LEU A 56 -1.252 21.243 18.051 1.00 13.48 C ATOM 839 HA LEU A 56 1.277 20.527 18.061 1.00 0.00 H ATOM 840 HB2 LEU A 56 -0.039 18.727 20.081 1.00 0.00 H ATOM 841 HB3 LEU A 56 0.059 20.489 20.306 1.00 0.00 H ATOM 842 HG LEU A 56 -1.225 19.114 17.920 1.00 0.00 H ATOM 843 HD21 LEU A 56 -1.240 22.013 18.823 1.00 0.00 H ATOM 844 HD22 LEU A 56 -0.374 21.352 17.414 1.00 0.00 H ATOM 845 HD23 LEU A 56 -2.155 21.344 17.449 1.00 0.00 H ATOM 846 HD11 LEU A 56 -2.461 18.687 19.995 1.00 0.00 H ATOM 847 HD12 LEU A 56 -2.461 20.430 20.361 1.00 0.00 H ATOM 848 HD13 LEU A 56 -3.355 19.817 18.948 1.00 0.00 H ATOM 849 H LEU A 56 1.521 17.572 18.503 1.00 0.00 H ATOM 850 N GLN A 57 3.642 19.320 19.477 1.00 11.87 N ATOM 851 CA GLN A 57 4.886 19.567 20.213 1.00 10.86 C ATOM 852 C GLN A 57 4.671 19.758 21.716 1.00 9.15 C ATOM 853 O GLN A 57 5.040 20.784 22.276 1.00 9.80 O ATOM 854 CB GLN A 57 5.597 20.784 19.606 1.00 10.28 C ATOM 855 CG GLN A 57 6.198 20.516 18.243 1.00 10.25 C ATOM 856 CD GLN A 57 7.388 19.566 18.311 1.00 11.90 C ATOM 857 OE1 GLN A 57 8.504 19.961 18.655 1.00 11.99 O ATOM 858 NE2 GLN A 57 7.151 18.305 17.984 1.00 12.21 N ATOM 859 HA GLN A 57 5.509 18.678 20.113 1.00 0.00 H ATOM 860 HB2 GLN A 57 4.874 21.594 19.511 1.00 0.00 H ATOM 861 HB3 GLN A 57 6.396 21.089 20.282 1.00 0.00 H ATOM 862 HG2 GLN A 57 5.434 20.075 17.603 1.00 0.00 H ATOM 863 HG3 GLN A 57 6.528 21.462 17.813 1.00 0.00 H ATOM 864 HE22 GLN A 57 6.194 18.013 17.699 1.00 0.00 H ATOM 865 HE21 GLN A 57 7.921 17.607 18.012 1.00 0.00 H ATOM 866 H GLN A 57 3.623 18.557 18.770 1.00 0.00 H ATOM 867 N ILE A 58 4.105 18.742 22.350 1.00 8.95 N ATOM 868 CA ILE A 58 3.828 18.750 23.774 1.00 9.63 C ATOM 869 C ILE A 58 5.118 18.479 24.569 1.00 12.04 C ATOM 870 O ILE A 58 5.848 17.521 24.289 1.00 11.31 O ATOM 871 CB ILE A 58 2.677 17.766 24.050 1.00 10.79 C ATOM 872 CG1 ILE A 58 1.385 18.356 23.472 1.00 8.95 C ATOM 873 CG2 ILE A 58 2.549 17.447 25.525 1.00 10.44 C ATOM 874 CD1 ILE A 58 0.221 17.417 23.526 1.00 12.38 C ATOM 875 HA ILE A 58 3.492 19.729 24.115 1.00 0.00 H ATOM 876 HB ILE A 58 2.887 16.814 23.561 1.00 0.00 H ATOM 877 HG12 ILE A 58 1.132 19.252 24.038 1.00 0.00 H ATOM 878 HG13 ILE A 58 1.564 18.624 22.431 1.00 0.00 H ATOM 879 HD11 ILE A 58 0.454 16.519 22.954 1.00 0.00 H ATOM 880 HD12 ILE A 58 0.021 17.147 24.563 1.00 0.00 H ATOM 881 HD13 ILE A 58 -0.657 17.903 23.100 1.00 0.00 H ATOM 882 HG21 ILE A 58 3.476 16.997 25.880 1.00 0.00 H ATOM 883 HG22 ILE A 58 2.354 18.366 26.079 1.00 0.00 H ATOM 884 HG23 ILE A 58 1.725 16.749 25.674 1.00 0.00 H ATOM 885 H ILE A 58 3.847 17.898 21.800 1.00 0.00 H ATOM 886 N ASN A 59 5.369 19.325 25.568 1.00 13.10 N ATOM 887 CA ASN A 59 6.606 19.313 26.358 1.00 13.23 C ATOM 888 C ASN A 59 6.667 18.260 27.468 1.00 13.09 C ATOM 889 O ASN A 59 5.774 18.178 28.317 1.00 13.97 O ATOM 890 CB ASN A 59 6.862 20.715 26.923 1.00 14.81 C ATOM 891 CG ASN A 59 8.235 20.848 27.560 1.00 15.92 C ATOM 892 OD1 ASN A 59 8.372 20.777 28.773 1.00 22.33 O ATOM 893 ND2 ASN A 59 9.247 21.046 26.746 1.00 21.40 N ATOM 894 HA ASN A 59 7.397 19.021 25.667 1.00 0.00 H ATOM 895 HB2 ASN A 59 6.782 21.438 26.112 1.00 0.00 H ATOM 896 HB3 ASN A 59 6.105 20.931 27.677 1.00 0.00 H ATOM 897 HD22 ASN A 59 9.086 21.100 25.720 1.00 0.00 H ATOM 898 HD21 ASN A 59 10.209 21.149 27.128 1.00 0.00 H ATOM 899 H ASN A 59 4.646 20.035 25.801 1.00 0.00 H ATOM 900 N SER A 60 7.828 17.598 27.549 1.00 13.06 N ATOM 901 CA SER A 60 8.084 16.532 28.523 1.00 12.67 C ATOM 902 C SER A 60 8.354 17.028 29.936 1.00 12.41 C ATOM 903 O SER A 60 8.353 16.229 30.856 1.00 14.59 O ATOM 904 CB SER A 60 9.251 15.637 28.080 1.00 11.85 C ATOM 905 OG SER A 60 10.480 16.346 28.121 1.00 10.38 O ATOM 906 HA SER A 60 7.156 15.960 28.552 1.00 0.00 H ATOM 907 HB2 SER A 60 9.071 15.294 27.061 1.00 0.00 H ATOM 908 HB3 SER A 60 9.313 14.776 28.746 1.00 0.00 H ATOM 909 HG SER A 60 11.214 15.748 27.832 1.00 0.00 H ATOM 910 H SER A 60 8.588 17.853 26.887 1.00 0.00 H ATOM 911 N ARG A 61 8.668 18.299 30.134 1.00 14.59 N ATOM 912 CA ARG A 61 8.877 18.738 31.515 1.00 19.24 C ATOM 913 C ARG A 61 7.556 18.804 32.281 1.00 19.67 C ATOM 914 O ARG A 61 7.552 18.659 33.507 1.00 19.99 O ATOM 915 CB ARG A 61 9.565 20.106 31.603 1.00 24.02 C ATOM 916 CG ARG A 61 9.814 20.525 33.065 1.00 31.79 C ATOM 917 CD ARG A 61 11.031 21.436 33.271 1.00 39.74 C ATOM 918 NE ARG A 61 12.301 20.884 32.768 1.00 47.02 N ATOM 919 CZ ARG A 61 12.905 19.770 33.200 1.00 50.25 C ATOM 920 NH1 ARG A 61 12.388 19.022 34.177 1.00 50.22 N ATOM 921 NH2 ARG A 61 14.036 19.383 32.622 1.00 50.72 N ATOM 922 HA ARG A 61 9.532 17.993 31.966 1.00 0.00 H ATOM 923 HB2 ARG A 61 10.521 20.055 31.082 1.00 0.00 H ATOM 924 HB3 ARG A 61 8.931 20.852 31.124 1.00 0.00 H ATOM 925 HG2 ARG A 61 8.930 21.053 33.423 1.00 0.00 H ATOM 926 HG3 ARG A 61 9.961 19.622 33.657 1.00 0.00 H ATOM 927 HD2 ARG A 61 11.140 21.622 34.339 1.00 0.00 H ATOM 928 HD3 ARG A 61 10.842 22.378 32.757 1.00 0.00 H ATOM 929 HE ARG A 61 12.773 21.410 32.005 1.00 0.00 H ATOM 930 HH12 ARG A 61 12.882 18.162 34.490 1.00 0.00 H ATOM 931 HH11 ARG A 61 11.491 19.299 34.625 1.00 0.00 H ATOM 932 HH22 ARG A 61 14.517 18.520 32.946 1.00 0.00 H ATOM 933 HH21 ARG A 61 14.441 19.943 31.845 1.00 0.00 H ATOM 934 H ARG A 61 8.763 18.961 29.338 1.00 0.00 H ATOM 935 N TRP A 62 6.433 18.900 31.557 1.00 17.68 N ATOM 936 CA TRP A 62 5.134 19.055 32.214 1.00 15.96 C ATOM 937 C TRP A 62 4.067 18.048 31.851 1.00 15.65 C ATOM 938 O TRP A 62 3.326 17.623 32.730 1.00 16.84 O ATOM 939 CB TRP A 62 4.518 20.410 31.838 1.00 17.97 C ATOM 940 CG TRP A 62 5.290 21.580 32.260 1.00 18.54 C ATOM 941 CD1 TRP A 62 6.158 22.302 31.507 1.00 18.75 C ATOM 942 CD2 TRP A 62 5.279 22.172 33.554 1.00 20.62 C ATOM 943 NE1 TRP A 62 6.699 23.318 32.255 1.00 22.27 N ATOM 944 CE2 TRP A 62 6.178 23.264 33.520 1.00 21.87 C ATOM 945 CE3 TRP A 62 4.591 21.890 34.746 1.00 22.87 C ATOM 946 CZ2 TRP A 62 6.415 24.084 34.634 1.00 25.23 C ATOM 947 CZ3 TRP A 62 4.822 22.709 35.864 1.00 26.38 C ATOM 948 CH2 TRP A 62 5.730 23.794 35.796 1.00 24.35 C ATOM 949 HA TRP A 62 5.382 18.930 33.268 1.00 0.00 H ATOM 950 HB2 TRP A 62 4.415 20.446 30.753 1.00 0.00 H ATOM 951 HB3 TRP A 62 3.531 20.472 32.297 1.00 0.00 H ATOM 952 HE1 TRP A 62 7.392 24.015 31.916 1.00 0.00 H ATOM 953 HD1 TRP A 62 6.392 22.104 30.461 1.00 0.00 H ATOM 954 HZ2 TRP A 62 7.114 24.919 34.583 1.00 0.00 H ATOM 955 HH2 TRP A 62 5.891 24.412 36.679 1.00 0.00 H ATOM 956 HZ3 TRP A 62 4.295 22.507 36.797 1.00 0.00 H ATOM 957 HE3 TRP A 62 3.893 21.054 34.802 1.00 0.00 H ATOM 958 H TRP A 62 6.484 18.864 30.519 1.00 0.00 H ATOM 959 N TRP A 63 3.992 17.628 30.589 1.00 14.28 N ATOM 960 CA TRP A 63 2.821 16.850 30.170 1.00 14.14 C ATOM 961 C TRP A 63 2.957 15.354 29.982 1.00 13.31 C ATOM 962 O TRP A 63 1.967 14.652 30.140 1.00 13.76 O ATOM 963 CB TRP A 63 2.248 17.504 28.907 1.00 14.10 C ATOM 964 CG TRP A 63 2.041 19.001 29.103 1.00 12.77 C ATOM 965 CD1 TRP A 63 2.819 20.015 28.612 1.00 13.07 C ATOM 966 CD2 TRP A 63 1.034 19.625 29.909 1.00 13.68 C ATOM 967 NE1 TRP A 63 2.366 21.232 29.070 1.00 13.18 N ATOM 968 CE2 TRP A 63 1.272 21.023 29.868 1.00 13.41 C ATOM 969 CE3 TRP A 63 -0.045 19.141 30.666 1.00 13.68 C ATOM 970 CZ2 TRP A 63 0.470 21.941 30.560 1.00 13.36 C ATOM 971 CZ3 TRP A 63 -0.843 20.058 31.354 1.00 13.16 C ATOM 972 CH2 TRP A 63 -0.576 21.441 31.294 1.00 12.44 C ATOM 973 HA TRP A 63 2.153 16.891 31.030 1.00 0.00 H ATOM 974 HB2 TRP A 63 2.940 17.346 28.080 1.00 0.00 H ATOM 975 HB3 TRP A 63 1.290 17.041 28.671 1.00 0.00 H ATOM 976 HE1 TRP A 63 2.785 22.157 28.847 1.00 0.00 H ATOM 977 HD1 TRP A 63 3.676 19.878 27.952 1.00 0.00 H ATOM 978 HZ2 TRP A 63 0.670 23.012 30.517 1.00 0.00 H ATOM 979 HH2 TRP A 63 -1.216 22.130 31.844 1.00 0.00 H ATOM 980 HZ3 TRP A 63 -1.685 19.699 31.946 1.00 0.00 H ATOM 981 HE3 TRP A 63 -0.255 18.073 30.716 1.00 0.00 H ATOM 982 H TRP A 63 4.751 17.848 29.912 1.00 0.00 H ATOM 983 N CYS A 64 4.124 14.856 29.604 1.00 12.77 N ATOM 984 CA CYS A 64 4.280 13.427 29.375 1.00 12.47 C ATOM 985 C CYS A 64 5.592 12.923 29.935 1.00 13.95 C ATOM 986 O CYS A 64 6.470 13.709 30.302 1.00 15.64 O ATOM 987 CB CYS A 64 4.194 13.124 27.881 1.00 12.10 C ATOM 988 SG CYS A 64 5.471 13.943 26.865 1.00 13.47 S ATOM 989 HA CYS A 64 3.472 12.910 29.893 1.00 0.00 H ATOM 990 HB2 CYS A 64 3.216 13.447 27.524 1.00 0.00 H ATOM 991 HB3 CYS A 64 4.291 12.047 27.746 1.00 0.00 H ATOM 992 H CYS A 64 4.936 15.491 29.470 1.00 0.00 H ATOM 993 N ASN A 65 5.732 11.609 30.017 1.00 15.46 N ATOM 994 CA ASN A 65 6.958 11.040 30.543 1.00 17.55 C ATOM 995 C ASN A 65 7.807 10.389 29.452 1.00 15.66 C ATOM 996 O ASN A 65 7.325 9.525 28.722 1.00 15.47 O ATOM 997 CB ASN A 65 6.663 10.014 31.640 1.00 20.64 C ATOM 998 CG ASN A 65 7.933 9.301 32.108 1.00 26.83 C ATOM 999 OD1 ASN A 65 8.885 9.937 32.575 1.00 28.69 O ATOM 1000 ND2 ASN A 65 7.983 7.988 31.906 1.00 32.42 N ATOM 1001 HA ASN A 65 7.526 11.868 30.967 1.00 0.00 H ATOM 1002 HB2 ASN A 65 6.212 10.526 32.490 1.00 0.00 H ATOM 1003 HB3 ASN A 65 5.965 9.273 31.252 1.00 0.00 H ATOM 1004 HD22 ASN A 65 7.159 7.491 31.511 1.00 0.00 H ATOM 1005 HD21 ASN A 65 8.846 7.458 32.143 1.00 0.00 H ATOM 1006 H ASN A 65 4.962 10.984 29.704 1.00 0.00 H ATOM 1007 N ASP A 66 9.058 10.831 29.330 1.00 15.13 N ATOM 1008 CA ASP A 66 9.973 10.255 28.357 1.00 14.89 C ATOM 1009 C ASP A 66 11.147 9.576 29.052 1.00 16.48 C ATOM 1010 O ASP A 66 12.122 9.184 28.418 1.00 17.47 O ATOM 1011 CB ASP A 66 10.436 11.293 27.317 1.00 13.00 C ATOM 1012 CG ASP A 66 11.279 12.426 27.899 1.00 10.55 C ATOM 1013 OD1 ASP A 66 11.567 12.480 29.102 1.00 14.08 O ATOM 1014 OD2 ASP A 66 11.678 13.296 27.118 1.00 13.32 O ATOM 1015 HA ASP A 66 9.430 9.488 27.804 1.00 0.00 H ATOM 1016 HB2 ASP A 66 11.029 10.779 26.560 1.00 0.00 H ATOM 1017 HB3 ASP A 66 9.552 11.728 26.851 1.00 0.00 H ATOM 1018 H ASP A 66 9.387 11.604 29.943 1.00 0.00 H ATOM 1019 N GLY A 67 11.057 9.514 30.374 1.00 16.69 N ATOM 1020 CA GLY A 67 12.064 8.864 31.189 1.00 19.96 C ATOM 1021 C GLY A 67 13.442 9.479 31.106 1.00 22.81 C ATOM 1022 O GLY A 67 14.420 8.774 31.360 1.00 26.17 O ATOM 1023 HA3 GLY A 67 12.137 7.824 30.872 1.00 0.00 H ATOM 1024 HA2 GLY A 67 11.737 8.904 32.228 1.00 0.00 H ATOM 1025 H GLY A 67 10.235 9.947 30.842 1.00 0.00 H ATOM 1026 N ARG A 68 13.549 10.764 30.773 1.00 22.18 N ATOM 1027 CA ARG A 68 14.861 11.410 30.681 1.00 21.26 C ATOM 1028 C ARG A 68 14.808 12.911 30.987 1.00 22.16 C ATOM 1029 O ARG A 68 15.748 13.647 30.681 1.00 22.60 O ATOM 1030 CB ARG A 68 15.504 11.164 29.309 1.00 21.51 C ATOM 1031 CG ARG A 68 14.927 11.943 28.151 1.00 18.49 C ATOM 1032 CD ARG A 68 15.877 11.866 26.971 1.00 18.37 C ATOM 1033 NE ARG A 68 15.512 12.773 25.888 1.00 20.01 N ATOM 1034 CZ ARG A 68 16.094 12.787 24.688 1.00 21.79 C ATOM 1035 NH1 ARG A 68 17.079 11.937 24.409 1.00 21.56 N ATOM 1036 NH2 ARG A 68 15.680 13.649 23.756 1.00 21.16 N ATOM 1037 HA ARG A 68 15.483 10.950 31.449 1.00 0.00 H ATOM 1038 HB2 ARG A 68 16.561 11.418 29.387 1.00 0.00 H ATOM 1039 HB3 ARG A 68 15.403 10.103 29.080 1.00 0.00 H ATOM 1040 HG2 ARG A 68 13.963 11.519 27.871 1.00 0.00 H ATOM 1041 HG3 ARG A 68 14.793 12.984 28.443 1.00 0.00 H ATOM 1042 HD2 ARG A 68 15.873 10.846 26.587 1.00 0.00 H ATOM 1043 HD3 ARG A 68 16.880 12.120 27.314 1.00 0.00 H ATOM 1044 HE ARG A 68 14.746 13.455 26.064 1.00 0.00 H ATOM 1045 HH12 ARG A 68 17.529 11.952 23.472 1.00 0.00 H ATOM 1046 HH11 ARG A 68 17.399 11.257 25.128 1.00 0.00 H ATOM 1047 HH22 ARG A 68 16.133 13.660 22.820 1.00 0.00 H ATOM 1048 HH21 ARG A 68 14.904 14.309 23.966 1.00 0.00 H ATOM 1049 H ARG A 68 12.690 11.316 30.576 1.00 0.00 H ATOM 1050 N THR A 69 13.678 13.366 31.525 1.00 23.88 N ATOM 1051 CA THR A 69 13.499 14.767 31.914 1.00 25.42 C ATOM 1052 C THR A 69 13.398 14.811 33.436 1.00 30.16 C ATOM 1053 O THR A 69 12.310 14.722 34.012 1.00 27.78 O ATOM 1054 CB THR A 69 12.242 15.395 31.253 1.00 23.22 C ATOM 1055 OG1 THR A 69 12.246 15.096 29.852 1.00 19.43 O ATOM 1056 CG2 THR A 69 12.233 16.924 31.438 1.00 17.53 C ATOM 1057 HA THR A 69 14.348 15.357 31.569 1.00 0.00 H ATOM 1058 HB THR A 69 11.355 14.977 31.729 1.00 0.00 H ATOM 1059 HG1 THR A 69 11.445 15.495 29.428 1.00 0.00 H ATOM 1060 HG23 THR A 69 12.230 17.160 32.502 1.00 0.00 H ATOM 1061 HG21 THR A 69 13.122 17.350 30.973 1.00 0.00 H ATOM 1062 HG22 THR A 69 11.341 17.340 30.970 1.00 0.00 H ATOM 1063 H THR A 69 12.892 12.701 31.675 1.00 0.00 H ATOM 1064 N PRO A 70 14.563 14.814 34.107 1.00 35.87 N ATOM 1065 CA PRO A 70 14.689 14.837 35.570 1.00 38.58 C ATOM 1066 C PRO A 70 13.745 15.808 36.243 1.00 40.33 C ATOM 1067 O PRO A 70 13.696 16.999 35.896 1.00 40.45 O ATOM 1068 CB PRO A 70 16.151 15.216 35.782 1.00 39.02 C ATOM 1069 CG PRO A 70 16.827 14.541 34.594 1.00 41.07 C ATOM 1070 CD PRO A 70 15.890 14.942 33.469 1.00 37.19 C ATOM 1071 HA PRO A 70 14.418 13.882 36.020 1.00 0.00 H ATOM 1072 HD3 PRO A 70 16.076 15.966 33.145 1.00 0.00 H ATOM 1073 HD2 PRO A 70 15.985 14.270 32.616 1.00 0.00 H ATOM 1074 HG3 PRO A 70 16.867 13.459 34.717 1.00 0.00 H ATOM 1075 HG2 PRO A 70 17.834 14.925 34.434 1.00 0.00 H ATOM 1076 HB2 PRO A 70 16.288 16.297 35.755 1.00 0.00 H ATOM 1077 HB3 PRO A 70 16.529 14.826 36.727 1.00 0.00 H ATOM 1078 N GLY A 71 12.943 15.266 37.154 1.00 41.77 N ATOM 1079 CA GLY A 71 12.000 16.090 37.873 1.00 42.91 C ATOM 1080 C GLY A 71 11.096 16.853 36.926 1.00 42.11 C ATOM 1081 O GLY A 71 11.267 18.053 36.696 1.00 44.82 O ATOM 1082 HA3 GLY A 71 12.549 16.802 38.490 1.00 0.00 H ATOM 1083 HA2 GLY A 71 11.388 15.454 38.512 1.00 0.00 H ATOM 1084 H GLY A 71 12.995 14.246 37.349 1.00 0.00 H ATOM 1085 N SER A 72 10.212 16.107 36.288 1.00 38.73 N ATOM 1086 CA SER A 72 9.249 16.662 35.374 1.00 35.51 C ATOM 1087 C SER A 72 7.907 16.124 35.772 1.00 34.74 C ATOM 1088 O SER A 72 7.831 15.093 36.447 1.00 33.83 O ATOM 1089 CB SER A 72 9.562 16.216 33.952 1.00 36.52 C ATOM 1090 OG SER A 72 9.457 14.804 33.834 1.00 33.67 O ATOM 1091 HA SER A 72 9.270 17.751 35.409 1.00 0.00 H ATOM 1092 HB2 SER A 72 10.576 16.522 33.696 1.00 0.00 H ATOM 1093 HB3 SER A 72 8.857 16.686 33.266 1.00 0.00 H ATOM 1094 HG SER A 72 9.664 14.535 32.904 1.00 0.00 H ATOM 1095 H SER A 72 10.212 15.080 36.452 1.00 0.00 H ATOM 1096 N ARG A 73 6.853 16.854 35.446 1.00 32.73 N ATOM 1097 CA ARG A 73 5.518 16.388 35.775 1.00 31.69 C ATOM 1098 C ARG A 73 4.956 15.635 34.578 1.00 30.16 C ATOM 1099 O ARG A 73 5.433 15.797 33.447 1.00 34.07 O ATOM 1100 CB ARG A 73 4.638 17.574 36.185 1.00 33.81 C ATOM 1101 CG ARG A 73 5.369 18.533 37.146 1.00 42.63 C ATOM 1102 CD ARG A 73 4.432 19.335 38.042 1.00 51.60 C ATOM 1103 NE ARG A 73 3.534 18.462 38.808 1.00 59.30 N ATOM 1104 CZ ARG A 73 2.592 18.883 39.653 1.00 60.70 C ATOM 1105 NH1 ARG A 73 2.413 20.182 39.878 1.00 61.79 N ATOM 1106 NH2 ARG A 73 1.775 17.998 40.219 1.00 61.68 N ATOM 1107 HA ARG A 73 5.545 15.705 36.624 1.00 0.00 H ATOM 1108 HB2 ARG A 73 4.350 18.125 35.290 1.00 0.00 H ATOM 1109 HB3 ARG A 73 3.744 17.194 36.679 1.00 0.00 H ATOM 1110 HG2 ARG A 73 6.033 17.945 37.780 1.00 0.00 H ATOM 1111 HG3 ARG A 73 5.960 19.231 36.553 1.00 0.00 H ATOM 1112 HD2 ARG A 73 3.833 20.001 37.421 1.00 0.00 H ATOM 1113 HD3 ARG A 73 5.028 19.927 38.737 1.00 0.00 H ATOM 1114 HE ARG A 73 3.641 17.435 38.682 1.00 0.00 H ATOM 1115 HH12 ARG A 73 1.675 20.498 40.539 1.00 0.00 H ATOM 1116 HH11 ARG A 73 3.011 20.881 39.393 1.00 0.00 H ATOM 1117 HH22 ARG A 73 1.038 18.319 40.879 1.00 0.00 H ATOM 1118 HH21 ARG A 73 1.874 16.986 40.001 1.00 0.00 H ATOM 1119 H ARG A 73 6.981 17.761 34.954 1.00 0.00 H ATOM 1120 N ASN A 74 4.034 14.731 34.826 1.00 24.51 N ATOM 1121 CA ASN A 74 3.440 13.977 33.745 1.00 20.43 C ATOM 1122 C ASN A 74 1.953 14.198 33.850 1.00 18.69 C ATOM 1123 O ASN A 74 1.192 13.277 34.137 1.00 18.19 O ATOM 1124 CB ASN A 74 3.833 12.506 33.904 1.00 20.40 C ATOM 1125 CG ASN A 74 3.292 11.605 32.805 1.00 21.57 C ATOM 1126 OD1 ASN A 74 3.363 10.387 32.929 1.00 24.62 O ATOM 1127 ND2 ASN A 74 2.765 12.185 31.730 1.00 19.95 N ATOM 1128 HA ASN A 74 3.782 14.290 32.759 1.00 0.00 H ATOM 1129 HB2 ASN A 74 4.921 12.438 33.900 1.00 0.00 H ATOM 1130 HB3 ASN A 74 3.451 12.149 34.861 1.00 0.00 H ATOM 1131 HD22 ASN A 74 2.725 13.222 31.666 1.00 0.00 H ATOM 1132 HD21 ASN A 74 2.393 11.601 30.954 1.00 0.00 H ATOM 1133 H ASN A 74 3.730 14.557 35.805 1.00 0.00 H ATOM 1134 N LEU A 75 1.563 15.456 33.627 1.00 17.73 N ATOM 1135 CA LEU A 75 0.177 15.898 33.778 1.00 18.50 C ATOM 1136 C LEU A 75 -0.833 15.182 32.880 1.00 17.41 C ATOM 1137 O LEU A 75 -1.983 15.018 33.274 1.00 17.32 O ATOM 1138 CB LEU A 75 0.090 17.427 33.684 1.00 19.06 C ATOM 1139 CG LEU A 75 0.966 18.095 34.746 1.00 21.70 C ATOM 1140 CD1 LEU A 75 1.011 19.614 34.599 1.00 24.80 C ATOM 1141 CD2 LEU A 75 0.452 17.708 36.117 1.00 24.45 C ATOM 1142 HA LEU A 75 -0.130 15.597 34.779 1.00 0.00 H ATOM 1143 HB2 LEU A 75 0.425 17.743 32.696 1.00 0.00 H ATOM 1144 HB3 LEU A 75 -0.945 17.735 33.831 1.00 0.00 H ATOM 1145 HG LEU A 75 1.989 17.744 34.613 1.00 0.00 H ATOM 1146 HD21 LEU A 75 -0.580 18.043 36.225 1.00 0.00 H ATOM 1147 HD22 LEU A 75 0.497 16.625 36.228 1.00 0.00 H ATOM 1148 HD23 LEU A 75 1.070 18.179 36.882 1.00 0.00 H ATOM 1149 HD11 LEU A 75 1.416 19.871 33.620 1.00 0.00 H ATOM 1150 HD12 LEU A 75 0.003 20.017 34.694 1.00 0.00 H ATOM 1151 HD13 LEU A 75 1.647 20.034 35.378 1.00 0.00 H ATOM 1152 H LEU A 75 2.277 16.153 33.333 1.00 0.00 H ATOM 1153 N CYS A 76 -0.423 14.723 31.704 1.00 16.02 N ATOM 1154 CA CYS A 76 -1.357 14.004 30.850 1.00 16.68 C ATOM 1155 C CYS A 76 -1.338 12.493 31.117 1.00 17.82 C ATOM 1156 O CYS A 76 -2.106 11.745 30.513 1.00 16.82 O ATOM 1157 CB CYS A 76 -1.098 14.310 29.384 1.00 14.89 C ATOM 1158 SG CYS A 76 -1.534 16.024 28.971 1.00 16.09 S ATOM 1159 HA CYS A 76 -2.359 14.356 31.098 1.00 0.00 H ATOM 1160 HB2 CYS A 76 -1.695 13.635 28.771 1.00 0.00 H ATOM 1161 HB3 CYS A 76 -0.041 14.153 29.171 1.00 0.00 H ATOM 1162 H CYS A 76 0.558 14.876 31.395 1.00 0.00 H ATOM 1163 N ASN A 77 -0.454 12.062 32.023 1.00 21.15 N ATOM 1164 CA ASN A 77 -0.308 10.653 32.437 1.00 24.16 C ATOM 1165 C ASN A 77 -0.144 9.707 31.247 1.00 22.09 C ATOM 1166 O ASN A 77 -0.912 8.762 31.056 1.00 19.12 O ATOM 1167 CB ASN A 77 -1.496 10.218 33.321 1.00 33.04 C ATOM 1168 CG ASN A 77 -1.625 11.061 34.604 1.00 41.56 C ATOM 1169 OD1 ASN A 77 -0.727 11.047 35.457 1.00 47.14 O ATOM 1170 ND2 ASN A 77 -2.740 11.802 34.739 1.00 43.90 N ATOM 1171 HA ASN A 77 0.609 10.588 33.022 1.00 0.00 H ATOM 1172 HB2 ASN A 77 -2.415 10.319 32.744 1.00 0.00 H ATOM 1173 HB3 ASN A 77 -1.357 9.174 33.602 1.00 0.00 H ATOM 1174 HD22 ASN A 77 -3.469 11.784 33.998 1.00 0.00 H ATOM 1175 HD21 ASN A 77 -2.873 12.393 35.585 1.00 0.00 H ATOM 1176 H ASN A 77 0.172 12.766 32.465 1.00 0.00 H ATOM 1177 N ILE A 78 0.879 9.972 30.450 1.00 20.60 N ATOM 1178 CA ILE A 78 1.155 9.170 29.274 1.00 20.74 C ATOM 1179 C ILE A 78 2.620 9.257 28.906 1.00 19.99 C ATOM 1180 O ILE A 78 3.296 10.248 29.205 1.00 19.28 O ATOM 1181 CB ILE A 78 0.445 9.714 28.002 1.00 20.52 C ATOM 1182 CG1 ILE A 78 0.643 11.230 27.923 1.00 22.60 C ATOM 1183 CG2 ILE A 78 -0.980 9.238 27.905 1.00 24.20 C ATOM 1184 CD1 ILE A 78 0.334 11.816 26.583 1.00 25.39 C ATOM 1185 HA ILE A 78 0.819 8.166 29.535 1.00 0.00 H ATOM 1186 HB ILE A 78 0.906 9.300 27.105 1.00 0.00 H ATOM 1187 HG12 ILE A 78 -0.008 11.700 28.661 1.00 0.00 H ATOM 1188 HG13 ILE A 78 1.683 11.453 28.163 1.00 0.00 H ATOM 1189 HD11 ILE A 78 0.985 11.367 25.833 1.00 0.00 H ATOM 1190 HD12 ILE A 78 -0.707 11.614 26.331 1.00 0.00 H ATOM 1191 HD13 ILE A 78 0.500 12.893 26.612 1.00 0.00 H ATOM 1192 HG21 ILE A 78 -0.996 8.149 27.865 1.00 0.00 H ATOM 1193 HG22 ILE A 78 -1.536 9.579 28.778 1.00 0.00 H ATOM 1194 HG23 ILE A 78 -1.436 9.643 27.001 1.00 0.00 H ATOM 1195 H ILE A 78 1.500 10.776 30.673 1.00 0.00 H ATOM 1196 N PRO A 79 3.145 8.193 28.286 1.00 19.06 N ATOM 1197 CA PRO A 79 4.550 8.264 27.891 1.00 17.03 C ATOM 1198 C PRO A 79 4.537 9.162 26.636 1.00 14.55 C ATOM 1199 O PRO A 79 3.571 9.153 25.855 1.00 13.90 O ATOM 1200 CB PRO A 79 4.893 6.803 27.587 1.00 18.65 C ATOM 1201 CG PRO A 79 3.576 6.199 27.191 1.00 20.82 C ATOM 1202 CD PRO A 79 2.593 6.838 28.125 1.00 18.07 C ATOM 1203 HA PRO A 79 5.268 8.669 28.604 1.00 0.00 H ATOM 1204 HD3 PRO A 79 1.595 6.868 27.688 1.00 0.00 H ATOM 1205 HD2 PRO A 79 2.555 6.311 29.079 1.00 0.00 H ATOM 1206 HG3 PRO A 79 3.590 5.117 27.322 1.00 0.00 H ATOM 1207 HG2 PRO A 79 3.337 6.435 26.154 1.00 0.00 H ATOM 1208 HB2 PRO A 79 5.613 6.735 26.771 1.00 0.00 H ATOM 1209 HB3 PRO A 79 5.298 6.307 28.469 1.00 0.00 H ATOM 1210 N CYS A 80 5.568 9.982 26.478 1.00 13.16 N ATOM 1211 CA CYS A 80 5.658 10.900 25.338 1.00 11.44 C ATOM 1212 C CYS A 80 5.577 10.192 23.974 1.00 11.81 C ATOM 1213 O CYS A 80 5.158 10.784 22.981 1.00 13.23 O ATOM 1214 CB CYS A 80 6.942 11.713 25.442 1.00 9.93 C ATOM 1215 SG CYS A 80 7.070 12.689 26.970 1.00 12.67 S ATOM 1216 HA CYS A 80 4.790 11.558 25.386 1.00 0.00 H ATOM 1217 HB2 CYS A 80 6.987 12.395 24.593 1.00 0.00 H ATOM 1218 HB3 CYS A 80 7.788 11.027 25.400 1.00 0.00 H ATOM 1219 H CYS A 80 6.333 9.973 27.182 1.00 0.00 H ATOM 1220 N SER A 81 5.999 8.935 23.915 1.00 13.89 N ATOM 1221 CA SER A 81 5.957 8.173 22.662 1.00 15.57 C ATOM 1222 C SER A 81 4.521 8.001 22.154 1.00 15.61 C ATOM 1223 O SER A 81 4.295 7.862 20.962 1.00 16.87 O ATOM 1224 CB SER A 81 6.609 6.805 22.844 1.00 14.18 C ATOM 1225 OG SER A 81 5.951 6.062 23.850 1.00 18.84 O ATOM 1226 HA SER A 81 6.515 8.740 21.917 1.00 0.00 H ATOM 1227 HB2 SER A 81 7.653 6.942 23.126 1.00 0.00 H ATOM 1228 HB3 SER A 81 6.557 6.257 21.903 1.00 0.00 H ATOM 1229 HG SER A 81 6.391 5.181 23.949 1.00 0.00 H ATOM 1230 H SER A 81 6.367 8.481 24.775 1.00 0.00 H ATOM 1231 N ALA A 82 3.549 8.025 23.056 1.00 17.30 N ATOM 1232 CA ALA A 82 2.149 7.896 22.660 1.00 17.59 C ATOM 1233 C ALA A 82 1.685 9.105 21.820 1.00 17.65 C ATOM 1234 O ALA A 82 0.697 9.024 21.090 1.00 17.89 O ATOM 1235 CB ALA A 82 1.286 7.752 23.898 1.00 18.56 C ATOM 1236 HA ALA A 82 2.048 7.007 22.038 1.00 0.00 H ATOM 1237 HB1 ALA A 82 1.592 6.864 24.451 1.00 0.00 H ATOM 1238 HB2 ALA A 82 1.407 8.633 24.528 1.00 0.00 H ATOM 1239 HB3 ALA A 82 0.241 7.656 23.602 1.00 0.00 H ATOM 1240 H ALA A 82 3.788 8.138 24.062 1.00 0.00 H ATOM 1241 N LEU A 83 2.423 10.210 21.924 1.00 17.61 N ATOM 1242 CA LEU A 83 2.128 11.459 21.210 1.00 17.21 C ATOM 1243 C LEU A 83 2.690 11.481 19.784 1.00 16.97 C ATOM 1244 O LEU A 83 2.469 12.445 19.052 1.00 17.33 O ATOM 1245 CB LEU A 83 2.712 12.657 21.974 1.00 16.64 C ATOM 1246 CG LEU A 83 2.295 12.783 23.443 1.00 17.83 C ATOM 1247 CD1 LEU A 83 2.944 14.014 24.097 1.00 13.82 C ATOM 1248 CD2 LEU A 83 0.772 12.851 23.507 1.00 18.30 C ATOM 1249 HA LEU A 83 1.042 11.524 21.149 1.00 0.00 H ATOM 1250 HB2 LEU A 83 3.799 12.577 21.941 1.00 0.00 H ATOM 1251 HB3 LEU A 83 2.400 13.566 21.459 1.00 0.00 H ATOM 1252 HG LEU A 83 2.641 11.914 24.003 1.00 0.00 H ATOM 1253 HD21 LEU A 83 0.424 13.717 22.944 1.00 0.00 H ATOM 1254 HD22 LEU A 83 0.351 11.943 23.076 1.00 0.00 H ATOM 1255 HD23 LEU A 83 0.457 12.941 24.547 1.00 0.00 H ATOM 1256 HD11 LEU A 83 4.029 13.920 24.048 1.00 0.00 H ATOM 1257 HD12 LEU A 83 2.631 14.913 23.566 1.00 0.00 H ATOM 1258 HD13 LEU A 83 2.630 14.078 25.139 1.00 0.00 H ATOM 1259 H LEU A 83 3.256 10.186 22.547 1.00 0.00 H ATOM 1260 N LEU A 84 3.432 10.449 19.398 1.00 16.02 N ATOM 1261 CA LEU A 84 4.021 10.395 18.062 1.00 17.15 C ATOM 1262 C LEU A 84 3.228 9.488 17.098 1.00 19.50 C ATOM 1263 O LEU A 84 3.560 9.376 15.909 1.00 21.70 O ATOM 1264 CB LEU A 84 5.466 9.918 18.161 1.00 15.90 C ATOM 1265 CG LEU A 84 6.352 10.722 19.103 1.00 14.51 C ATOM 1266 CD1 LEU A 84 7.739 10.142 19.069 1.00 18.11 C ATOM 1267 CD2 LEU A 84 6.385 12.159 18.658 1.00 15.02 C ATOM 1268 HA LEU A 84 3.985 11.403 17.648 1.00 0.00 H ATOM 1269 HB2 LEU A 84 5.457 8.884 18.506 1.00 0.00 H ATOM 1270 HB3 LEU A 84 5.905 9.963 17.164 1.00 0.00 H ATOM 1271 HG LEU A 84 5.959 10.677 20.119 1.00 0.00 H ATOM 1272 HD21 LEU A 84 6.785 12.215 17.646 1.00 0.00 H ATOM 1273 HD22 LEU A 84 5.374 12.566 18.674 1.00 0.00 H ATOM 1274 HD23 LEU A 84 7.020 12.733 19.333 1.00 0.00 H ATOM 1275 HD11 LEU A 84 7.704 9.101 19.390 1.00 0.00 H ATOM 1276 HD12 LEU A 84 8.130 10.198 18.053 1.00 0.00 H ATOM 1277 HD13 LEU A 84 8.385 10.709 19.740 1.00 0.00 H ATOM 1278 H LEU A 84 3.597 9.664 20.060 1.00 0.00 H ATOM 1279 N SER A 85 2.154 8.897 17.601 1.00 19.65 N ATOM 1280 CA SER A 85 1.305 7.992 16.832 1.00 21.49 C ATOM 1281 C SER A 85 0.635 8.668 15.624 1.00 22.42 C ATOM 1282 O SER A 85 0.450 9.885 15.599 1.00 23.56 O ATOM 1283 CB SER A 85 0.221 7.456 17.762 1.00 22.98 C ATOM 1284 OG SER A 85 -0.745 6.722 17.041 1.00 27.64 O ATOM 1285 HA SER A 85 1.939 7.197 16.438 1.00 0.00 H ATOM 1286 HB2 SER A 85 -0.267 8.293 18.262 1.00 0.00 H ATOM 1287 HB3 SER A 85 0.680 6.806 18.508 1.00 0.00 H ATOM 1288 HG SER A 85 -1.436 6.386 17.665 1.00 0.00 H ATOM 1289 H SER A 85 1.904 9.087 18.592 1.00 0.00 H ATOM 1290 N SER A 86 0.260 7.880 14.620 1.00 21.37 N ATOM 1291 CA SER A 86 -0.440 8.453 13.472 1.00 23.07 C ATOM 1292 C SER A 86 -1.899 8.791 13.863 1.00 22.33 C ATOM 1293 O SER A 86 -2.628 9.472 13.145 1.00 23.79 O ATOM 1294 CB SER A 86 -0.371 7.509 12.268 1.00 25.97 C ATOM 1295 OG SER A 86 -0.841 6.215 12.600 1.00 30.82 O ATOM 1296 HA SER A 86 0.051 9.380 13.176 1.00 0.00 H ATOM 1297 HB2 SER A 86 0.664 7.436 11.933 1.00 0.00 H ATOM 1298 HB3 SER A 86 -0.985 7.914 11.463 1.00 0.00 H ATOM 1299 HG SER A 86 -0.284 5.839 13.327 1.00 0.00 H ATOM 1300 H SER A 86 0.464 6.861 14.652 1.00 0.00 H ATOM 1301 N ASP A 87 -2.318 8.250 14.998 1.00 20.46 N ATOM 1302 CA ASP A 87 -3.628 8.506 15.574 1.00 19.69 C ATOM 1303 C ASP A 87 -3.462 9.664 16.569 1.00 19.46 C ATOM 1304 O ASP A 87 -2.779 9.512 17.586 1.00 19.71 O ATOM 1305 CB ASP A 87 -4.099 7.245 16.288 1.00 22.19 C ATOM 1306 CG ASP A 87 -5.411 7.436 17.029 1.00 27.30 C ATOM 1307 OD1 ASP A 87 -6.160 8.390 16.734 1.00 29.81 O ATOM 1308 OD2 ASP A 87 -5.700 6.610 17.914 1.00 33.46 O ATOM 1309 HA ASP A 87 -4.365 8.769 14.815 1.00 0.00 H ATOM 1310 HB2 ASP A 87 -4.230 6.455 15.548 1.00 0.00 H ATOM 1311 HB3 ASP A 87 -3.335 6.946 17.006 1.00 0.00 H ATOM 1312 H ASP A 87 -1.675 7.608 15.504 1.00 0.00 H ATOM 1313 N ILE A 88 -4.091 10.803 16.295 1.00 18.11 N ATOM 1314 CA ILE A 88 -3.896 11.996 17.130 1.00 17.32 C ATOM 1315 C ILE A 88 -4.689 12.027 18.418 1.00 17.09 C ATOM 1316 O ILE A 88 -4.571 12.982 19.180 1.00 19.33 O ATOM 1317 CB ILE A 88 -4.196 13.298 16.350 1.00 17.39 C ATOM 1318 CG1 ILE A 88 -5.702 13.409 16.035 1.00 17.45 C ATOM 1319 CG2 ILE A 88 -3.317 13.363 15.092 1.00 17.55 C ATOM 1320 CD1 ILE A 88 -6.118 14.747 15.442 1.00 17.04 C ATOM 1321 HA ILE A 88 -2.843 11.934 17.404 1.00 0.00 H ATOM 1322 HB ILE A 88 -3.946 14.162 16.966 1.00 0.00 H ATOM 1323 HG12 ILE A 88 -5.962 12.624 15.324 1.00 0.00 H ATOM 1324 HG13 ILE A 88 -6.257 13.258 16.961 1.00 0.00 H ATOM 1325 HD11 ILE A 88 -5.878 15.545 16.145 1.00 0.00 H ATOM 1326 HD12 ILE A 88 -5.582 14.911 14.507 1.00 0.00 H ATOM 1327 HD13 ILE A 88 -7.191 14.740 15.251 1.00 0.00 H ATOM 1328 HG21 ILE A 88 -2.267 13.350 15.383 1.00 0.00 H ATOM 1329 HG22 ILE A 88 -3.530 12.503 14.457 1.00 0.00 H ATOM 1330 HG23 ILE A 88 -3.533 14.282 14.547 1.00 0.00 H ATOM 1331 H ILE A 88 -4.731 10.850 15.477 1.00 0.00 H ATOM 1332 N THR A 89 -5.456 10.992 18.703 1.00 17.12 N ATOM 1333 CA THR A 89 -6.263 10.987 19.906 1.00 16.34 C ATOM 1334 C THR A 89 -5.482 11.379 21.163 1.00 16.45 C ATOM 1335 O THR A 89 -5.891 12.283 21.877 1.00 16.98 O ATOM 1336 CB THR A 89 -6.933 9.636 20.093 1.00 18.00 C ATOM 1337 OG1 THR A 89 -7.729 9.359 18.936 1.00 19.22 O ATOM 1338 CG2 THR A 89 -7.818 9.648 21.323 1.00 18.34 C ATOM 1339 HA THR A 89 -7.026 11.753 19.768 1.00 0.00 H ATOM 1340 HB THR A 89 -6.170 8.868 20.224 1.00 0.00 H ATOM 1341 HG1 THR A 89 -7.149 9.341 18.134 1.00 0.00 H ATOM 1342 HG23 THR A 89 -7.211 9.859 22.204 1.00 0.00 H ATOM 1343 HG21 THR A 89 -8.581 10.419 21.213 1.00 0.00 H ATOM 1344 HG22 THR A 89 -8.296 8.675 21.434 1.00 0.00 H ATOM 1345 H THR A 89 -5.481 10.175 18.060 1.00 0.00 H ATOM 1346 N ALA A 90 -4.356 10.731 21.420 1.00 14.98 N ATOM 1347 CA ALA A 90 -3.577 11.032 22.611 1.00 15.39 C ATOM 1348 C ALA A 90 -3.145 12.505 22.665 1.00 15.70 C ATOM 1349 O ALA A 90 -3.210 13.136 23.730 1.00 15.23 O ATOM 1350 CB ALA A 90 -2.351 10.110 22.690 1.00 15.46 C ATOM 1351 HA ALA A 90 -4.218 10.853 23.474 1.00 0.00 H ATOM 1352 HB1 ALA A 90 -2.681 9.072 22.732 1.00 0.00 H ATOM 1353 HB2 ALA A 90 -1.728 10.260 21.808 1.00 0.00 H ATOM 1354 HB3 ALA A 90 -1.777 10.346 23.586 1.00 0.00 H ATOM 1355 H ALA A 90 -4.024 9.997 20.762 1.00 0.00 H ATOM 1356 N SER A 91 -2.702 13.039 21.528 1.00 12.69 N ATOM 1357 CA SER A 91 -2.249 14.427 21.453 1.00 13.66 C ATOM 1358 C SER A 91 -3.390 15.403 21.716 1.00 15.04 C ATOM 1359 O SER A 91 -3.218 16.406 22.414 1.00 14.86 O ATOM 1360 CB SER A 91 -1.624 14.725 20.090 1.00 12.66 C ATOM 1361 OG SER A 91 -0.315 14.200 20.030 1.00 14.96 O ATOM 1362 HA SER A 91 -1.495 14.560 22.228 1.00 0.00 H ATOM 1363 HB2 SER A 91 -1.587 15.804 19.938 1.00 0.00 H ATOM 1364 HB3 SER A 91 -2.231 14.270 19.308 1.00 0.00 H ATOM 1365 HG SER A 91 0.238 14.614 20.739 1.00 0.00 H ATOM 1366 H SER A 91 -2.678 12.452 20.670 1.00 0.00 H ATOM 1367 N VAL A 92 -4.550 15.096 21.152 1.00 13.63 N ATOM 1368 CA VAL A 92 -5.718 15.933 21.320 1.00 13.88 C ATOM 1369 C VAL A 92 -6.179 15.939 22.762 1.00 14.18 C ATOM 1370 O VAL A 92 -6.460 16.998 23.323 1.00 14.25 O ATOM 1371 CB VAL A 92 -6.857 15.484 20.383 1.00 15.17 C ATOM 1372 CG1 VAL A 92 -8.183 16.171 20.771 1.00 17.22 C ATOM 1373 CG2 VAL A 92 -6.485 15.824 18.946 1.00 14.60 C ATOM 1374 HA VAL A 92 -5.440 16.952 21.051 1.00 0.00 H ATOM 1375 HB VAL A 92 -6.996 14.407 20.478 1.00 0.00 H ATOM 1376 HG11 VAL A 92 -8.442 15.905 21.796 1.00 0.00 H ATOM 1377 HG12 VAL A 92 -8.067 17.252 20.693 1.00 0.00 H ATOM 1378 HG13 VAL A 92 -8.973 15.840 20.097 1.00 0.00 H ATOM 1379 HG21 VAL A 92 -6.338 16.900 18.855 1.00 0.00 H ATOM 1380 HG22 VAL A 92 -5.564 15.306 18.678 1.00 0.00 H ATOM 1381 HG23 VAL A 92 -7.288 15.508 18.280 1.00 0.00 H ATOM 1382 H VAL A 92 -4.622 14.233 20.575 1.00 0.00 H ATOM 1383 N ASN A 93 -6.197 14.766 23.381 1.00 13.84 N ATOM 1384 CA ASN A 93 -6.636 14.648 24.764 1.00 17.81 C ATOM 1385 C ASN A 93 -5.738 15.432 25.694 1.00 16.26 C ATOM 1386 O ASN A 93 -6.205 16.083 26.629 1.00 16.02 O ATOM 1387 CB ASN A 93 -6.682 13.179 25.202 1.00 19.57 C ATOM 1388 CG ASN A 93 -7.859 12.421 24.591 1.00 25.55 C ATOM 1389 OD1 ASN A 93 -8.754 13.018 23.969 1.00 26.50 O ATOM 1390 ND2 ASN A 93 -7.854 11.094 24.752 1.00 25.75 N ATOM 1391 HA ASN A 93 -7.642 15.064 24.821 1.00 0.00 H ATOM 1392 HB2 ASN A 93 -5.756 12.693 24.894 1.00 0.00 H ATOM 1393 HB3 ASN A 93 -6.767 13.141 26.288 1.00 0.00 H ATOM 1394 HD22 ASN A 93 -7.084 10.637 25.281 1.00 0.00 H ATOM 1395 HD21 ASN A 93 -8.621 10.518 24.349 1.00 0.00 H ATOM 1396 H ASN A 93 -5.892 13.914 22.868 1.00 0.00 H ATOM 1397 N CYS A 94 -4.443 15.364 25.436 1.00 14.12 N ATOM 1398 CA CYS A 94 -3.508 16.079 26.270 1.00 13.49 C ATOM 1399 C CYS A 94 -3.594 17.586 26.004 1.00 12.30 C ATOM 1400 O CYS A 94 -3.529 18.377 26.933 1.00 12.43 O ATOM 1401 CB CYS A 94 -2.089 15.540 26.042 1.00 14.37 C ATOM 1402 SG CYS A 94 -0.817 16.293 27.098 1.00 14.87 S ATOM 1403 HA CYS A 94 -3.764 15.920 27.317 1.00 0.00 H ATOM 1404 HB2 CYS A 94 -1.819 15.721 25.002 1.00 0.00 H ATOM 1405 HB3 CYS A 94 -2.098 14.467 26.232 1.00 0.00 H ATOM 1406 H CYS A 94 -4.100 14.797 24.635 1.00 0.00 H ATOM 1407 N ALA A 95 -3.805 17.966 24.745 1.00 12.30 N ATOM 1408 CA ALA A 95 -3.910 19.374 24.358 1.00 11.33 C ATOM 1409 C ALA A 95 -5.091 20.028 25.047 1.00 12.66 C ATOM 1410 O ALA A 95 -5.044 21.199 25.425 1.00 10.85 O ATOM 1411 CB ALA A 95 -4.046 19.495 22.851 1.00 10.53 C ATOM 1412 HA ALA A 95 -3.001 19.888 24.670 1.00 0.00 H ATOM 1413 HB1 ALA A 95 -3.170 19.057 22.372 1.00 0.00 H ATOM 1414 HB2 ALA A 95 -4.942 18.967 22.525 1.00 0.00 H ATOM 1415 HB3 ALA A 95 -4.123 20.547 22.578 1.00 0.00 H ATOM 1416 H ALA A 95 -3.899 17.236 24.010 1.00 0.00 H ATOM 1417 N LYS A 96 -6.167 19.261 25.200 1.00 13.08 N ATOM 1418 CA LYS A 96 -7.345 19.777 25.878 1.00 13.12 C ATOM 1419 C LYS A 96 -7.016 20.151 27.323 1.00 13.29 C ATOM 1420 O LYS A 96 -7.449 21.195 27.802 1.00 14.41 O ATOM 1421 CB LYS A 96 -8.484 18.761 25.810 1.00 12.80 C ATOM 1422 CG LYS A 96 -9.108 18.688 24.440 1.00 13.94 C ATOM 1423 CD LYS A 96 -10.209 17.650 24.429 1.00 19.63 C ATOM 1424 CE LYS A 96 -10.945 17.644 23.095 1.00 20.89 C ATOM 1425 NZ LYS A 96 -11.918 16.522 23.047 1.00 24.51 N ATOM 1426 HA LYS A 96 -7.673 20.684 25.370 1.00 0.00 H ATOM 1427 HB2 LYS A 96 -8.092 17.778 26.069 1.00 0.00 H ATOM 1428 HB3 LYS A 96 -9.251 19.046 26.530 1.00 0.00 H ATOM 1429 HG2 LYS A 96 -9.526 19.661 24.181 1.00 0.00 H ATOM 1430 HG3 LYS A 96 -8.346 18.415 23.710 1.00 0.00 H ATOM 1431 HD2 LYS A 96 -9.772 16.666 24.599 1.00 0.00 H ATOM 1432 HD3 LYS A 96 -10.918 17.874 25.226 1.00 0.00 H ATOM 1433 HE2 LYS A 96 -10.223 17.529 22.286 1.00 0.00 H ATOM 1434 HE3 LYS A 96 -11.477 18.587 22.974 1.00 0.00 H ATOM 1435 HZ1 LYS A 96 -11.412 15.621 23.160 1.00 0.00 H ATOM 1436 HZ2 LYS A 96 -12.609 16.631 23.816 1.00 0.00 H ATOM 1437 HZ3 LYS A 96 -12.411 16.532 22.132 1.00 0.00 H ATOM 1438 H LYS A 96 -6.166 18.288 24.833 1.00 0.00 H ATOM 1439 N LYS A 97 -6.240 19.314 28.011 1.00 13.30 N ATOM 1440 CA LYS A 97 -5.848 19.621 29.382 1.00 15.57 C ATOM 1441 C LYS A 97 -4.961 20.867 29.431 1.00 14.06 C ATOM 1442 O LYS A 97 -5.138 21.731 30.287 1.00 14.59 O ATOM 1443 CB LYS A 97 -5.074 18.469 30.013 1.00 19.32 C ATOM 1444 CG LYS A 97 -5.902 17.272 30.368 1.00 29.35 C ATOM 1445 CD LYS A 97 -5.202 16.457 31.450 1.00 35.62 C ATOM 1446 CE LYS A 97 -5.853 15.085 31.600 1.00 38.16 C ATOM 1447 NZ LYS A 97 -5.739 14.322 30.317 1.00 41.89 N ATOM 1448 HA LYS A 97 -6.770 19.792 29.938 1.00 0.00 H ATOM 1449 HB2 LYS A 97 -4.304 18.152 29.309 1.00 0.00 H ATOM 1450 HB3 LYS A 97 -4.602 18.837 30.924 1.00 0.00 H ATOM 1451 HG2 LYS A 97 -6.874 17.601 30.735 1.00 0.00 H ATOM 1452 HG3 LYS A 97 -6.041 16.653 29.482 1.00 0.00 H ATOM 1453 HD2 LYS A 97 -4.154 16.328 31.179 1.00 0.00 H ATOM 1454 HD3 LYS A 97 -5.268 16.990 32.398 1.00 0.00 H ATOM 1455 HE2 LYS A 97 -6.906 15.210 31.854 1.00 0.00 H ATOM 1456 HE3 LYS A 97 -5.352 14.532 32.395 1.00 0.00 H ATOM 1457 HZ1 LYS A 97 -6.218 14.848 29.559 1.00 0.00 H ATOM 1458 HZ2 LYS A 97 -4.735 14.201 30.075 1.00 0.00 H ATOM 1459 HZ3 LYS A 97 -6.185 13.389 30.429 1.00 0.00 H ATOM 1460 H LYS A 97 -5.911 18.434 27.566 1.00 0.00 H ATOM 1461 N ILE A 98 -3.996 20.931 28.515 1.00 12.65 N ATOM 1462 CA ILE A 98 -3.060 22.053 28.429 1.00 12.29 C ATOM 1463 C ILE A 98 -3.800 23.392 28.261 1.00 12.28 C ATOM 1464 O ILE A 98 -3.597 24.320 29.042 1.00 13.51 O ATOM 1465 CB ILE A 98 -2.036 21.872 27.237 1.00 11.09 C ATOM 1466 CG1 ILE A 98 -1.196 20.596 27.421 1.00 10.92 C ATOM 1467 CG2 ILE A 98 -1.119 23.093 27.108 1.00 11.53 C ATOM 1468 CD1 ILE A 98 -0.235 20.310 26.269 1.00 9.60 C ATOM 1469 HA ILE A 98 -2.507 22.066 29.368 1.00 0.00 H ATOM 1470 HB ILE A 98 -2.615 21.777 26.318 1.00 0.00 H ATOM 1471 HG12 ILE A 98 -0.613 20.699 28.336 1.00 0.00 H ATOM 1472 HG13 ILE A 98 -1.876 19.749 27.518 1.00 0.00 H ATOM 1473 HD11 ILE A 98 -0.802 20.191 25.346 1.00 0.00 H ATOM 1474 HD12 ILE A 98 0.462 21.141 26.164 1.00 0.00 H ATOM 1475 HD13 ILE A 98 0.318 19.394 26.478 1.00 0.00 H ATOM 1476 HG21 ILE A 98 -1.723 23.981 26.918 1.00 0.00 H ATOM 1477 HG22 ILE A 98 -0.558 23.224 28.033 1.00 0.00 H ATOM 1478 HG23 ILE A 98 -0.426 22.940 26.281 1.00 0.00 H ATOM 1479 H ILE A 98 -3.904 20.152 27.833 1.00 0.00 H ATOM 1480 N VAL A 99 -4.691 23.465 27.276 1.00 13.34 N ATOM 1481 CA VAL A 99 -5.408 24.702 26.988 1.00 13.02 C ATOM 1482 C VAL A 99 -6.434 25.024 28.053 1.00 16.60 C ATOM 1483 O VAL A 99 -6.805 26.194 28.208 1.00 16.02 O ATOM 1484 CB VAL A 99 -6.067 24.677 25.575 1.00 12.78 C ATOM 1485 CG1 VAL A 99 -7.343 23.836 25.568 1.00 11.06 C ATOM 1486 CG2 VAL A 99 -6.350 26.096 25.092 1.00 13.24 C ATOM 1487 HA VAL A 99 -4.664 25.498 26.994 1.00 0.00 H ATOM 1488 HB VAL A 99 -5.363 24.211 24.886 1.00 0.00 H ATOM 1489 HG11 VAL A 99 -7.104 22.812 25.856 1.00 0.00 H ATOM 1490 HG12 VAL A 99 -8.058 24.256 26.276 1.00 0.00 H ATOM 1491 HG13 VAL A 99 -7.775 23.841 24.567 1.00 0.00 H ATOM 1492 HG21 VAL A 99 -7.027 26.588 25.790 1.00 0.00 H ATOM 1493 HG22 VAL A 99 -5.415 26.653 25.037 1.00 0.00 H ATOM 1494 HG23 VAL A 99 -6.810 26.057 24.104 1.00 0.00 H ATOM 1495 H VAL A 99 -4.881 22.621 26.698 1.00 0.00 H ATOM 1496 N SER A 100 -6.852 24.001 28.809 1.00 17.67 N ATOM 1497 CA SER A 100 -7.839 24.181 29.868 1.00 20.77 C ATOM 1498 C SER A 100 -7.339 25.084 30.980 1.00 23.23 C ATOM 1499 O SER A 100 -8.146 25.657 31.699 1.00 25.52 O ATOM 1500 CB SER A 100 -8.347 22.860 30.415 1.00 19.36 C ATOM 1501 OG SER A 100 -9.284 22.334 29.497 1.00 25.38 O ATOM 1502 HA SER A 100 -8.687 24.685 29.404 1.00 0.00 H ATOM 1503 HB2 SER A 100 -8.826 23.020 31.381 1.00 0.00 H ATOM 1504 HB3 SER A 100 -7.516 22.165 30.534 1.00 0.00 H ATOM 1505 HG SER A 100 -8.844 22.194 28.621 1.00 0.00 H ATOM 1506 H SER A 100 -6.462 23.052 28.637 1.00 0.00 H TER 1507 SER A 100 ATOM 1508 N ASN A 103 -2.173 29.470 30.418 1.00 21.80 N ATOM 1509 CA ASN A 103 -2.426 30.669 29.648 1.00 18.46 C ATOM 1510 C ASN A 103 -3.116 30.330 28.313 1.00 14.80 C ATOM 1511 O ASN A 103 -2.934 31.002 27.298 1.00 14.26 O ATOM 1512 CB ASN A 103 -1.118 31.454 29.455 1.00 21.06 C ATOM 1513 CG ASN A 103 0.001 30.600 28.883 1.00 24.72 C ATOM 1514 OD1 ASN A 103 -0.217 29.456 28.476 1.00 27.46 O ATOM 1515 ND2 ASN A 103 1.210 31.155 28.849 1.00 26.88 N ATOM 1516 HA ASN A 103 -3.115 31.311 30.197 1.00 0.00 H ATOM 1517 HB2 ASN A 103 -1.307 32.284 28.774 1.00 0.00 H ATOM 1518 HB3 ASN A 103 -0.800 31.844 30.422 1.00 0.00 H ATOM 1519 HD22 ASN A 103 1.348 32.123 29.203 1.00 0.00 H ATOM 1520 HD21 ASN A 103 2.017 30.621 28.468 1.00 0.00 H ATOM 1521 HN3 ASN A 103 -1.556 28.834 29.874 1.00 0.00 H ATOM 1522 HN2 ASN A 103 -3.074 28.992 30.619 1.00 0.00 H ATOM 1523 HN1 ASN A 103 -1.708 29.726 31.312 1.00 0.00 H ATOM 1524 N GLY A 104 -3.932 29.287 28.327 1.00 10.41 N ATOM 1525 CA GLY A 104 -4.642 28.930 27.120 1.00 9.80 C ATOM 1526 C GLY A 104 -3.707 28.488 26.016 1.00 9.42 C ATOM 1527 O GLY A 104 -2.725 27.807 26.288 1.00 9.96 O ATOM 1528 HA3 GLY A 104 -5.207 29.796 26.776 1.00 0.00 H ATOM 1529 HA2 GLY A 104 -5.330 28.115 27.345 1.00 0.00 H ATOM 1530 H GLY A 104 -4.060 28.731 29.197 1.00 0.00 H ATOM 1531 N MET A 105 -3.969 28.925 24.787 1.00 10.10 N ATOM 1532 CA MET A 105 -3.130 28.512 23.664 1.00 10.63 C ATOM 1533 C MET A 105 -1.774 29.197 23.638 1.00 10.91 C ATOM 1534 O MET A 105 -0.951 28.869 22.789 1.00 9.80 O ATOM 1535 CB MET A 105 -3.852 28.635 22.318 1.00 11.63 C ATOM 1536 CG MET A 105 -4.841 27.475 22.015 1.00 13.61 C ATOM 1537 SD MET A 105 -5.351 27.386 20.258 1.00 13.79 S ATOM 1538 CE MET A 105 -3.890 26.550 19.562 1.00 11.40 C ATOM 1539 HA MET A 105 -2.931 27.453 23.829 1.00 0.00 H ATOM 1540 HB2 MET A 105 -4.411 29.571 22.314 1.00 0.00 H ATOM 1541 HB3 MET A 105 -3.101 28.659 21.528 1.00 0.00 H ATOM 1542 HG2 MET A 105 -5.733 27.614 22.626 1.00 0.00 H ATOM 1543 HG3 MET A 105 -4.361 26.534 22.283 1.00 0.00 H ATOM 1544 HE1 MET A 105 -3.005 27.160 19.740 1.00 0.00 H ATOM 1545 HE2 MET A 105 -3.766 25.579 20.041 1.00 0.00 H ATOM 1546 HE3 MET A 105 -4.028 26.412 18.490 1.00 0.00 H ATOM 1547 H MET A 105 -4.774 29.563 24.625 1.00 0.00 H ATOM 1548 N ASN A 106 -1.541 30.164 24.529 1.00 11.83 N ATOM 1549 CA ASN A 106 -0.227 30.812 24.598 1.00 12.23 C ATOM 1550 C ASN A 106 0.847 29.780 24.993 1.00 12.08 C ATOM 1551 O ASN A 106 2.027 30.031 24.817 1.00 11.93 O ATOM 1552 CB ASN A 106 -0.237 32.001 25.569 1.00 11.18 C ATOM 1553 CG ASN A 106 -1.097 33.141 25.074 1.00 11.45 C ATOM 1554 OD1 ASN A 106 -0.801 33.770 24.058 1.00 13.19 O ATOM 1555 ND2 ASN A 106 -2.177 33.406 25.781 1.00 12.31 N ATOM 1556 HA ASN A 106 0.014 31.207 23.611 1.00 0.00 H ATOM 1557 HB2 ASN A 106 -0.622 31.664 26.532 1.00 0.00 H ATOM 1558 HB3 ASN A 106 0.784 32.361 25.693 1.00 0.00 H ATOM 1559 HD22 ASN A 106 -2.390 32.850 26.634 1.00 0.00 H ATOM 1560 HD21 ASN A 106 -2.816 34.171 25.486 1.00 0.00 H ATOM 1561 H ASN A 106 -2.297 30.460 25.179 1.00 0.00 H ATOM 1562 N ALA A 107 0.419 28.614 25.494 1.00 11.45 N ATOM 1563 CA ALA A 107 1.336 27.517 25.836 1.00 11.06 C ATOM 1564 C ALA A 107 2.137 27.048 24.588 1.00 11.20 C ATOM 1565 O ALA A 107 3.196 26.449 24.717 1.00 13.09 O ATOM 1566 CB ALA A 107 0.560 26.339 26.439 1.00 9.16 C ATOM 1567 HA ALA A 107 2.044 27.890 26.576 1.00 0.00 H ATOM 1568 HB1 ALA A 107 0.047 26.668 27.343 1.00 0.00 H ATOM 1569 HB2 ALA A 107 -0.171 25.979 25.715 1.00 0.00 H ATOM 1570 HB3 ALA A 107 1.255 25.536 26.686 1.00 0.00 H ATOM 1571 H ALA A 107 -0.601 28.480 25.647 1.00 0.00 H ATOM 1572 N TRP A 108 1.595 27.283 23.395 1.00 8.25 N ATOM 1573 CA TRP A 108 2.260 26.942 22.142 1.00 9.65 C ATOM 1574 C TRP A 108 2.921 28.192 21.579 1.00 11.13 C ATOM 1575 O TRP A 108 2.240 29.134 21.141 1.00 11.64 O ATOM 1576 CB TRP A 108 1.274 26.348 21.114 1.00 9.16 C ATOM 1577 CG TRP A 108 0.831 24.942 21.439 1.00 10.74 C ATOM 1578 CD1 TRP A 108 1.495 23.780 21.130 1.00 11.23 C ATOM 1579 CD2 TRP A 108 -0.337 24.546 22.191 1.00 11.60 C ATOM 1580 NE1 TRP A 108 0.819 22.693 21.648 1.00 11.36 N ATOM 1581 CE2 TRP A 108 -0.306 23.128 22.301 1.00 11.95 C ATOM 1582 CE3 TRP A 108 -1.400 25.249 22.797 1.00 10.91 C ATOM 1583 CZ2 TRP A 108 -1.295 22.398 22.989 1.00 10.74 C ATOM 1584 CZ3 TRP A 108 -2.386 24.518 23.492 1.00 11.61 C ATOM 1585 CH2 TRP A 108 -2.320 23.103 23.577 1.00 11.01 C ATOM 1586 HA TRP A 108 3.012 26.179 22.344 1.00 0.00 H ATOM 1587 HB2 TRP A 108 0.392 26.987 21.075 1.00 0.00 H ATOM 1588 HB3 TRP A 108 1.758 26.339 20.138 1.00 0.00 H ATOM 1589 HE1 TRP A 108 1.116 21.701 21.557 1.00 0.00 H ATOM 1590 HD1 TRP A 108 2.422 23.724 20.559 1.00 0.00 H ATOM 1591 HZ2 TRP A 108 -1.250 21.311 23.053 1.00 0.00 H ATOM 1592 HH2 TRP A 108 -3.097 22.564 24.119 1.00 0.00 H ATOM 1593 HZ3 TRP A 108 -3.210 25.047 23.970 1.00 0.00 H ATOM 1594 HE3 TRP A 108 -1.458 26.335 22.729 1.00 0.00 H ATOM 1595 H TRP A 108 0.656 27.729 23.354 1.00 0.00 H ATOM 1596 N VAL A 109 4.249 28.224 21.657 1.00 10.89 N ATOM 1597 CA VAL A 109 5.026 29.372 21.188 1.00 12.81 C ATOM 1598 C VAL A 109 4.769 29.705 19.709 1.00 11.18 C ATOM 1599 O VAL A 109 4.638 30.876 19.371 1.00 11.70 O ATOM 1600 CB VAL A 109 6.557 29.190 21.447 1.00 14.12 C ATOM 1601 CG1 VAL A 109 7.061 27.934 20.767 1.00 16.31 C ATOM 1602 CG2 VAL A 109 7.336 30.405 20.957 1.00 12.02 C ATOM 1603 HA VAL A 109 4.678 30.220 21.778 1.00 0.00 H ATOM 1604 HB VAL A 109 6.712 29.093 22.522 1.00 0.00 H ATOM 1605 HG11 VAL A 109 6.528 27.069 21.162 1.00 0.00 H ATOM 1606 HG12 VAL A 109 6.888 28.009 19.693 1.00 0.00 H ATOM 1607 HG13 VAL A 109 8.128 27.823 20.957 1.00 0.00 H ATOM 1608 HG21 VAL A 109 7.172 30.533 19.887 1.00 0.00 H ATOM 1609 HG22 VAL A 109 6.992 31.293 21.487 1.00 0.00 H ATOM 1610 HG23 VAL A 109 8.399 30.255 21.148 1.00 0.00 H ATOM 1611 H VAL A 109 4.750 27.408 22.064 1.00 0.00 H ATOM 1612 N ALA A 110 4.671 28.696 18.839 1.00 11.81 N ATOM 1613 CA ALA A 110 4.415 28.950 17.415 1.00 12.38 C ATOM 1614 C ALA A 110 3.036 29.593 17.221 1.00 13.96 C ATOM 1615 O ALA A 110 2.861 30.414 16.321 1.00 14.12 O ATOM 1616 CB ALA A 110 4.533 27.659 16.576 1.00 9.90 C ATOM 1617 HA ALA A 110 5.178 29.644 17.062 1.00 0.00 H ATOM 1618 HB1 ALA A 110 5.539 27.252 16.678 1.00 0.00 H ATOM 1619 HB2 ALA A 110 3.806 26.928 16.931 1.00 0.00 H ATOM 1620 HB3 ALA A 110 4.337 27.889 15.529 1.00 0.00 H ATOM 1621 H ALA A 110 4.777 27.717 19.174 1.00 0.00 H ATOM 1622 N TRP A 111 2.066 29.220 18.062 1.00 11.46 N ATOM 1623 CA TRP A 111 0.727 29.797 17.970 1.00 12.62 C ATOM 1624 C TRP A 111 0.757 31.272 18.359 1.00 12.51 C ATOM 1625 O TRP A 111 0.220 32.133 17.663 1.00 11.18 O ATOM 1626 CB TRP A 111 -0.277 29.054 18.871 1.00 10.44 C ATOM 1627 CG TRP A 111 -1.659 29.641 18.784 1.00 9.75 C ATOM 1628 CD1 TRP A 111 -2.574 29.430 17.793 1.00 10.27 C ATOM 1629 CD2 TRP A 111 -2.239 30.603 19.665 1.00 11.13 C ATOM 1630 NE1 TRP A 111 -3.675 30.210 17.993 1.00 10.44 N ATOM 1631 CE2 TRP A 111 -3.503 30.943 19.135 1.00 11.11 C ATOM 1632 CE3 TRP A 111 -1.812 31.217 20.857 1.00 10.50 C ATOM 1633 CZ2 TRP A 111 -4.352 31.872 19.754 1.00 12.27 C ATOM 1634 CZ3 TRP A 111 -2.660 32.140 21.476 1.00 11.56 C ATOM 1635 CH2 TRP A 111 -3.914 32.458 20.918 1.00 10.55 C ATOM 1636 HA TRP A 111 0.401 29.695 16.935 1.00 0.00 H ATOM 1637 HB2 TRP A 111 -0.319 28.009 18.564 1.00 0.00 H ATOM 1638 HB3 TRP A 111 0.066 29.114 19.904 1.00 0.00 H ATOM 1639 HE1 TRP A 111 -4.511 30.242 17.376 1.00 0.00 H ATOM 1640 HD1 TRP A 111 -2.443 28.738 16.961 1.00 0.00 H ATOM 1641 HZ2 TRP A 111 -5.324 32.120 19.328 1.00 0.00 H ATOM 1642 HH2 TRP A 111 -4.552 33.185 21.421 1.00 0.00 H ATOM 1643 HZ3 TRP A 111 -2.347 32.620 22.403 1.00 0.00 H ATOM 1644 HE3 TRP A 111 -0.840 30.978 21.289 1.00 0.00 H ATOM 1645 H TRP A 111 2.268 28.508 18.793 1.00 0.00 H ATOM 1646 N ARG A 112 1.374 31.539 19.497 1.00 10.91 N ATOM 1647 CA ARG A 112 1.514 32.891 20.014 1.00 14.01 C ATOM 1648 C ARG A 112 2.252 33.807 19.012 1.00 13.29 C ATOM 1649 O ARG A 112 1.814 34.928 18.743 1.00 13.05 O ATOM 1650 CB ARG A 112 2.284 32.807 21.337 1.00 16.52 C ATOM 1651 CG ARG A 112 2.414 34.086 22.115 1.00 24.72 C ATOM 1652 CD ARG A 112 2.925 33.764 23.516 1.00 30.39 C ATOM 1653 NE ARG A 112 4.365 33.499 23.542 1.00 35.24 N ATOM 1654 CZ ARG A 112 4.945 32.393 24.011 1.00 36.52 C ATOM 1655 NH1 ARG A 112 4.228 31.391 24.505 1.00 35.60 N ATOM 1656 NH2 ARG A 112 6.269 32.315 24.032 1.00 37.47 N ATOM 1657 HA ARG A 112 0.528 33.328 20.171 1.00 0.00 H ATOM 1658 HB2 ARG A 112 1.775 32.082 21.972 1.00 0.00 H ATOM 1659 HB3 ARG A 112 3.289 32.450 21.114 1.00 0.00 H ATOM 1660 HG2 ARG A 112 3.117 34.750 21.613 1.00 0.00 H ATOM 1661 HG3 ARG A 112 1.441 34.573 22.183 1.00 0.00 H ATOM 1662 HD2 ARG A 112 2.401 32.883 23.885 1.00 0.00 H ATOM 1663 HD3 ARG A 112 2.714 34.611 24.169 1.00 0.00 H ATOM 1664 HE ARG A 112 4.990 34.238 23.161 1.00 0.00 H ATOM 1665 HH12 ARG A 112 4.704 30.539 24.865 1.00 0.00 H ATOM 1666 HH11 ARG A 112 3.191 31.458 24.532 1.00 0.00 H ATOM 1667 HH22 ARG A 112 6.734 31.458 24.395 1.00 0.00 H ATOM 1668 HH21 ARG A 112 6.842 33.110 23.685 1.00 0.00 H ATOM 1669 H ARG A 112 1.775 30.751 20.044 1.00 0.00 H ATOM 1670 N ASN A 113 3.280 33.287 18.347 1.00 11.64 N ATOM 1671 CA ASN A 113 4.067 34.122 17.441 1.00 12.72 C ATOM 1672 C ASN A 113 3.625 34.112 15.977 1.00 12.54 C ATOM 1673 O ASN A 113 3.932 35.060 15.258 1.00 12.79 O ATOM 1674 CB ASN A 113 5.553 33.737 17.522 1.00 9.97 C ATOM 1675 CG ASN A 113 6.167 34.080 18.865 1.00 11.17 C ATOM 1676 OD1 ASN A 113 5.719 35.002 19.543 1.00 14.77 O ATOM 1677 ND2 ASN A 113 7.191 33.342 19.257 1.00 11.22 N ATOM 1678 HA ASN A 113 3.896 35.140 17.791 1.00 0.00 H ATOM 1679 HB2 ASN A 113 5.646 32.663 17.358 1.00 0.00 H ATOM 1680 HB3 ASN A 113 6.096 34.271 16.742 1.00 0.00 H ATOM 1681 HD22 ASN A 113 7.538 32.571 18.652 1.00 0.00 H ATOM 1682 HD21 ASN A 113 7.649 33.532 20.171 1.00 0.00 H ATOM 1683 H ASN A 113 3.525 32.284 18.472 1.00 0.00 H ATOM 1684 N ARG A 114 2.878 33.112 15.522 1.00 12.27 N ATOM 1685 CA ARG A 114 2.549 33.061 14.093 1.00 12.36 C ATOM 1686 C ARG A 114 1.057 32.883 13.772 1.00 13.09 C ATOM 1687 O ARG A 114 0.672 32.991 12.606 1.00 13.31 O ATOM 1688 CB ARG A 114 3.356 31.930 13.461 1.00 10.83 C ATOM 1689 CG ARG A 114 4.816 31.997 13.857 1.00 12.98 C ATOM 1690 CD ARG A 114 5.611 30.894 13.273 1.00 13.27 C ATOM 1691 NE ARG A 114 5.754 31.039 11.828 1.00 15.41 N ATOM 1692 CZ ARG A 114 6.470 30.212 11.075 1.00 12.56 C ATOM 1693 NH1 ARG A 114 7.105 29.189 11.635 1.00 11.98 N ATOM 1694 NH2 ARG A 114 6.516 30.389 9.766 1.00 14.31 N ATOM 1695 HA ARG A 114 2.807 34.035 13.677 1.00 0.00 H ATOM 1696 HB2 ARG A 114 2.944 30.975 13.788 1.00 0.00 H ATOM 1697 HB3 ARG A 114 3.280 32.004 12.376 1.00 0.00 H ATOM 1698 HG2 ARG A 114 5.229 32.946 13.514 1.00 0.00 H ATOM 1699 HG3 ARG A 114 4.887 31.943 14.943 1.00 0.00 H ATOM 1700 HD2 ARG A 114 5.113 29.948 13.486 1.00 0.00 H ATOM 1701 HD3 ARG A 114 6.601 30.892 13.728 1.00 0.00 H ATOM 1702 HE ARG A 114 5.269 31.833 11.363 1.00 0.00 H ATOM 1703 HH12 ARG A 114 7.666 28.540 11.047 1.00 0.00 H ATOM 1704 HH11 ARG A 114 7.041 29.036 12.662 1.00 0.00 H ATOM 1705 HH22 ARG A 114 7.076 29.743 9.173 1.00 0.00 H ATOM 1706 HH21 ARG A 114 5.992 31.174 9.329 1.00 0.00 H ATOM 1707 H ARG A 114 2.531 32.376 16.170 1.00 0.00 H ATOM 1708 N CYS A 115 0.222 32.614 14.775 1.00 12.06 N ATOM 1709 CA CYS A 115 -1.210 32.396 14.525 1.00 12.62 C ATOM 1710 C CYS A 115 -2.099 33.409 15.227 1.00 12.17 C ATOM 1711 O CYS A 115 -3.079 33.880 14.643 1.00 12.17 O ATOM 1712 CB CYS A 115 -1.634 30.995 14.977 1.00 11.38 C ATOM 1713 SG CYS A 115 -0.712 29.652 14.188 1.00 12.29 S ATOM 1714 HA CYS A 115 -1.340 32.512 13.449 1.00 0.00 H ATOM 1715 HB2 CYS A 115 -2.691 30.866 14.746 1.00 0.00 H ATOM 1716 HB3 CYS A 115 -1.487 30.924 16.055 1.00 0.00 H ATOM 1717 H CYS A 115 0.588 32.558 15.747 1.00 0.00 H ATOM 1718 N LYS A 116 -1.776 33.687 16.488 1.00 10.76 N ATOM 1719 CA LYS A 116 -2.532 34.606 17.317 1.00 12.20 C ATOM 1720 C LYS A 116 -2.723 35.949 16.624 1.00 14.48 C ATOM 1721 O LYS A 116 -1.764 36.542 16.139 1.00 15.18 O ATOM 1722 CB LYS A 116 -1.816 34.804 18.653 1.00 10.47 C ATOM 1723 CG LYS A 116 -2.623 35.573 19.702 1.00 11.66 C ATOM 1724 CD LYS A 116 -1.846 35.657 21.010 1.00 13.00 C ATOM 1725 CE LYS A 116 -2.636 36.333 22.124 1.00 13.51 C ATOM 1726 NZ LYS A 116 -1.824 36.378 23.387 1.00 12.27 N ATOM 1727 HA LYS A 116 -3.518 34.175 17.491 1.00 0.00 H ATOM 1728 HB2 LYS A 116 -1.578 33.821 19.060 1.00 0.00 H ATOM 1729 HB3 LYS A 116 -0.892 35.352 18.466 1.00 0.00 H ATOM 1730 HG2 LYS A 116 -2.821 36.580 19.336 1.00 0.00 H ATOM 1731 HG3 LYS A 116 -3.568 35.059 19.877 1.00 0.00 H ATOM 1732 HD2 LYS A 116 -1.589 34.647 21.328 1.00 0.00 H ATOM 1733 HD3 LYS A 116 -0.932 36.225 20.837 1.00 0.00 H ATOM 1734 HE2 LYS A 116 -3.553 35.773 22.306 1.00 0.00 H ATOM 1735 HE3 LYS A 116 -2.887 37.350 21.821 1.00 0.00 H ATOM 1736 HZ1 LYS A 116 -1.586 35.409 23.679 1.00 0.00 H ATOM 1737 HZ2 LYS A 116 -0.950 36.915 23.217 1.00 0.00 H ATOM 1738 HZ3 LYS A 116 -2.376 36.842 24.136 1.00 0.00 H ATOM 1739 H LYS A 116 -0.941 33.223 16.899 1.00 0.00 H ATOM 1740 N GLY A 117 -3.969 36.388 16.508 1.00 16.75 N ATOM 1741 CA GLY A 117 -4.225 37.677 15.885 1.00 19.73 C ATOM 1742 C GLY A 117 -4.181 37.683 14.359 1.00 21.05 C ATOM 1743 O GLY A 117 -4.142 38.757 13.760 1.00 23.09 O ATOM 1744 HA3 GLY A 117 -3.476 38.381 16.247 1.00 0.00 H ATOM 1745 HA2 GLY A 117 -5.215 38.011 16.195 1.00 0.00 H ATOM 1746 H GLY A 117 -4.760 35.813 16.861 1.00 0.00 H ATOM 1747 N THR A 118 -4.125 36.518 13.724 1.00 19.71 N ATOM 1748 CA THR A 118 -4.121 36.453 12.265 1.00 18.14 C ATOM 1749 C THR A 118 -5.431 35.834 11.820 1.00 20.64 C ATOM 1750 O THR A 118 -6.185 35.359 12.670 1.00 21.41 O ATOM 1751 CB THR A 118 -2.974 35.592 11.745 1.00 18.55 C ATOM 1752 OG1 THR A 118 -3.210 34.224 12.094 1.00 15.57 O ATOM 1753 CG2 THR A 118 -1.643 36.045 12.352 1.00 16.52 C ATOM 1754 HA THR A 118 -3.996 37.461 11.869 1.00 0.00 H ATOM 1755 HB THR A 118 -2.921 35.698 10.661 1.00 0.00 H ATOM 1756 HG1 THR A 118 -3.266 34.141 13.079 1.00 0.00 H ATOM 1757 HG23 THR A 118 -1.460 37.087 12.088 1.00 0.00 H ATOM 1758 HG21 THR A 118 -1.687 35.946 13.437 1.00 0.00 H ATOM 1759 HG22 THR A 118 -0.837 35.423 11.962 1.00 0.00 H ATOM 1760 H THR A 118 -4.083 35.637 14.275 1.00 0.00 H ATOM 1761 N ASP A 119 -5.745 35.846 10.527 1.00 23.20 N ATOM 1762 CA ASP A 119 -7.012 35.233 10.083 1.00 25.59 C ATOM 1763 C ASP A 119 -6.879 33.714 10.039 1.00 23.31 C ATOM 1764 O ASP A 119 -6.731 33.124 8.973 1.00 24.01 O ATOM 1765 CB ASP A 119 -7.460 35.760 8.706 1.00 30.31 C ATOM 1766 CG ASP A 119 -8.939 35.430 8.387 1.00 34.87 C ATOM 1767 OD1 ASP A 119 -9.537 34.550 9.045 1.00 36.87 O ATOM 1768 OD2 ASP A 119 -9.518 36.069 7.482 1.00 39.70 O ATOM 1769 HA ASP A 119 -7.776 35.511 10.808 1.00 0.00 H ATOM 1770 HB2 ASP A 119 -7.333 36.842 8.689 1.00 0.00 H ATOM 1771 HB3 ASP A 119 -6.830 35.310 7.939 1.00 0.00 H ATOM 1772 H ASP A 119 -5.103 36.283 9.835 1.00 0.00 H ATOM 1773 N VAL A 120 -7.012 33.088 11.201 1.00 22.17 N ATOM 1774 CA VAL A 120 -6.852 31.643 11.331 1.00 21.17 C ATOM 1775 C VAL A 120 -7.865 30.837 10.516 1.00 22.84 C ATOM 1776 O VAL A 120 -7.603 29.682 10.152 1.00 21.88 O ATOM 1777 CB VAL A 120 -6.868 31.223 12.819 1.00 18.59 C ATOM 1778 CG1 VAL A 120 -5.604 31.750 13.511 1.00 16.23 C ATOM 1779 CG2 VAL A 120 -8.124 31.760 13.508 1.00 18.62 C ATOM 1780 HA VAL A 120 -5.877 31.404 10.906 1.00 0.00 H ATOM 1781 HB VAL A 120 -6.883 30.135 12.888 1.00 0.00 H ATOM 1782 HG11 VAL A 120 -4.723 31.332 13.024 1.00 0.00 H ATOM 1783 HG12 VAL A 120 -5.579 32.837 13.439 1.00 0.00 H ATOM 1784 HG13 VAL A 120 -5.615 31.454 14.560 1.00 0.00 H ATOM 1785 HG21 VAL A 120 -8.135 32.848 13.444 1.00 0.00 H ATOM 1786 HG22 VAL A 120 -9.008 31.357 13.014 1.00 0.00 H ATOM 1787 HG23 VAL A 120 -8.121 31.456 14.555 1.00 0.00 H ATOM 1788 H VAL A 120 -7.238 33.646 12.049 1.00 0.00 H ATOM 1789 N GLN A 121 -8.994 31.463 10.197 1.00 22.60 N ATOM 1790 CA GLN A 121 -10.054 30.825 9.434 1.00 24.88 C ATOM 1791 C GLN A 121 -9.548 30.331 8.062 1.00 21.79 C ATOM 1792 O GLN A 121 -10.045 29.338 7.531 1.00 20.97 O ATOM 1793 CB GLN A 121 -11.231 31.816 9.295 1.00 29.86 C ATOM 1794 CG GLN A 121 -12.498 31.264 8.643 1.00 38.99 C ATOM 1795 CD GLN A 121 -12.412 31.225 7.120 1.00 44.95 C ATOM 1796 OE1 GLN A 121 -12.666 30.184 6.492 1.00 49.02 O ATOM 1797 NE2 GLN A 121 -12.037 32.355 6.518 1.00 46.71 N ATOM 1798 HA GLN A 121 -10.399 29.937 9.964 1.00 0.00 H ATOM 1799 HB2 GLN A 121 -11.494 32.164 10.294 1.00 0.00 H ATOM 1800 HB3 GLN A 121 -10.888 32.660 8.696 1.00 0.00 H ATOM 1801 HG2 GLN A 121 -12.665 30.251 9.009 1.00 0.00 H ATOM 1802 HG3 GLN A 121 -13.340 31.895 8.928 1.00 0.00 H ATOM 1803 HE22 GLN A 121 -11.834 33.203 7.084 1.00 0.00 H ATOM 1804 HE21 GLN A 121 -11.947 32.388 5.482 1.00 0.00 H ATOM 1805 H GLN A 121 -9.124 32.448 10.506 1.00 0.00 H ATOM 1806 N ALA A 122 -8.554 31.013 7.503 1.00 20.93 N ATOM 1807 CA ALA A 122 -7.991 30.629 6.206 1.00 19.68 C ATOM 1808 C ALA A 122 -7.386 29.219 6.216 1.00 19.99 C ATOM 1809 O ALA A 122 -7.282 28.595 5.165 1.00 18.46 O ATOM 1810 CB ALA A 122 -6.948 31.627 5.768 1.00 21.55 C ATOM 1811 HA ALA A 122 -8.818 30.623 5.497 1.00 0.00 H ATOM 1812 HB1 ALA A 122 -7.405 32.613 5.679 1.00 0.00 H ATOM 1813 HB2 ALA A 122 -6.147 31.662 6.507 1.00 0.00 H ATOM 1814 HB3 ALA A 122 -6.541 31.325 4.803 1.00 0.00 H ATOM 1815 H ALA A 122 -8.166 31.841 7.999 1.00 0.00 H ATOM 1816 N TRP A 123 -7.000 28.714 7.392 1.00 18.05 N ATOM 1817 CA TRP A 123 -6.398 27.375 7.511 1.00 16.81 C ATOM 1818 C TRP A 123 -7.381 26.250 7.237 1.00 16.48 C ATOM 1819 O TRP A 123 -6.979 25.106 7.074 1.00 18.11 O ATOM 1820 CB TRP A 123 -5.761 27.181 8.899 1.00 15.23 C ATOM 1821 CG TRP A 123 -4.486 27.927 9.018 1.00 16.53 C ATOM 1822 CD1 TRP A 123 -4.295 29.154 9.599 1.00 15.70 C ATOM 1823 CD2 TRP A 123 -3.233 27.553 8.437 1.00 16.05 C ATOM 1824 NE1 TRP A 123 -3.006 29.569 9.399 1.00 14.89 N ATOM 1825 CE2 TRP A 123 -2.329 28.606 8.690 1.00 18.08 C ATOM 1826 CE3 TRP A 123 -2.788 26.426 7.717 1.00 17.71 C ATOM 1827 CZ2 TRP A 123 -0.991 28.574 8.242 1.00 17.81 C ATOM 1828 CZ3 TRP A 123 -1.463 26.392 7.271 1.00 17.27 C ATOM 1829 CH2 TRP A 123 -0.581 27.464 7.539 1.00 18.58 C ATOM 1830 HA TRP A 123 -5.627 27.324 6.742 1.00 0.00 H ATOM 1831 HB2 TRP A 123 -6.454 27.539 9.661 1.00 0.00 H ATOM 1832 HB3 TRP A 123 -5.567 26.120 9.055 1.00 0.00 H ATOM 1833 HE1 TRP A 123 -2.604 30.469 9.730 1.00 0.00 H ATOM 1834 HD1 TRP A 123 -5.057 29.716 10.140 1.00 0.00 H ATOM 1835 HZ2 TRP A 123 -0.307 29.398 8.445 1.00 0.00 H ATOM 1836 HH2 TRP A 123 0.447 27.410 7.181 1.00 0.00 H ATOM 1837 HZ3 TRP A 123 -1.106 25.528 6.710 1.00 0.00 H ATOM 1838 HE3 TRP A 123 -3.464 25.596 7.512 1.00 0.00 H ATOM 1839 H TRP A 123 -7.129 29.285 8.251 1.00 0.00 H ATOM 1840 N ILE A 124 -8.672 26.554 7.229 1.00 18.05 N ATOM 1841 CA ILE A 124 -9.674 25.526 6.970 1.00 19.40 C ATOM 1842 C ILE A 124 -10.434 25.801 5.680 1.00 18.20 C ATOM 1843 O ILE A 124 -11.415 25.139 5.377 1.00 18.88 O ATOM 1844 CB ILE A 124 -10.661 25.363 8.157 1.00 21.25 C ATOM 1845 CG1 ILE A 124 -11.362 26.686 8.465 1.00 23.35 C ATOM 1846 CG2 ILE A 124 -9.913 24.855 9.408 1.00 19.68 C ATOM 1847 CD1 ILE A 124 -12.507 26.533 9.466 1.00 29.75 C ATOM 1848 HA ILE A 124 -9.134 24.586 6.856 1.00 0.00 H ATOM 1849 HB ILE A 124 -11.417 24.630 7.875 1.00 0.00 H ATOM 1850 HG12 ILE A 124 -10.630 27.380 8.877 1.00 0.00 H ATOM 1851 HG13 ILE A 124 -11.763 27.092 7.536 1.00 0.00 H ATOM 1852 HD11 ILE A 124 -13.252 25.848 9.062 1.00 0.00 H ATOM 1853 HD12 ILE A 124 -12.118 26.136 10.404 1.00 0.00 H ATOM 1854 HD13 ILE A 124 -12.965 27.506 9.644 1.00 0.00 H ATOM 1855 HG21 ILE A 124 -9.455 23.890 9.189 1.00 0.00 H ATOM 1856 HG22 ILE A 124 -9.139 25.572 9.683 1.00 0.00 H ATOM 1857 HG23 ILE A 124 -10.618 24.746 10.232 1.00 0.00 H ATOM 1858 H ILE A 124 -8.972 27.533 7.409 1.00 0.00 H ATOM 1859 N ARG A 125 -9.959 26.765 4.908 1.00 18.61 N ATOM 1860 CA ARG A 125 -10.602 27.097 3.656 1.00 22.68 C ATOM 1861 C ARG A 125 -10.633 25.886 2.720 1.00 22.65 C ATOM 1862 O ARG A 125 -9.724 25.060 2.730 1.00 21.81 O ATOM 1863 CB ARG A 125 -9.860 28.251 2.985 1.00 26.19 C ATOM 1864 CG ARG A 125 -8.460 27.864 2.532 1.00 30.72 C ATOM 1865 CD ARG A 125 -7.619 29.048 2.096 1.00 34.13 C ATOM 1866 NE ARG A 125 -6.385 28.587 1.464 1.00 38.90 N ATOM 1867 CZ ARG A 125 -5.310 28.152 2.118 1.00 41.46 C ATOM 1868 NH1 ARG A 125 -5.287 28.125 3.445 1.00 42.07 N ATOM 1869 NH2 ARG A 125 -4.267 27.696 1.436 1.00 44.06 N ATOM 1870 HA ARG A 125 -11.629 27.396 3.865 1.00 0.00 H ATOM 1871 HB2 ARG A 125 -10.431 28.575 2.115 1.00 0.00 H ATOM 1872 HB3 ARG A 125 -9.782 29.075 3.694 1.00 0.00 H ATOM 1873 HG2 ARG A 125 -7.954 27.366 3.359 1.00 0.00 H ATOM 1874 HG3 ARG A 125 -8.547 27.174 1.693 1.00 0.00 H ATOM 1875 HD2 ARG A 125 -7.372 29.655 2.967 1.00 0.00 H ATOM 1876 HD3 ARG A 125 -8.185 29.649 1.385 1.00 0.00 H ATOM 1877 HE ARG A 125 -6.343 28.600 0.425 1.00 0.00 H ATOM 1878 HH12 ARG A 125 -4.441 27.783 3.944 1.00 0.00 H ATOM 1879 HH11 ARG A 125 -6.115 28.446 3.986 1.00 0.00 H ATOM 1880 HH22 ARG A 125 -3.424 27.355 1.941 1.00 0.00 H ATOM 1881 HH21 ARG A 125 -4.292 27.680 0.396 1.00 0.00 H ATOM 1882 H ARG A 125 -9.112 27.291 5.205 1.00 0.00 H ATOM 1883 N GLY A 126 -11.739 25.746 1.994 1.00 24.17 N ATOM 1884 CA GLY A 126 -11.897 24.679 1.018 1.00 23.73 C ATOM 1885 C GLY A 126 -12.106 23.290 1.594 1.00 25.38 C ATOM 1886 O GLY A 126 -12.321 22.347 0.830 1.00 26.68 O ATOM 1887 HA3 GLY A 126 -11.000 24.654 0.399 1.00 0.00 H ATOM 1888 HA2 GLY A 126 -12.760 24.918 0.396 1.00 0.00 H ATOM 1889 H GLY A 126 -12.517 26.423 2.129 1.00 0.00 H ATOM 1890 N CYS A 127 -12.064 23.131 2.912 1.00 25.65 N ATOM 1891 CA CYS A 127 -12.229 21.798 3.488 1.00 26.48 C ATOM 1892 C CYS A 127 -13.689 21.412 3.693 1.00 29.05 C ATOM 1893 O CYS A 127 -14.543 22.244 3.969 1.00 28.15 O ATOM 1894 CB CYS A 127 -11.510 21.681 4.833 1.00 24.16 C ATOM 1895 SG CYS A 127 -9.792 22.250 4.856 1.00 23.96 S ATOM 1896 HA CYS A 127 -11.789 21.115 2.761 1.00 0.00 H ATOM 1897 HB2 CYS A 127 -11.520 20.632 5.128 1.00 0.00 H ATOM 1898 HB3 CYS A 127 -12.067 22.268 5.563 1.00 0.00 H ATOM 1899 H CYS A 127 -11.914 23.952 3.532 1.00 0.00 H ATOM 1900 N ARG A 128 -13.948 20.121 3.562 1.00 32.68 N ATOM 1901 CA ARG A 128 -15.261 19.562 3.796 1.00 37.17 C ATOM 1902 C ARG A 128 -15.267 18.990 5.216 1.00 39.11 C ATOM 1903 O ARG A 128 -14.696 17.921 5.469 1.00 39.76 O ATOM 1904 CB ARG A 128 -15.492 18.463 2.775 1.00 40.48 C ATOM 1905 CG ARG A 128 -16.920 18.227 2.365 1.00 44.26 C ATOM 1906 CD ARG A 128 -16.907 17.277 1.187 1.00 49.70 C ATOM 1907 NE ARG A 128 -15.933 17.739 0.199 1.00 55.82 N ATOM 1908 CZ ARG A 128 -15.604 17.098 -0.920 1.00 57.68 C ATOM 1909 NH1 ARG A 128 -16.164 15.942 -1.235 1.00 59.07 N ATOM 1910 NH2 ARG A 128 -14.735 17.649 -1.755 1.00 60.86 N ATOM 1911 HA ARG A 128 -16.050 20.308 3.698 1.00 0.00 H ATOM 1912 HB2 ARG A 128 -14.926 18.717 1.879 1.00 0.00 H ATOM 1913 HB3 ARG A 128 -15.108 17.533 3.194 1.00 0.00 H ATOM 1914 HG2 ARG A 128 -17.477 17.786 3.192 1.00 0.00 H ATOM 1915 HG3 ARG A 128 -17.385 19.170 2.077 1.00 0.00 H ATOM 1916 HD2 ARG A 128 -17.898 17.246 0.734 1.00 0.00 H ATOM 1917 HD3 ARG A 128 -16.633 16.279 1.528 1.00 0.00 H ATOM 1918 HE ARG A 128 -15.457 18.645 0.387 1.00 0.00 H ATOM 1919 HH12 ARG A 128 -15.894 15.456 -2.114 1.00 0.00 H ATOM 1920 HH11 ARG A 128 -16.874 15.519 -0.604 1.00 0.00 H ATOM 1921 HH22 ARG A 128 -14.472 17.156 -2.632 1.00 0.00 H ATOM 1922 HH21 ARG A 128 -14.316 18.575 -1.533 1.00 0.00 H ATOM 1923 H ARG A 128 -13.177 19.483 3.280 1.00 0.00 H ATOM 1924 N LEU A 129 -15.885 19.719 6.144 1.00 42.28 N ATOM 1925 CA LEU A 129 -15.894 19.335 7.564 1.00 45.79 C ATOM 1926 C LEU A 129 -17.217 18.712 8.049 1.00 48.88 C ATOM 1927 O LEU A 129 -18.218 19.445 8.256 1.00 49.68 O ATOM 1928 CB LEU A 129 -15.514 20.547 8.424 1.00 43.93 C ATOM 1929 CG LEU A 129 -14.062 21.015 8.282 1.00 42.98 C ATOM 1930 CD1 LEU A 129 -13.844 22.382 8.930 1.00 40.29 C ATOM 1931 CD2 LEU A 129 -13.160 19.961 8.897 1.00 41.82 C ATOM 1932 HA LEU A 129 -15.153 18.543 7.674 1.00 0.00 H ATOM 1933 OXT LEU A 129 -17.206 17.478 8.274 1.00 52.30 O ATOM 1934 HB2 LEU A 129 -16.165 21.376 8.146 1.00 0.00 H ATOM 1935 HB3 LEU A 129 -15.685 20.287 9.469 1.00 0.00 H ATOM 1936 HG LEU A 129 -13.821 21.136 7.226 1.00 0.00 H ATOM 1937 HD21 LEU A 129 -13.413 19.838 9.950 1.00 0.00 H ATOM 1938 HD22 LEU A 129 -13.301 19.014 8.375 1.00 0.00 H ATOM 1939 HD23 LEU A 129 -12.121 20.276 8.806 1.00 0.00 H ATOM 1940 HD11 LEU A 129 -14.491 23.117 8.451 1.00 0.00 H ATOM 1941 HD12 LEU A 129 -14.084 22.322 9.992 1.00 0.00 H ATOM 1942 HD13 LEU A 129 -12.802 22.679 8.808 1.00 0.00 H ATOM 1943 H LEU A 129 -16.377 20.588 5.855 1.00 0.00 H TER 1944 LEU A 129 HETATM 1945 O HOH 1 14.791 14.791 19.390 1.00 18.41 O HETATM 1946 O HOH 2 7.823 27.924 8.456 1.00 18.68 O HETATM 1947 O HOH 3 5.836 10.999 9.784 1.00 18.20 O HETATM 1948 O HOH 4 4.332 32.929 10.088 1.00 15.40 O HETATM 1949 O HOH 5 -11.356 28.799 12.144 1.00 12.57 O HETATM 1950 O HOH 6 7.617 28.461 14.335 1.00 20.12 O HETATM 1951 O HOH 7 0.975 36.229 15.476 1.00 21.27 O HETATM 1952 O HOH 8 -1.151 11.153 19.460 1.00 16.39 O HETATM 1953 O HOH 9 9.100 22.487 19.316 1.00 24.60 O HETATM 1954 O HOH 10 1.585 16.382 20.144 1.00 12.69 O HETATM 1955 O HOH 11 13.900 14.982 27.041 1.00 12.14 O HETATM 1956 O HOH 12 -2.044 26.706 28.822 1.00 12.98 O HETATM 1957 O HOH 13 0.421 25.812 30.017 1.00 19.54 O HETATM 1958 O HOH 14 10.083 5.996 31.545 1.00 21.63 O HETATM 1959 O HOH 15 11.407 11.918 33.190 1.00 23.55 O HETATM 1960 O HOH 16 2.424 10.180 6.020 1.00 28.44 O HETATM 1961 O HOH 17 6.203 29.665 6.432 1.00 26.83 O HETATM 1962 O HOH 18 8.410 17.784 11.178 1.00 18.14 O HETATM 1963 O HOH 19 11.514 13.436 15.388 1.00 14.21 O HETATM 1964 O HOH 20 -2.125 19.962 2.580 1.00 36.71 O HETATM 1965 O HOH 21 1.096 18.013 4.732 1.00 26.97 O HETATM 1966 O HOH 22 -2.653 32.528 10.091 1.00 26.18 O HETATM 1967 O HOH 23 7.316 24.522 11.326 1.00 28.26 O HETATM 1968 O HOH 24 -6.698 10.446 14.042 1.00 26.04 O HETATM 1969 O HOH 25 -6.288 33.765 17.280 1.00 27.90 O HETATM 1970 O HOH 26 5.963 23.275 22.794 1.00 30.06 O HETATM 1971 O HOH 27 14.842 25.772 23.920 1.00 32.71 O HETATM 1972 O HOH 28 -3.324 8.423 19.976 1.00 18.81 O HETATM 1973 O HOH 29 1.614 33.712 10.184 1.00 20.21 O HETATM 1974 O HOH 30 -14.871 19.993 17.001 1.00 23.43 O HETATM 1975 O HOH 31 1.624 13.617 17.122 1.00 21.73 O HETATM 1976 O HOH 32 -0.582 12.058 16.972 1.00 25.05 O HETATM 1977 O HOH 33 18.668 10.095 25.734 1.00 20.69 O HETATM 1978 O HOH 34 9.650 13.017 31.299 1.00 18.21 O HETATM 1979 O HOH 35 -5.892 19.737 2.435 1.00 26.76 O HETATM 1980 O HOH 36 0.117 36.034 9.000 1.00 32.53 O HETATM 1981 O HOH 37 -1.052 6.969 21.040 1.00 23.46 O HETATM 1982 O HOH 38 -15.029 23.935 26.278 1.00 36.03 O HETATM 1983 O HOH 39 -3.537 12.069 26.200 1.00 27.39 O HETATM 1984 O HOH 40 -8.743 15.497 27.949 1.00 32.60 O HETATM 1985 O HOH 41 3.792 7.900 13.735 1.00 28.22 O HETATM 1986 O HOH 42 5.313 25.918 22.869 1.00 18.23 O HETATM 1987 O HOH 43 4.984 28.404 25.997 1.00 30.63 O HETATM 1988 O HOH 44 7.709 25.439 15.839 1.00 38.08 O HETATM 1989 O HOH 45 -6.964 35.473 15.297 1.00 26.14 O HETATM 1990 O HOH 46 -6.131 16.724 3.166 1.00 28.88 O HETATM 1991 O HOH 47 -14.857 15.389 11.008 1.00 36.92 O HETATM 1992 O HOH 48 7.546 24.744 20.180 1.00 27.51 O HETATM 1993 O HOH 49 15.875 18.306 18.426 1.00 40.17 O HETATM 1994 O HOH 50 5.661 35.473 22.080 1.00 27.98 O HETATM 1995 O HOH 51 1.919 28.209 29.459 1.00 25.84 O HETATM 1996 O HOH 52 -5.507 9.915 25.921 1.00 45.09 O HETATM 1997 O HOH 53 -0.210 32.506 8.404 1.00 41.26 O HETATM 1998 O HOH 54 -7.717 28.559 29.145 1.00 25.29 O HETATM 1999 O HOH 55 -9.655 19.122 29.933 1.00 45.98 O HETATM 2000 O HOH 56 9.067 32.887 21.571 1.00 37.50 O HETATM 2001 O HOH 57 -9.050 13.152 8.535 1.00 37.09 O HETATM 2002 O HOH 58 -4.208 33.128 7.381 1.00 32.46 O HETATM 2003 O HOH 59 4.422 37.303 19.422 1.00 36.04 O HETATM 2004 O HOH 60 1.575 4.977 14.491 1.00 49.41 O HETATM 2005 O HOH 61 -14.344 24.912 5.458 1.00 55.26 O HETATM 2006 O HOH 62 -11.893 18.498 1.844 1.00 33.97 O HETATM 2007 O HOH 63 -7.738 5.746 19.893 1.00 50.98 O HETATM 2008 O HOH 64 -2.685 24.168 31.855 1.00 30.66 O HETATM 2009 O HOH 65 3.885 7.036 32.013 1.00 39.82 O HETATM 2010 O HOH 66 -0.104 38.963 22.740 1.00 39.34 O HETATM 2011 O HOH 67 -4.551 9.183 11.396 1.00 43.35 O HETATM 2012 O HOH 68 -10.120 33.874 11.629 1.00 52.36 O HETATM 2013 O HOH 69 8.114 28.132 33.444 1.00 47.78 O HETATM 2014 O HOH 70 9.790 25.386 32.903 1.00 32.97 O HETATM 2015 O HOH 71 -2.848 41.147 14.724 1.00 45.06 O HETATM 2016 O HOH 72 -4.700 24.458 -0.720 1.00 53.16 O HETATM 2017 O HOH 73 7.201 5.188 30.294 1.00 56.46 O HETATM 2018 O HOH 74 -4.344 12.873 28.512 1.00 29.39 O HETATM 2019 O HOH 75 -12.003 17.972 5.329 1.00 34.38 O HETATM 2020 O HOH 76 -2.841 22.927 1.496 1.00 51.77 O HETATM 2021 O HOH 77 -0.584 24.019 4.375 1.00 33.77 O HETATM 2022 O HOH 78 7.660 12.303 34.014 1.00 50.96 O HETATM 2023 O HOH 79 10.182 23.354 29.383 1.00 48.57 O HETATM 2024 O HOH 80 -17.311 26.179 23.031 1.00 49.91 O HETATM 2025 O HOH 81 3.296 7.267 10.992 1.00 31.79 O HETATM 2026 O HOH 82 -1.276 23.413 34.690 1.00 61.41 O HETATM 2027 O HOH 83 9.257 20.843 14.644 1.00 42.11 O HETATM 2028 O HOH 84 -11.998 31.952 13.498 1.00 57.21 O HETATM 2029 O HOH 85 8.759 24.228 24.443 1.00 62.17 O HETATM 2030 O HOH 86 -16.947 20.852 18.688 1.00 55.21 O HETATM 2031 O HOH 87 2.364 4.524 10.540 1.00 49.70 O HETATM 2032 O HOH 88 -9.720 20.141 0.071 1.00 47.10 O HETATM 2033 O HOH 89 2.831 33.186 27.190 1.00 57.38 O HETATM 2034 O HOH 90 5.740 24.751 8.845 1.00 37.48 O HETATM 2035 O HOH 91 13.762 24.816 27.807 1.00 49.51 O HETATM 2036 O HOH 92 -2.132 6.252 23.875 1.00 59.76 O HETATM 2037 O HOH 93 3.755 20.186 5.164 1.00 44.73 O HETATM 2038 O HOH 94 14.365 7.541 33.740 1.00 50.62 O HETATM 2039 O HOH 95 -4.591 6.408 21.180 1.00 50.48 O HETATM 2040 C1 MOL A 96 0.926 26.622 35.590 1.00 0.19 C HETATM 2041 C2 MOL A 96 0.633 26.132 37.011 1.00 0.12 C HETATM 2042 C3 MOL A 96 -0.730 26.686 37.441 1.00 0.11 C HETATM 2043 C4 MOL A 96 -0.686 28.219 37.370 1.00 0.11 C HETATM 2044 C5 MOL A 96 -0.346 28.619 35.925 1.00 0.11 C HETATM 2045 C6 MOL A 96 -0.280 30.111 35.672 1.00 0.07 C HETATM 2046 O6 MOL A 96 -0.358 30.387 34.279 1.00 -0.39 O HETATM 2047 H14 MOL A 96 -0.315 31.326 34.140 1.00 0.21 H HETATM 2048 H6 MOL A 96 0.670 30.503 36.065 1.00 0.06 H HETATM 2049 H7 MOL A 96 -1.120 30.602 36.185 1.00 0.06 H HETATM 2050 O5 MOL A 96 0.930 28.056 35.542 1.00 -0.34 O HETATM 2051 H5 MOL A 96 -1.129 28.201 35.275 1.00 0.06 H HETATM 2052 O4 MOL A 96 -1.945 28.770 37.750 1.00 -0.39 O HETATM 2053 H13 MOL A 96 -2.144 28.516 38.644 1.00 0.21 H HETATM 2054 H4 MOL A 96 0.092 28.597 38.050 1.00 0.06 H HETATM 2055 O3 MOL A 96 -1.059 26.249 38.753 1.00 -0.39 O HETATM 2056 H12 MOL A 96 -1.911 26.591 38.995 1.00 0.21 H HETATM 2057 H3 MOL A 96 -1.500 26.319 36.747 1.00 0.06 H HETATM 2058 N2 MOL A 96 0.625 24.680 37.049 1.00 -0.28 N HETATM 2059 C7 MOL A 96 1.670 24.001 37.525 1.00 0.17 C HETATM 2060 C8 MOL A 96 1.560 22.483 37.532 1.00 0.03 C HETATM 2061 H8 MOL A 96 2.483 22.050 37.946 1.00 0.05 H HETATM 2062 H9 MOL A 96 1.415 22.121 36.503 1.00 0.05 H HETATM 2063 H10 MOL A 96 0.703 22.180 38.151 1.00 0.05 H HETATM 2064 O7 MOL A 96 2.699 24.542 37.931 1.00 -0.40 O HETATM 2065 H11 MOL A 96 -0.175 24.182 36.714 1.00 0.19 H HETATM 2066 H2 MOL A 96 1.411 26.504 37.694 1.00 0.06 H HETATM 2067 O4 MOL A 96 2.168 26.177 35.169 1.00 -0.34 O HETATM 2068 C4 MOL A 96 2.475 26.407 33.780 1.00 0.12 C HETATM 2069 C3 MOL A 96 3.650 27.355 33.672 1.00 0.11 C HETATM 2070 C2 MOL A 96 4.087 27.493 32.230 1.00 0.12 C HETATM 2071 C1 MOL A 96 4.269 26.144 31.534 1.00 0.19 C HETATM 2072 O5 MOL A 96 3.120 25.307 31.714 1.00 -0.34 O HETATM 2073 C5 MOL A 96 2.790 25.084 33.097 1.00 0.11 C HETATM 2074 C6 MOL A 96 1.600 24.139 33.128 1.00 0.07 C HETATM 2075 O6 MOL A 96 0.460 24.736 32.520 1.00 -0.39 O HETATM 2076 H27 MOL A 96 0.659 24.947 31.615 1.00 0.21 H HETATM 2077 H20 MOL A 96 1.363 23.893 34.174 1.00 0.06 H HETATM 2078 H21 MOL A 96 1.857 23.218 32.584 1.00 0.06 H HETATM 2079 H19 MOL A 96 3.642 24.614 33.610 1.00 0.06 H HETATM 2080 O4 MOL A 96 4.392 26.386 30.176 1.00 -0.34 O HETATM 2081 C4 MOL A 96 4.978 25.373 29.348 1.00 0.12 C HETATM 2082 C3 MOL A 96 3.968 24.950 28.264 1.00 0.11 C HETATM 2083 C2 MOL A 96 4.630 24.104 27.164 1.00 0.12 C HETATM 2084 C1 MOL A 96 5.926 24.759 26.689 1.00 0.18 C HETATM 2085 O1 MOL A 96 6.580 23.901 25.817 1.00 -0.37 O HETATM 2086 H39 MOL A 96 7.390 24.303 25.527 1.00 0.21 H HETATM 2087 O5 MOL A 96 6.789 24.990 27.797 1.00 -0.34 O HETATM 2088 C5 MOL A 96 6.235 25.946 28.718 1.00 0.11 C HETATM 2089 C6 MOL A 96 7.322 26.293 29.727 1.00 0.07 C HETATM 2090 O6 MOL A 96 7.936 25.122 30.251 1.00 -0.39 O HETATM 2091 H41 MOL A 96 8.329 24.627 29.542 1.00 0.21 H HETATM 2092 H33 MOL A 96 6.874 26.863 30.554 1.00 0.06 H HETATM 2093 H34 MOL A 96 8.088 26.907 29.231 1.00 0.06 H HETATM 2094 H32 MOL A 96 5.959 26.861 28.173 1.00 0.06 H HETATM 2095 H28 MOL A 96 5.698 25.710 26.185 1.00 0.09 H HETATM 2096 N2 MOL A 96 3.737 23.947 26.023 1.00 -0.28 N HETATM 2097 C7 MOL A 96 3.469 22.738 25.534 1.00 0.17 C HETATM 2098 C8 MOL A 96 2.550 22.676 24.325 1.00 0.03 C HETATM 2099 H35 MOL A 96 2.411 21.627 24.023 1.00 0.05 H HETATM 2100 H36 MOL A 96 2.999 23.240 23.494 1.00 0.05 H HETATM 2101 H37 MOL A 96 1.575 23.116 24.582 1.00 0.05 H HETATM 2102 O7 MOL A 96 3.882 21.697 26.051 1.00 -0.40 O HETATM 2103 H38 MOL A 96 3.322 24.754 25.604 1.00 0.19 H HETATM 2104 H29 MOL A 96 4.861 23.111 27.576 1.00 0.06 H HETATM 2105 O3 MOL A 96 2.946 24.185 28.872 1.00 -0.39 O HETATM 2106 H40 MOL A 96 2.510 24.710 29.533 1.00 0.21 H HETATM 2107 H30 MOL A 96 3.533 25.852 27.809 1.00 0.06 H HETATM 2108 H31 MOL A 96 5.240 24.498 29.960 1.00 0.07 H HETATM 2109 H15 MOL A 96 5.166 25.640 31.922 1.00 0.09 H HETATM 2110 N2 MOL A 96 5.334 28.235 32.196 1.00 -0.28 N HETATM 2111 C7 MOL A 96 5.503 29.231 31.331 1.00 0.17 C HETATM 2112 C8 MOL A 96 6.841 29.961 31.353 1.00 0.03 C HETATM 2113 H22 MOL A 96 6.839 30.754 30.590 1.00 0.05 H HETATM 2114 H23 MOL A 96 7.651 29.248 31.139 1.00 0.05 H HETATM 2115 H24 MOL A 96 6.999 30.408 32.346 1.00 0.05 H HETATM 2116 O7 MOL A 96 4.630 29.578 30.535 1.00 -0.40 O HETATM 2117 H25 MOL A 96 6.071 27.996 32.828 1.00 0.19 H HETATM 2118 H16 MOL A 96 3.317 28.059 31.686 1.00 0.06 H HETATM 2119 O3 MOL A 96 3.261 28.634 34.133 1.00 -0.39 O HETATM 2120 H26 MOL A 96 2.984 28.572 35.039 1.00 0.21 H HETATM 2121 H17 MOL A 96 4.485 26.975 34.279 1.00 0.06 H HETATM 2122 H18 MOL A 96 1.602 26.863 33.289 1.00 0.07 H HETATM 2123 H1 MOL A 96 0.150 26.236 34.913 1.00 0.09 H CONECT 1 2 22 23 24 CONECT 22 1 CONECT 23 1 CONECT 24 1 CONECT 97 96 1895 CONECT 466 465 1713 CONECT 988 987 1215 CONECT 1158 1157 1402 CONECT 1215 988 1214 CONECT 1402 1158 1401 CONECT 1508 1509 1521 1522 1523 CONECT 1521 1508 CONECT 1522 1508 CONECT 1523 1508 CONECT 1713 466 1712 CONECT 1895 97 1894 CONECT 2040 2041 2050 2067 2123 CONECT 2041 2040 2042 2058 2066 CONECT 2042 2041 2043 2055 2057 CONECT 2043 2042 2044 2052 2054 CONECT 2044 2043 2045 2050 2051 CONECT 2045 2044 2046 2048 2049 CONECT 2046 2045 2047 CONECT 2047 2046 CONECT 2048 2045 CONECT 2049 2045 CONECT 2050 2040 2044 CONECT 2051 2044 CONECT 2052 2043 2053 CONECT 2053 2052 CONECT 2054 2043 CONECT 2055 2042 2056 CONECT 2056 2055 CONECT 2057 2042 CONECT 2058 2041 2059 2065 CONECT 2059 2058 2060 2064 CONECT 2060 2059 2061 2062 2063 CONECT 2061 2060 CONECT 2062 2060 CONECT 2063 2060 CONECT 2064 2059 CONECT 2065 2058 CONECT 2066 2041 CONECT 2067 2040 2068 CONECT 2068 2067 2069 2073 2122 CONECT 2069 2068 2070 2119 2121 CONECT 2070 2069 2071 2110 2118 CONECT 2071 2070 2072 2080 2109 CONECT 2072 2071 2073 CONECT 2073 2068 2072 2074 2079 CONECT 2074 2073 2075 2077 2078 CONECT 2075 2074 2076 CONECT 2076 2075 CONECT 2077 2074 CONECT 2078 2074 CONECT 2079 2073 CONECT 2080 2071 2081 CONECT 2081 2080 2082 2088 2108 CONECT 2082 2081 2083 2105 2107 CONECT 2083 2082 2084 2096 2104 CONECT 2084 2083 2085 2087 2095 CONECT 2085 2084 2086 CONECT 2086 2085 CONECT 2087 2084 2088 CONECT 2088 2081 2087 2089 2094 CONECT 2089 2088 2090 2092 2093 CONECT 2090 2089 2091 CONECT 2091 2090 CONECT 2092 2089 CONECT 2093 2089 CONECT 2094 2088 CONECT 2095 2084 CONECT 2096 2083 2097 2103 CONECT 2097 2096 2098 2102 CONECT 2098 2097 2099 2100 2101 CONECT 2099 2098 CONECT 2100 2098 CONECT 2101 2098 CONECT 2102 2097 CONECT 2103 2096 CONECT 2104 2083 CONECT 2105 2082 2106 CONECT 2106 2105 CONECT 2107 2082 CONECT 2108 2081 CONECT 2109 2071 CONECT 2110 2070 2111 2117 CONECT 2111 2110 2112 2116 CONECT 2112 2111 2113 2114 2115 CONECT 2113 2112 CONECT 2114 2112 CONECT 2115 2112 CONECT 2116 2111 CONECT 2117 2110 CONECT 2118 2070 CONECT 2119 2069 2120 CONECT 2120 2119 CONECT 2121 2069 CONECT 2122 2068 CONECT 2123 2040 MASTER 0 0 0 0 0 0 0 0 2121 2 100 11 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
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Related entries of code: 1at5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1at6
RCSB PDB
PDBbind
129aa, >1AT6_1|Chain... at 100%
1bql
RCSB PDB
PDBbind
129aa, >1BQL_3|Chain... at 96%
1dqj
RCSB PDB
PDBbind
129aa, >1DQJ_3|Chain... at 100%
1dzb
RCSB PDB
PDBbind
129aa, >1DZB_2|Chains... at 94%
1f3j
RCSB PDB
PDBbind
14aa, >1F3J_3|Chains... at 100%
1mlc
RCSB PDB
PDBbind
129aa, >1MLC_3|Chains... at 100%
1p2c
RCSB PDB
PDBbind
129aa, >1P2C_3|Chains... at 100%
2iff
RCSB PDB
PDBbind
129aa, >2IFF_3|Chain... at 99%
3g3a
RCSB PDB
PDBbind
129aa, >3G3A_2|Chains... at 100%
3g3b
RCSB PDB
PDBbind
129aa, >3G3B_2|Chains... at 100%
3m18
RCSB PDB
PDBbind
129aa, >3M18_2|Chain... at 100%
4hp0
RCSB PDB
PDBbind
129aa, >4HP0_1|Chain... at 100%
4hpi
RCSB PDB
PDBbind
129aa, >4HPI_1|Chain... at 100%
4tun
RCSB PDB
PDBbind
129aa, >4TUN_1|Chains... at 100%
4z46
RCSB PDB
PDBbind
129aa, >4Z46_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1a1b
RCSB PDB
PDBbind
3-mer
1a1c
RCSB PDB
PDBbind
3-mer
1a30
RCSB PDB
PDBbind
3-mer
1at6
RCSB PDB
PDBbind
3-mer
1b05
RCSB PDB
PDBbind
3-mer
1b0h
RCSB PDB
PDBbind
3-mer
1b1h
RCSB PDB
PDBbind
3-mer
1b2h
RCSB PDB
PDBbind
3-mer
1b32
RCSB PDB
PDBbind
3-mer
1b3f
RCSB PDB
PDBbind
3-mer
1b3g
RCSB PDB
PDBbind
3-mer
1b3h
RCSB PDB
PDBbind
3-mer
1b3l
RCSB PDB
PDBbind
3-mer
1b40
RCSB PDB
PDBbind
3-mer
1b46
RCSB PDB
PDBbind
3-mer
1b4h
RCSB PDB
PDBbind
3-mer
1b4z
RCSB PDB
PDBbind
3-mer
1b51
RCSB PDB
PDBbind
3-mer
1b52
RCSB PDB
PDBbind
3-mer
1b58
RCSB PDB
PDBbind
3-mer
1b5h
RCSB PDB
PDBbind
3-mer
1b5i
RCSB PDB
PDBbind
3-mer
1b5j
RCSB PDB
PDBbind
3-mer
1b6h
RCSB PDB
PDBbind
3-mer
1b7h
RCSB PDB
PDBbind
3-mer
1b9j
RCSB PDB
PDBbind
3-mer
1bm6
RCSB PDB
PDBbind
3-mer
1eub
RCSB PDB
PDBbind
3-mer
1fwu
RCSB PDB
PDBbind
3-mer
1fwv
RCSB PDB
PDBbind
3-mer
1gmy
RCSB PDB
PDBbind
3-mer
1hkj
RCSB PDB
PDBbind
3-mer
1hkk
RCSB PDB
PDBbind
3-mer
1hkm
RCSB PDB
PDBbind
3-mer
1jet
RCSB PDB
PDBbind
3-mer
1jeu
RCSB PDB
PDBbind
3-mer
1jev
RCSB PDB
PDBbind
3-mer
1jlx
RCSB PDB
PDBbind
3-mer
1jrs
RCSB PDB
PDBbind
3-mer
1kjr
RCSB PDB
PDBbind
3-mer
1kug
RCSB PDB
PDBbind
3-mer
1kui
RCSB PDB
PDBbind
3-mer
1kuk
RCSB PDB
PDBbind
3-mer
1ll4
RCSB PDB
PDBbind
3-mer
1m7d
RCSB PDB
PDBbind
3-mer
1mfa
RCSB PDB
PDBbind
3-mer
1mfd
RCSB PDB
PDBbind
3-mer
1nu8
RCSB PDB
PDBbind
3-mer
1ogg
RCSB PDB
PDBbind
3-mer
1qka
RCSB PDB
PDBbind
3-mer
1qkb
RCSB PDB
PDBbind
3-mer
1ule
RCSB PDB
PDBbind
3-mer
1ur9
RCSB PDB
PDBbind
3-mer
1ux7
RCSB PDB
PDBbind
3-mer
1uz8
RCSB PDB
PDBbind
3-mer
1w3l
RCSB PDB
PDBbind
3-mer
1y3g
RCSB PDB
PDBbind
3-mer
2euk
RCSB PDB
PDBbind
3-mer
2eum
RCSB PDB
PDBbind
3-mer
2evl
RCSB PDB
PDBbind
3-mer
2jdh
RCSB PDB
PDBbind
3-mer
2jdk
RCSB PDB
PDBbind
3-mer
2liq
RCSB PDB
PDBbind
3-mer
2olb
RCSB PDB
PDBbind
3-mer
2r2b
RCSB PDB
PDBbind
3-mer
2vxj
RCSB PDB
PDBbind
3-mer
2w68
RCSB PDB
PDBbind
3-mer
2w7y
RCSB PDB
PDBbind
3-mer
2wk2
RCSB PDB
PDBbind
3-mer
2wm0
RCSB PDB
PDBbind
3-mer
2xdw
RCSB PDB
PDBbind
3-mer
2xg3
RCSB PDB
PDBbind
3-mer
2yjq
RCSB PDB
PDBbind
3-mer
3afk
RCSB PDB
PDBbind
3-mer
3ap7
RCSB PDB
PDBbind
3-mer
3aya
RCSB PDB
PDBbind
3-mer
3ayd
RCSB PDB
PDBbind
3-mer
3g19
RCSB PDB
PDBbind
3-mer
3gxy
RCSB PDB
PDBbind
3-mer
3m3c
RCSB PDB
PDBbind
3-mer
3m3e
RCSB PDB
PDBbind
3-mer
3m3o
RCSB PDB
PDBbind
3-mer
3mbp
RCSB PDB
PDBbind
3-mer
3rse
RCSB PDB
PDBbind
3-mer
3tcg
RCSB PDB
PDBbind
3-mer
4bgy
RCSB PDB
PDBbind
3-mer
4bh3
RCSB PDB
PDBbind
3-mer
4bh4
RCSB PDB
PDBbind
3-mer
4c1u
RCSB PDB
PDBbind
3-mer
4d2d
RCSB PDB
PDBbind
3-mer
4dj7
RCSB PDB
PDBbind
3-mer
4g0a
RCSB PDB
PDBbind
3-mer
4g68
RCSB PDB
PDBbind
3-mer
4gzw
RCSB PDB
PDBbind
3-mer
4hpi
RCSB PDB
PDBbind
3-mer
4hxj
RCSB PDB
PDBbind
3-mer
4igq
RCSB PDB
PDBbind
3-mer
4je8
RCSB PDB
PDBbind
3-mer
4k64
RCSB PDB
PDBbind
3-mer
4k67
RCSB PDB
PDBbind
3-mer
4lbl
RCSB PDB
PDBbind
3-mer
4lbo
RCSB PDB
PDBbind
3-mer
4lkg
RCSB PDB
PDBbind
3-mer
4lkj
RCSB PDB
PDBbind
3-mer
4m7j
RCSB PDB
PDBbind
3-mer
5glu
RCSB PDB
PDBbind
3-mer
5mxo
RCSB PDB
PDBbind
3-mer
5t54
RCSB PDB
PDBbind
3-mer
5tpb
RCSB PDB
PDBbind
3-mer
5ufc
RCSB PDB
PDBbind
3-mer
5xhs
RCSB PDB
PDBbind
3-mer
6df1
RCSB PDB
PDBbind
3-mer
6df2
RCSB PDB
PDBbind
3-mer
6fhu
RCSB PDB
PDBbind
3-mer
6m9c
RCSB PDB
PDBbind
3-mer
6m9d
RCSB PDB
PDBbind
3-mer
6phx
RCSB PDB
PDBbind
3-mer
6p7p
RCSB PDB
PDBbind
3-mer
6k2n
RCSB PDB
PDBbind
3-mer
6iht
RCSB PDB
PDBbind
3-mer
6idz
RCSB PDB
PDBbind
3-mer
6idb
RCSB PDB
PDBbind
3-mer
Entry Information
PDB ID
1at5
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
lysozyme
Ligand Name
3-mer
EC.Number
E.C.3.2.1.17
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=64uM
Release Year
1998
Protein/NA Sequence
Check fasta file
Primary Reference
J.Mol.Biol. v278 pp. 231-8, 1998
Ligand Properties
Formula
C
2
4
H
4
1
N
3
O
1
6
Molecular Weight
627.593
Exact Mass
627.249
No. of atoms
84
No. of bonds
86
Polar Surface Area
295.29
LOGP Value
-6.88 (
Computed with XLOGP3
)
-5.97 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 21
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 3
Canonical SMILES
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H]([C@@H]([C@H]2O)NC(=O)C)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C)O)O)O)NC(=O)C
InChI String
InChI=1S/C24H41N3O16/c1-7(31)25-13-18(36)20(11(5-29)39-22(13)38)42-24-15(27-9(3)33)19(37)21(12(6-30)41-24)43-23-14(26-8(2)32)17(35)16(34)10(4-28)40-23/h10-24,28-30,34-38H,4-6H2,1-3H3,(H,25,31)(H,26,32)(H,27,33)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P00698
Entrez Gene ID
NCBI Entrez Gene ID:
396218
ASD
Information of known allosteric effects of PDB entries
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