Browse entries in the PDBbind-CN Database
HEADER 1AT6_COMPLEX COMPND 1AT6_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 28 GLY ASN GLY MET ASN ALA TRP VAL ALA TRP ARG ASN ARG SEQRES 2 A 28 CYS LYS GLY THR ASP VAL GLN ALA TRP ILE ARG GLY CYS SEQRES 3 A 28 ARG LEU HET MOL A 313 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 2.195 9.099 10.734 1.00 10.69 N ATOM 2 CA LYS A 1 1.302 9.450 9.610 1.00 9.94 C ATOM 3 C LYS A 1 1.330 10.962 9.375 1.00 10.98 C ATOM 4 O LYS A 1 1.300 11.742 10.325 1.00 9.78 O ATOM 5 CB LYS A 1 -0.130 9.004 9.949 1.00 9.80 C ATOM 6 CG LYS A 1 -1.193 9.592 9.046 1.00 11.39 C ATOM 7 CD LYS A 1 -2.554 9.036 9.332 1.00 9.79 C ATOM 8 CE LYS A 1 -3.574 9.641 8.377 1.00 14.66 C ATOM 9 NZ LYS A 1 -4.890 8.964 8.424 1.00 15.77 N ATOM 10 HA LYS A 1 1.640 8.946 8.704 1.00 0.00 H ATOM 11 HB2 LYS A 1 -0.178 7.918 9.871 1.00 0.00 H ATOM 12 HB3 LYS A 1 -0.348 9.303 10.974 1.00 0.00 H ATOM 13 HG2 LYS A 1 -1.218 10.672 9.191 1.00 0.00 H ATOM 14 HG3 LYS A 1 -0.935 9.371 8.010 1.00 0.00 H ATOM 15 HD2 LYS A 1 -2.537 7.954 9.204 1.00 0.00 H ATOM 16 HD3 LYS A 1 -2.834 9.275 10.358 1.00 0.00 H ATOM 17 HE2 LYS A 1 -3.183 9.570 7.362 1.00 0.00 H ATOM 18 HE3 LYS A 1 -3.714 10.690 8.638 1.00 0.00 H ATOM 19 HZ1 LYS A 1 -4.773 7.963 8.167 1.00 0.00 H ATOM 20 HZ2 LYS A 1 -5.280 9.033 9.386 1.00 0.00 H ATOM 21 HZ3 LYS A 1 -5.538 9.422 7.752 1.00 0.00 H ATOM 22 HN3 LYS A 1 1.875 9.587 11.595 1.00 0.00 H ATOM 23 HN2 LYS A 1 3.167 9.394 10.508 1.00 0.00 H ATOM 24 HN1 LYS A 1 2.170 8.071 10.887 1.00 0.00 H ATOM 25 N VAL A 2 1.460 11.375 8.122 1.00 10.95 N ATOM 26 CA VAL A 2 1.425 12.789 7.797 1.00 12.67 C ATOM 27 C VAL A 2 0.037 13.107 7.255 1.00 9.82 C ATOM 28 O VAL A 2 -0.328 12.639 6.177 1.00 11.46 O ATOM 29 CB VAL A 2 2.482 13.181 6.745 1.00 13.39 C ATOM 30 CG1 VAL A 2 2.462 14.691 6.522 1.00 13.10 C ATOM 31 CG2 VAL A 2 3.861 12.742 7.193 1.00 15.29 C ATOM 32 HA VAL A 2 1.648 13.356 8.700 1.00 0.00 H ATOM 33 HB VAL A 2 2.243 12.679 5.807 1.00 0.00 H ATOM 34 HG11 VAL A 2 1.475 14.992 6.169 1.00 0.00 H ATOM 35 HG12 VAL A 2 2.684 15.199 7.461 1.00 0.00 H ATOM 36 HG13 VAL A 2 3.212 14.957 5.777 1.00 0.00 H ATOM 37 HG21 VAL A 2 4.105 13.225 8.139 1.00 0.00 H ATOM 38 HG22 VAL A 2 3.872 11.660 7.322 1.00 0.00 H ATOM 39 HG23 VAL A 2 4.594 13.027 6.439 1.00 0.00 H ATOM 40 H VAL A 2 1.589 10.677 7.362 1.00 0.00 H ATOM 41 N PHE A 3 -0.763 13.819 8.036 1.00 8.25 N ATOM 42 CA PHE A 3 -2.127 14.152 7.650 1.00 10.10 C ATOM 43 C PHE A 3 -2.193 15.263 6.620 1.00 8.95 C ATOM 44 O PHE A 3 -1.287 16.095 6.513 1.00 11.99 O ATOM 45 CB PHE A 3 -2.907 14.670 8.856 1.00 6.93 C ATOM 46 CG PHE A 3 -3.488 13.609 9.722 1.00 9.21 C ATOM 47 CD1 PHE A 3 -2.692 12.925 10.645 1.00 8.25 C ATOM 48 CD2 PHE A 3 -4.853 13.330 9.670 1.00 6.35 C ATOM 49 CE1 PHE A 3 -3.252 11.979 11.514 1.00 6.44 C ATOM 50 CE2 PHE A 3 -5.414 12.397 10.525 1.00 10.47 C ATOM 51 CZ PHE A 3 -4.607 11.716 11.453 1.00 8.15 C ATOM 52 HA PHE A 3 -2.544 13.232 7.240 1.00 0.00 H ATOM 53 HB2 PHE A 3 -2.232 15.273 9.464 1.00 0.00 H ATOM 54 HB3 PHE A 3 -3.722 15.295 8.491 1.00 0.00 H ATOM 55 HD2 PHE A 3 -5.484 13.851 8.950 1.00 0.00 H ATOM 56 HE2 PHE A 3 -6.483 12.190 10.479 1.00 0.00 H ATOM 57 HZ PHE A 3 -5.050 10.981 12.124 1.00 0.00 H ATOM 58 HE1 PHE A 3 -2.623 11.454 12.233 1.00 0.00 H ATOM 59 HD1 PHE A 3 -1.622 13.130 10.689 1.00 0.00 H ATOM 60 H PHE A 3 -0.405 14.151 8.954 1.00 0.00 H ATOM 61 N GLY A 4 -3.259 15.229 5.828 1.00 8.09 N ATOM 62 CA GLY A 4 -3.523 16.323 4.926 1.00 5.30 C ATOM 63 C GLY A 4 -4.236 17.390 5.742 1.00 5.09 C ATOM 64 O GLY A 4 -4.757 17.065 6.821 1.00 5.13 O ATOM 65 HA3 GLY A 4 -4.157 15.990 4.104 1.00 0.00 H ATOM 66 HA2 GLY A 4 -2.588 16.716 4.526 1.00 0.00 H ATOM 67 H GLY A 4 -3.903 14.413 5.858 1.00 0.00 H ATOM 68 N ARG A 5 -4.263 18.632 5.277 1.00 5.64 N ATOM 69 CA ARG A 5 -4.906 19.718 6.008 1.00 7.83 C ATOM 70 C ARG A 5 -6.380 19.439 6.333 1.00 9.19 C ATOM 71 O ARG A 5 -6.756 19.458 7.508 1.00 6.32 O ATOM 72 CB ARG A 5 -4.753 21.034 5.248 1.00 8.14 C ATOM 73 CG ARG A 5 -5.269 22.270 5.994 1.00 11.32 C ATOM 74 CD ARG A 5 -4.923 23.532 5.221 1.00 8.04 C ATOM 75 NE ARG A 5 -5.417 23.479 3.842 1.00 16.32 N ATOM 76 CZ ARG A 5 -6.681 23.687 3.469 1.00 10.79 C ATOM 77 NH1 ARG A 5 -7.621 23.966 4.361 1.00 13.08 N ATOM 78 NH2 ARG A 5 -6.998 23.652 2.184 1.00 16.45 N ATOM 79 HA ARG A 5 -4.395 19.797 6.968 1.00 0.00 H ATOM 80 HB2 ARG A 5 -3.694 21.183 5.036 1.00 0.00 H ATOM 81 HB3 ARG A 5 -5.302 20.950 4.310 1.00 0.00 H ATOM 82 HG2 ARG A 5 -6.351 22.199 6.103 1.00 0.00 H ATOM 83 HG3 ARG A 5 -4.808 22.314 6.981 1.00 0.00 H ATOM 84 HD2 ARG A 5 -3.839 23.649 5.204 1.00 0.00 H ATOM 85 HD3 ARG A 5 -5.372 24.388 5.724 1.00 0.00 H ATOM 86 HE ARG A 5 -4.727 23.262 3.095 1.00 0.00 H ATOM 87 HH12 ARG A 5 -8.601 24.125 4.051 1.00 0.00 H ATOM 88 HH11 ARG A 5 -7.379 24.026 5.371 1.00 0.00 H ATOM 89 HH22 ARG A 5 -7.981 23.813 1.886 1.00 0.00 H ATOM 90 HH21 ARG A 5 -6.264 23.463 1.472 1.00 0.00 H ATOM 91 H ARG A 5 -3.812 18.838 4.363 1.00 0.00 H ATOM 92 N CYS A 6 -7.212 19.163 5.321 1.00 5.52 N ATOM 93 CA CYS A 6 -8.633 18.897 5.577 1.00 8.42 C ATOM 94 C CYS A 6 -8.839 17.572 6.297 1.00 10.40 C ATOM 95 O CYS A 6 -9.755 17.442 7.120 1.00 12.82 O ATOM 96 CB CYS A 6 -9.475 18.963 4.298 1.00 9.97 C ATOM 97 SG CYS A 6 -9.543 20.642 3.599 1.00 12.20 S ATOM 98 HA CYS A 6 -8.981 19.692 6.236 1.00 0.00 H ATOM 99 HB2 CYS A 6 -10.490 18.638 4.529 1.00 0.00 H ATOM 100 HB3 CYS A 6 -9.040 18.292 3.557 1.00 0.00 H ATOM 101 H CYS A 6 -6.849 19.137 4.347 1.00 0.00 H ATOM 102 N GLU A 7 -7.976 16.603 5.987 1.00 12.12 N ATOM 103 CA GLU A 7 -8.013 15.300 6.631 1.00 13.06 C ATOM 104 C GLU A 7 -7.887 15.465 8.152 1.00 8.65 C ATOM 105 O GLU A 7 -8.677 14.909 8.911 1.00 12.25 O ATOM 106 CB GLU A 7 -6.886 14.411 6.093 1.00 13.09 C ATOM 107 CG GLU A 7 -6.937 12.992 6.644 1.00 11.89 C ATOM 108 CD GLU A 7 -5.739 12.163 6.265 1.00 13.37 C ATOM 109 OE1 GLU A 7 -4.708 12.744 5.872 1.00 16.74 O ATOM 110 OE2 GLU A 7 -5.828 10.921 6.364 1.00 18.66 O ATOM 111 HA GLU A 7 -8.966 14.821 6.408 1.00 0.00 H ATOM 112 HB2 GLU A 7 -6.966 14.366 5.007 1.00 0.00 H ATOM 113 HB3 GLU A 7 -5.930 14.857 6.367 1.00 0.00 H ATOM 114 HG2 GLU A 7 -6.992 13.044 7.731 1.00 0.00 H ATOM 115 HG3 GLU A 7 -7.832 12.503 6.259 1.00 0.00 H ATOM 116 H GLU A 7 -7.254 16.786 5.261 1.00 0.00 H ATOM 117 N LEU A 8 -6.916 16.264 8.583 1.00 10.12 N ATOM 118 CA LEU A 8 -6.718 16.518 10.006 1.00 9.17 C ATOM 119 C LEU A 8 -7.871 17.343 10.557 1.00 7.70 C ATOM 120 O LEU A 8 -8.397 17.034 11.619 1.00 7.12 O ATOM 121 CB LEU A 8 -5.385 17.230 10.259 1.00 8.95 C ATOM 122 CG LEU A 8 -5.074 17.518 11.739 1.00 10.73 C ATOM 123 CD1 LEU A 8 -5.006 16.205 12.535 1.00 5.07 C ATOM 124 CD2 LEU A 8 -3.751 18.320 11.863 1.00 5.67 C ATOM 125 HA LEU A 8 -6.691 15.558 10.522 1.00 0.00 H ATOM 126 HB2 LEU A 8 -4.586 16.605 9.860 1.00 0.00 H ATOM 127 HB3 LEU A 8 -5.402 18.180 9.725 1.00 0.00 H ATOM 128 HG LEU A 8 -5.877 18.124 12.159 1.00 0.00 H ATOM 129 HD21 LEU A 8 -2.934 17.740 11.433 1.00 0.00 H ATOM 130 HD22 LEU A 8 -3.849 19.265 11.328 1.00 0.00 H ATOM 131 HD23 LEU A 8 -3.544 18.516 12.915 1.00 0.00 H ATOM 132 HD11 LEU A 8 -5.964 15.690 12.466 1.00 0.00 H ATOM 133 HD12 LEU A 8 -4.221 15.572 12.122 1.00 0.00 H ATOM 134 HD13 LEU A 8 -4.785 16.426 13.579 1.00 0.00 H ATOM 135 H LEU A 8 -6.285 16.717 7.892 1.00 0.00 H ATOM 136 N ALA A 9 -8.287 18.372 9.818 1.00 11.60 N ATOM 137 CA ALA A 9 -9.412 19.202 10.244 1.00 9.35 C ATOM 138 C ALA A 9 -10.623 18.324 10.569 1.00 8.10 C ATOM 139 O ALA A 9 -11.183 18.409 11.657 1.00 8.26 O ATOM 140 CB ALA A 9 -9.770 20.199 9.147 1.00 8.32 C ATOM 141 HA ALA A 9 -9.124 19.750 11.141 1.00 0.00 H ATOM 142 HB1 ALA A 9 -8.910 20.837 8.943 1.00 0.00 H ATOM 143 HB2 ALA A 9 -10.046 19.658 8.242 1.00 0.00 H ATOM 144 HB3 ALA A 9 -10.609 20.812 9.475 1.00 0.00 H ATOM 145 H ALA A 9 -7.803 18.588 8.923 1.00 0.00 H ATOM 146 N ALA A 10 -10.994 17.430 9.653 1.00 11.83 N ATOM 147 CA ALA A 10 -12.158 16.563 9.887 1.00 15.24 C ATOM 148 C ALA A 10 -11.977 15.684 11.116 1.00 7.99 C ATOM 149 O ALA A 10 -12.929 15.478 11.876 1.00 13.84 O ATOM 150 CB ALA A 10 -12.455 15.698 8.653 1.00 11.82 C ATOM 151 HA ALA A 10 -13.010 17.217 10.071 1.00 0.00 H ATOM 152 HB1 ALA A 10 -12.664 16.344 7.800 1.00 0.00 H ATOM 153 HB2 ALA A 10 -11.590 15.072 8.433 1.00 0.00 H ATOM 154 HB3 ALA A 10 -13.321 15.066 8.853 1.00 0.00 H ATOM 155 H ALA A 10 -10.457 17.345 8.767 1.00 0.00 H ATOM 156 N ALA A 11 -10.762 15.163 11.312 1.00 7.92 N ATOM 157 CA ALA A 11 -10.461 14.305 12.467 1.00 12.40 C ATOM 158 C ALA A 11 -10.554 15.081 13.779 1.00 9.71 C ATOM 159 O ALA A 11 -11.095 14.562 14.769 1.00 11.69 O ATOM 160 CB ALA A 11 -9.071 13.662 12.321 1.00 11.26 C ATOM 161 HA ALA A 11 -11.210 13.514 12.492 1.00 0.00 H ATOM 162 HB1 ALA A 11 -9.046 13.056 11.416 1.00 0.00 H ATOM 163 HB2 ALA A 11 -8.315 14.445 12.257 1.00 0.00 H ATOM 164 HB3 ALA A 11 -8.871 13.032 13.188 1.00 0.00 H ATOM 165 H ALA A 11 -10.007 15.371 10.627 1.00 0.00 H ATOM 166 N MET A 12 -10.013 16.305 13.796 1.00 9.67 N ATOM 167 CA MET A 12 -10.055 17.152 14.996 1.00 10.98 C ATOM 168 C MET A 12 -11.489 17.545 15.322 1.00 12.26 C ATOM 169 O MET A 12 -11.904 17.537 16.488 1.00 9.81 O ATOM 170 CB MET A 12 -9.190 18.398 14.824 1.00 8.10 C ATOM 171 CG MET A 12 -7.701 18.123 14.934 1.00 4.33 C ATOM 172 SD MET A 12 -6.778 19.615 14.574 1.00 8.40 S ATOM 173 CE MET A 12 -5.198 19.268 15.483 1.00 6.26 C ATOM 174 HA MET A 12 -9.652 16.573 15.827 1.00 0.00 H ATOM 175 HB2 MET A 12 -9.390 18.824 13.841 1.00 0.00 H ATOM 176 HB3 MET A 12 -9.466 19.118 15.594 1.00 0.00 H ATOM 177 HG2 MET A 12 -7.423 17.345 14.223 1.00 0.00 H ATOM 178 HG3 MET A 12 -7.469 17.789 15.945 1.00 0.00 H ATOM 179 HE1 MET A 12 -5.413 19.130 16.543 1.00 0.00 H ATOM 180 HE2 MET A 12 -4.741 18.363 15.083 1.00 0.00 H ATOM 181 HE3 MET A 12 -4.515 20.108 15.356 1.00 0.00 H ATOM 182 H MET A 12 -9.551 16.666 12.937 1.00 0.00 H ATOM 183 N LYS A 13 -12.255 17.859 14.284 1.00 14.52 N ATOM 184 CA LYS A 13 -13.665 18.220 14.455 1.00 11.65 C ATOM 185 C LYS A 13 -14.456 17.037 15.016 1.00 14.57 C ATOM 186 O LYS A 13 -15.273 17.199 15.931 1.00 14.66 O ATOM 187 CB LYS A 13 -14.257 18.651 13.119 1.00 16.92 C ATOM 188 CG LYS A 13 -15.739 18.935 13.133 1.00 17.38 C ATOM 189 CD LYS A 13 -16.119 19.481 11.769 1.00 23.27 C ATOM 190 CE LYS A 13 -16.841 20.808 11.873 1.00 24.44 C ATOM 191 NZ LYS A 13 -18.287 20.597 11.894 1.00 28.47 N ATOM 192 HA LYS A 13 -13.729 19.049 15.160 1.00 0.00 H ATOM 193 HB2 LYS A 13 -13.743 19.557 12.799 1.00 0.00 H ATOM 194 HB3 LYS A 13 -14.073 17.856 12.396 1.00 0.00 H ATOM 195 HG2 LYS A 13 -16.291 18.017 13.332 1.00 0.00 H ATOM 196 HG3 LYS A 13 -15.969 19.670 13.904 1.00 0.00 H ATOM 197 HD2 LYS A 13 -15.213 19.618 11.179 1.00 0.00 H ATOM 198 HD3 LYS A 13 -16.771 18.763 11.271 1.00 0.00 H ATOM 199 HE2 LYS A 13 -16.580 21.428 11.015 1.00 0.00 H ATOM 200 HE3 LYS A 13 -16.537 21.312 12.790 1.00 0.00 H ATOM 201 HZ1 LYS A 13 -18.579 20.118 11.018 1.00 0.00 H ATOM 202 HZ2 LYS A 13 -18.538 20.008 12.713 1.00 0.00 H ATOM 203 HZ3 LYS A 13 -18.769 21.516 11.966 1.00 0.00 H ATOM 204 H LYS A 13 -11.845 17.849 13.328 1.00 0.00 H ATOM 205 N ARG A 14 -14.182 15.846 14.489 1.00 13.35 N ATOM 206 CA ARG A 14 -14.868 14.634 14.934 1.00 16.54 C ATOM 207 C ARG A 14 -14.603 14.356 16.397 1.00 15.30 C ATOM 208 O ARG A 14 -15.480 13.880 17.108 1.00 13.89 O ATOM 209 CB ARG A 14 -14.432 13.433 14.112 1.00 14.87 C ATOM 210 CG ARG A 14 -15.132 12.181 14.512 1.00 15.83 C ATOM 211 CD ARG A 14 -14.527 11.050 13.791 1.00 18.12 C ATOM 212 NE ARG A 14 -13.732 10.235 14.690 1.00 22.64 N ATOM 213 CZ ARG A 14 -12.457 9.931 14.496 1.00 18.88 C ATOM 214 NH1 ARG A 14 -11.796 10.386 13.426 1.00 21.55 N ATOM 215 NH2 ARG A 14 -11.871 9.096 15.338 1.00 20.47 N ATOM 216 HA ARG A 14 -15.936 14.801 14.794 1.00 0.00 H ATOM 217 HB2 ARG A 14 -14.645 13.632 13.062 1.00 0.00 H ATOM 218 HB3 ARG A 14 -13.359 13.291 14.243 1.00 0.00 H ATOM 219 HG2 ARG A 14 -15.027 12.029 15.586 1.00 0.00 H ATOM 220 HG3 ARG A 14 -16.189 12.255 14.258 1.00 0.00 H ATOM 221 HD2 ARG A 14 -13.888 11.433 12.995 1.00 0.00 H ATOM 222 HD3 ARG A 14 -15.318 10.438 13.357 1.00 0.00 H ATOM 223 HE ARG A 14 -14.194 9.864 15.545 1.00 0.00 H ATOM 224 HH12 ARG A 14 -10.795 10.138 13.289 1.00 0.00 H ATOM 225 HH11 ARG A 14 -12.283 10.988 12.731 1.00 0.00 H ATOM 226 HH22 ARG A 14 -10.871 8.842 15.207 1.00 0.00 H ATOM 227 HH21 ARG A 14 -12.410 8.694 16.131 1.00 0.00 H ATOM 228 H ARG A 14 -13.462 15.776 13.742 1.00 0.00 H ATOM 229 N HIS A 15 -13.403 14.703 16.855 1.00 12.04 N ATOM 230 CA HIS A 15 -13.028 14.481 18.253 1.00 13.66 C ATOM 231 C HIS A 15 -13.471 15.606 19.181 1.00 15.20 C ATOM 232 O HIS A 15 -13.071 15.622 20.346 1.00 15.34 O ATOM 233 CB HIS A 15 -11.526 14.269 18.385 1.00 16.00 C ATOM 234 CG HIS A 15 -11.087 12.876 18.066 1.00 13.52 C ATOM 235 ND1 HIS A 15 -10.513 12.534 16.860 1.00 15.13 N ATOM 236 CD2 HIS A 15 -11.126 11.740 18.800 1.00 12.32 C ATOM 237 CE1 HIS A 15 -10.212 11.250 16.866 1.00 13.47 C ATOM 238 NE2 HIS A 15 -10.573 10.743 18.030 1.00 12.03 N ATOM 239 HA HIS A 15 -13.556 13.580 18.564 1.00 0.00 H ATOM 240 HB2 HIS A 15 -11.020 14.954 17.705 1.00 0.00 H ATOM 241 HB3 HIS A 15 -11.235 14.496 19.411 1.00 0.00 H ATOM 242 HD2 HIS A 15 -11.521 11.635 19.810 1.00 0.00 H ATOM 243 HE1 HIS A 15 -9.745 10.701 16.049 1.00 0.00 H ATOM 244 H HIS A 15 -12.717 15.141 16.207 1.00 0.00 H ATOM 245 N GLY A 16 -14.236 16.565 18.658 1.00 15.95 N ATOM 246 CA GLY A 16 -14.741 17.663 19.476 1.00 14.58 C ATOM 247 C GLY A 16 -13.749 18.796 19.765 1.00 16.38 C ATOM 248 O GLY A 16 -13.907 19.491 20.769 1.00 15.53 O ATOM 249 HA3 GLY A 16 -15.061 17.248 20.432 1.00 0.00 H ATOM 250 HA2 GLY A 16 -15.600 18.094 18.962 1.00 0.00 H ATOM 251 H GLY A 16 -14.478 16.530 17.647 1.00 0.00 H ATOM 252 N LEU A 17 -12.736 19.003 18.928 1.00 15.83 N ATOM 253 CA LEU A 17 -11.799 20.106 19.162 1.00 15.66 C ATOM 254 C LEU A 17 -12.313 21.430 18.587 1.00 18.02 C ATOM 255 O LEU A 17 -11.827 22.494 18.974 1.00 17.65 O ATOM 256 CB LEU A 17 -10.408 19.822 18.581 1.00 12.06 C ATOM 257 CG LEU A 17 -9.362 19.086 19.405 1.00 14.72 C ATOM 258 CD1 LEU A 17 -8.039 19.144 18.629 1.00 14.66 C ATOM 259 CD2 LEU A 17 -9.211 19.745 20.782 1.00 12.00 C ATOM 260 HA LEU A 17 -11.719 20.193 20.246 1.00 0.00 H ATOM 261 HB2 LEU A 17 -10.562 19.236 17.675 1.00 0.00 H ATOM 262 HB3 LEU A 17 -9.976 20.788 18.318 1.00 0.00 H ATOM 263 HG LEU A 17 -9.659 18.050 19.568 1.00 0.00 H ATOM 264 HD21 LEU A 17 -8.901 20.782 20.655 1.00 0.00 H ATOM 265 HD22 LEU A 17 -10.166 19.712 21.306 1.00 0.00 H ATOM 266 HD23 LEU A 17 -8.459 19.208 21.360 1.00 0.00 H ATOM 267 HD11 LEU A 17 -8.167 18.664 17.659 1.00 0.00 H ATOM 268 HD12 LEU A 17 -7.749 20.185 18.486 1.00 0.00 H ATOM 269 HD13 LEU A 17 -7.265 18.624 19.194 1.00 0.00 H ATOM 270 H LEU A 17 -12.608 18.380 18.105 1.00 0.00 H ATOM 271 N ASP A 18 -13.266 21.384 17.656 1.00 16.48 N ATOM 272 CA ASP A 18 -13.805 22.611 17.069 1.00 20.69 C ATOM 273 C ASP A 18 -14.537 23.422 18.137 1.00 20.15 C ATOM 274 O ASP A 18 -15.506 22.953 18.740 1.00 18.88 O ATOM 275 CB ASP A 18 -14.734 22.299 15.884 1.00 22.79 C ATOM 276 CG ASP A 18 -15.241 23.558 15.167 1.00 29.44 C ATOM 277 OD1 ASP A 18 -14.613 24.644 15.271 1.00 29.96 O ATOM 278 OD2 ASP A 18 -16.278 23.453 14.469 1.00 28.00 O ATOM 279 HA ASP A 18 -12.975 23.204 16.686 1.00 0.00 H ATOM 280 HB2 ASP A 18 -14.187 21.687 15.166 1.00 0.00 H ATOM 281 HB3 ASP A 18 -15.594 21.741 16.255 1.00 0.00 H ATOM 282 H ASP A 18 -13.632 20.462 17.342 1.00 0.00 H ATOM 283 N ASN A 19 -14.018 24.619 18.395 1.00 18.43 N ATOM 284 CA ASN A 19 -14.550 25.537 19.393 1.00 19.14 C ATOM 285 C ASN A 19 -14.306 25.011 20.809 1.00 16.42 C ATOM 286 O ASN A 19 -14.936 25.483 21.758 1.00 21.56 O ATOM 287 CB ASN A 19 -16.051 25.826 19.187 1.00 21.56 C ATOM 288 CG ASN A 19 -16.384 26.302 17.770 1.00 26.72 C ATOM 289 OD1 ASN A 19 -15.806 27.264 17.259 1.00 31.30 O ATOM 290 ND2 ASN A 19 -17.325 25.613 17.126 1.00 27.46 N ATOM 291 HA ASN A 19 -14.014 26.477 19.265 1.00 0.00 H ATOM 292 HB2 ASN A 19 -16.611 24.912 19.386 1.00 0.00 H ATOM 293 HB3 ASN A 19 -16.356 26.599 19.893 1.00 0.00 H ATOM 294 HD22 ASN A 19 -17.790 24.807 17.591 1.00 0.00 H ATOM 295 HD21 ASN A 19 -17.595 25.881 16.158 1.00 0.00 H ATOM 296 H ASN A 19 -13.183 24.917 17.852 1.00 0.00 H ATOM 297 N TYR A 20 -13.392 24.051 20.975 1.00 15.78 N ATOM 298 CA TYR A 20 -13.122 23.542 22.316 1.00 16.69 C ATOM 299 C TYR A 20 -12.509 24.657 23.165 1.00 11.45 C ATOM 300 O TYR A 20 -11.496 25.240 22.785 1.00 9.71 O ATOM 301 CB TYR A 20 -12.206 22.319 22.296 1.00 13.17 C ATOM 302 CG TYR A 20 -12.123 21.648 23.650 1.00 11.34 C ATOM 303 CD1 TYR A 20 -13.158 20.825 24.112 1.00 13.54 C ATOM 304 CD2 TYR A 20 -11.033 21.867 24.491 1.00 13.48 C ATOM 305 CE1 TYR A 20 -13.108 20.236 25.381 1.00 12.36 C ATOM 306 CE2 TYR A 20 -10.970 21.282 25.765 1.00 11.85 C ATOM 307 CZ TYR A 20 -12.009 20.470 26.202 1.00 10.24 C ATOM 308 OH TYR A 20 -11.938 19.883 27.447 1.00 14.19 O ATOM 309 HA TYR A 20 -14.067 23.220 22.753 1.00 0.00 H ATOM 310 HB3 TYR A 20 -11.206 22.633 21.997 1.00 0.00 H ATOM 311 HB2 TYR A 20 -12.592 21.602 21.571 1.00 0.00 H ATOM 312 HD2 TYR A 20 -10.215 22.504 24.153 1.00 0.00 H ATOM 313 HE2 TYR A 20 -10.110 21.464 26.409 1.00 0.00 H ATOM 314 HE1 TYR A 20 -13.924 19.599 25.723 1.00 0.00 H ATOM 315 HD1 TYR A 20 -14.020 20.639 23.471 1.00 0.00 H ATOM 316 HH TYR A 20 -12.752 19.341 27.602 1.00 0.00 H ATOM 317 H TYR A 20 -12.877 23.670 20.156 1.00 0.00 H ATOM 318 N ARG A 21 -13.165 24.989 24.274 1.00 15.43 N ATOM 319 CA ARG A 21 -12.731 26.083 25.151 1.00 13.83 C ATOM 320 C ARG A 21 -12.736 27.415 24.402 1.00 16.53 C ATOM 321 O ARG A 21 -11.996 28.341 24.742 1.00 12.56 O ATOM 322 CB ARG A 21 -11.346 25.822 25.746 1.00 20.95 C ATOM 323 CG ARG A 21 -11.297 24.640 26.699 1.00 18.53 C ATOM 324 CD ARG A 21 -12.366 24.743 27.789 1.00 23.94 C ATOM 325 NE ARG A 21 -12.176 23.720 28.811 1.00 29.66 N ATOM 326 CZ ARG A 21 -13.056 22.766 29.100 1.00 32.05 C ATOM 327 NH1 ARG A 21 -14.212 22.695 28.447 1.00 31.41 N ATOM 328 NH2 ARG A 21 -12.756 21.848 30.012 1.00 34.24 N ATOM 329 HA ARG A 21 -13.445 26.135 25.973 1.00 0.00 H ATOM 330 HB2 ARG A 21 -10.651 25.632 24.928 1.00 0.00 H ATOM 331 HB3 ARG A 21 -11.032 26.714 26.289 1.00 0.00 H ATOM 332 HG2 ARG A 21 -11.458 23.723 26.132 1.00 0.00 H ATOM 333 HG3 ARG A 21 -10.315 24.607 27.170 1.00 0.00 H ATOM 334 HD2 ARG A 21 -13.349 24.616 27.336 1.00 0.00 H ATOM 335 HD3 ARG A 21 -12.306 25.727 28.255 1.00 0.00 H ATOM 336 HE ARG A 21 -11.288 23.738 29.353 1.00 0.00 H ATOM 337 HH12 ARG A 21 -14.895 21.946 28.679 1.00 0.00 H ATOM 338 HH11 ARG A 21 -14.433 23.389 27.704 1.00 0.00 H ATOM 339 HH22 ARG A 21 -13.441 21.100 30.242 1.00 0.00 H ATOM 340 HH21 ARG A 21 -11.836 21.877 30.496 1.00 0.00 H ATOM 341 H ARG A 21 -14.019 24.452 24.529 1.00 0.00 H ATOM 342 N GLY A 22 -13.540 27.481 23.346 1.00 13.27 N ATOM 343 CA GLY A 22 -13.646 28.697 22.562 1.00 9.68 C ATOM 344 C GLY A 22 -12.640 28.804 21.433 1.00 8.59 C ATOM 345 O GLY A 22 -12.647 29.789 20.713 1.00 6.47 O ATOM 346 HA3 GLY A 22 -13.502 29.547 23.229 1.00 0.00 H ATOM 347 HA2 GLY A 22 -14.647 28.740 22.132 1.00 0.00 H ATOM 348 H GLY A 22 -14.102 26.648 23.077 1.00 0.00 H ATOM 349 N TYR A 23 -11.789 27.800 21.259 1.00 11.80 N ATOM 350 CA TYR A 23 -10.790 27.821 20.198 1.00 8.13 C ATOM 351 C TYR A 23 -11.326 27.150 18.945 1.00 8.89 C ATOM 352 O TYR A 23 -11.584 25.954 18.954 1.00 11.97 O ATOM 353 CB TYR A 23 -9.509 27.131 20.676 1.00 8.27 C ATOM 354 CG TYR A 23 -8.794 27.914 21.755 1.00 5.93 C ATOM 355 CD1 TYR A 23 -7.936 28.975 21.425 1.00 8.18 C ATOM 356 CD2 TYR A 23 -8.985 27.614 23.110 1.00 6.94 C ATOM 357 CE1 TYR A 23 -7.284 29.717 22.417 1.00 6.10 C ATOM 358 CE2 TYR A 23 -8.336 28.360 24.119 1.00 7.16 C ATOM 359 CZ TYR A 23 -7.491 29.407 23.764 1.00 9.58 C ATOM 360 OH TYR A 23 -6.860 30.148 24.748 1.00 8.82 O ATOM 361 HA TYR A 23 -10.559 28.857 19.952 1.00 0.00 H ATOM 362 HB3 TYR A 23 -8.837 27.014 19.826 1.00 0.00 H ATOM 363 HB2 TYR A 23 -9.768 26.148 21.071 1.00 0.00 H ATOM 364 HD2 TYR A 23 -9.644 26.792 23.390 1.00 0.00 H ATOM 365 HE2 TYR A 23 -8.496 28.117 25.169 1.00 0.00 H ATOM 366 HE1 TYR A 23 -6.617 30.534 22.140 1.00 0.00 H ATOM 367 HD1 TYR A 23 -7.774 29.226 20.377 1.00 0.00 H ATOM 368 HH TYR A 23 -7.541 30.574 25.327 1.00 0.00 H ATOM 369 H TYR A 23 -11.836 26.979 21.895 1.00 0.00 H ATOM 370 N SER A 24 -11.510 27.928 17.882 1.00 10.52 N ATOM 371 CA SER A 24 -12.042 27.429 16.613 1.00 8.95 C ATOM 372 C SER A 24 -11.128 26.364 15.996 1.00 8.96 C ATOM 373 O SER A 24 -9.924 26.329 16.268 1.00 7.71 O ATOM 374 CB SER A 24 -12.228 28.588 15.630 1.00 11.98 C ATOM 375 OG SER A 24 -10.983 29.052 15.125 1.00 13.70 O ATOM 376 HA SER A 24 -13.007 26.965 16.817 1.00 0.00 H ATOM 377 HB2 SER A 24 -12.730 29.409 16.142 1.00 0.00 H ATOM 378 HB3 SER A 24 -12.844 28.250 14.797 1.00 0.00 H ATOM 379 HG SER A 24 -11.142 29.799 14.495 1.00 0.00 H ATOM 380 H SER A 24 -11.265 28.936 17.956 1.00 0.00 H ATOM 381 N LEU A 25 -11.693 25.567 15.097 1.00 11.54 N ATOM 382 CA LEU A 25 -10.975 24.482 14.434 1.00 11.47 C ATOM 383 C LEU A 25 -9.718 24.982 13.731 1.00 9.15 C ATOM 384 O LEU A 25 -8.672 24.319 13.768 1.00 6.38 O ATOM 385 CB LEU A 25 -11.906 23.755 13.453 1.00 6.72 C ATOM 386 CG LEU A 25 -11.403 22.444 12.841 1.00 10.04 C ATOM 387 CD1 LEU A 25 -11.086 21.425 13.935 1.00 8.45 C ATOM 388 CD2 LEU A 25 -12.466 21.896 11.931 1.00 9.03 C ATOM 389 HA LEU A 25 -10.651 23.775 15.198 1.00 0.00 H ATOM 390 HB2 LEU A 25 -12.832 23.534 13.984 1.00 0.00 H ATOM 391 HB3 LEU A 25 -12.115 24.440 12.631 1.00 0.00 H ATOM 392 HG LEU A 25 -10.489 22.638 12.279 1.00 0.00 H ATOM 393 HD21 LEU A 25 -13.374 21.712 12.505 1.00 0.00 H ATOM 394 HD22 LEU A 25 -12.674 22.618 11.141 1.00 0.00 H ATOM 395 HD23 LEU A 25 -12.118 20.962 11.489 1.00 0.00 H ATOM 396 HD11 LEU A 25 -10.315 21.827 14.592 1.00 0.00 H ATOM 397 HD12 LEU A 25 -11.988 21.222 14.513 1.00 0.00 H ATOM 398 HD13 LEU A 25 -10.730 20.502 13.478 1.00 0.00 H ATOM 399 H LEU A 25 -12.692 25.722 14.854 1.00 0.00 H ATOM 400 N GLY A 26 -9.803 26.176 13.147 1.00 6.86 N ATOM 401 CA GLY A 26 -8.660 26.753 12.452 1.00 8.27 C ATOM 402 C GLY A 26 -7.450 26.932 13.360 1.00 4.25 C ATOM 403 O GLY A 26 -6.308 26.738 12.936 1.00 5.86 O ATOM 404 HA3 GLY A 26 -8.947 27.727 12.057 1.00 0.00 H ATOM 405 HA2 GLY A 26 -8.384 26.095 11.628 1.00 0.00 H ATOM 406 H GLY A 26 -10.698 26.704 13.188 1.00 0.00 H ATOM 407 N ASN A 27 -7.704 27.291 14.614 1.00 6.69 N ATOM 408 CA ASN A 27 -6.636 27.471 15.596 1.00 6.77 C ATOM 409 C ASN A 27 -5.879 26.158 15.845 1.00 5.96 C ATOM 410 O ASN A 27 -4.649 26.143 15.906 1.00 5.01 O ATOM 411 CB ASN A 27 -7.199 28.001 16.922 1.00 8.29 C ATOM 412 CG ASN A 27 -7.415 29.497 16.906 1.00 7.74 C ATOM 413 OD1 ASN A 27 -6.483 30.266 17.117 1.00 6.34 O ATOM 414 ND2 ASN A 27 -8.641 29.921 16.643 1.00 12.97 N ATOM 415 HA ASN A 27 -5.938 28.202 15.187 1.00 0.00 H ATOM 416 HB2 ASN A 27 -8.154 27.512 17.116 1.00 0.00 H ATOM 417 HB3 ASN A 27 -6.499 27.758 17.721 1.00 0.00 H ATOM 418 HD22 ASN A 27 -9.403 29.234 16.470 1.00 0.00 H ATOM 419 HD21 ASN A 27 -8.843 30.941 16.609 1.00 0.00 H ATOM 420 H ASN A 27 -8.690 27.448 14.905 1.00 0.00 H ATOM 421 N TRP A 28 -6.625 25.063 15.962 1.00 3.59 N ATOM 422 CA TRP A 28 -6.050 23.746 16.192 1.00 5.08 C ATOM 423 C TRP A 28 -5.298 23.221 14.966 1.00 8.77 C ATOM 424 O TRP A 28 -4.254 22.571 15.107 1.00 5.82 O ATOM 425 CB TRP A 28 -7.142 22.769 16.616 1.00 7.20 C ATOM 426 CG TRP A 28 -7.748 23.134 17.929 1.00 7.86 C ATOM 427 CD1 TRP A 28 -8.956 23.745 18.132 1.00 9.60 C ATOM 428 CD2 TRP A 28 -7.191 22.908 19.229 1.00 5.31 C ATOM 429 NE1 TRP A 28 -9.184 23.904 19.481 1.00 7.06 N ATOM 430 CE2 TRP A 28 -8.118 23.401 20.179 1.00 7.71 C ATOM 431 CE3 TRP A 28 -5.992 22.329 19.690 1.00 6.14 C ATOM 432 CZ2 TRP A 28 -7.884 23.334 21.566 1.00 6.23 C ATOM 433 CZ3 TRP A 28 -5.767 22.263 21.058 1.00 5.01 C ATOM 434 CH2 TRP A 28 -6.713 22.766 21.985 1.00 5.08 C ATOM 435 HA TRP A 28 -5.319 23.839 16.995 1.00 0.00 H ATOM 436 HB2 TRP A 28 -7.924 22.766 15.857 1.00 0.00 H ATOM 437 HB3 TRP A 28 -6.710 21.772 16.694 1.00 0.00 H ATOM 438 HE1 TRP A 28 -10.030 24.337 19.902 1.00 0.00 H ATOM 439 HD1 TRP A 28 -9.638 24.060 17.342 1.00 0.00 H ATOM 440 HZ2 TRP A 28 -8.611 23.721 22.280 1.00 0.00 H ATOM 441 HH2 TRP A 28 -6.503 22.699 23.053 1.00 0.00 H ATOM 442 HZ3 TRP A 28 -4.844 21.815 21.427 1.00 0.00 H ATOM 443 HE3 TRP A 28 -5.256 21.941 18.986 1.00 0.00 H ATOM 444 H TRP A 28 -7.658 25.151 15.886 1.00 0.00 H ATOM 445 N VAL A 29 -5.827 23.468 13.769 1.00 6.93 N ATOM 446 CA VAL A 29 -5.149 23.026 12.545 1.00 4.76 C ATOM 447 C VAL A 29 -3.857 23.828 12.372 1.00 4.78 C ATOM 448 O VAL A 29 -2.790 23.278 12.080 1.00 6.61 O ATOM 449 CB VAL A 29 -6.076 23.172 11.282 1.00 4.24 C ATOM 450 CG1 VAL A 29 -5.309 22.849 9.986 1.00 6.33 C ATOM 451 CG2 VAL A 29 -7.287 22.257 11.418 1.00 0.50 C ATOM 452 HA VAL A 29 -4.910 21.967 12.639 1.00 0.00 H ATOM 453 HB VAL A 29 -6.411 24.208 11.224 1.00 0.00 H ATOM 454 HG11 VAL A 29 -4.469 23.535 9.882 1.00 0.00 H ATOM 455 HG12 VAL A 29 -4.940 21.824 10.030 1.00 0.00 H ATOM 456 HG13 VAL A 29 -5.978 22.959 9.132 1.00 0.00 H ATOM 457 HG21 VAL A 29 -6.952 21.223 11.501 1.00 0.00 H ATOM 458 HG22 VAL A 29 -7.849 22.531 12.311 1.00 0.00 H ATOM 459 HG23 VAL A 29 -7.923 22.365 10.539 1.00 0.00 H ATOM 460 H VAL A 29 -6.730 23.979 13.701 1.00 0.00 H ATOM 461 N CYS A 30 -3.959 25.135 12.599 1.00 6.52 N ATOM 462 CA CYS A 30 -2.818 26.026 12.498 1.00 3.34 C ATOM 463 C CYS A 30 -1.718 25.605 13.493 1.00 3.76 C ATOM 464 O CYS A 30 -0.526 25.537 13.141 1.00 5.87 O ATOM 465 CB CYS A 30 -3.262 27.462 12.777 1.00 2.92 C ATOM 466 SG CYS A 30 -1.952 28.704 12.550 1.00 4.92 S ATOM 467 HA CYS A 30 -2.410 25.967 11.489 1.00 0.00 H ATOM 468 HB2 CYS A 30 -3.612 27.518 13.808 1.00 0.00 H ATOM 469 HB3 CYS A 30 -4.083 27.704 12.102 1.00 0.00 H ATOM 470 H CYS A 30 -4.886 25.531 12.857 1.00 0.00 H ATOM 471 N ALA A 31 -2.122 25.311 14.726 1.00 5.95 N ATOM 472 CA ALA A 31 -1.178 24.868 15.747 1.00 7.52 C ATOM 473 C ALA A 31 -0.472 23.584 15.288 1.00 6.61 C ATOM 474 O ALA A 31 0.754 23.493 15.343 1.00 8.42 O ATOM 475 CB ALA A 31 -1.912 24.633 17.076 1.00 4.18 C ATOM 476 HA ALA A 31 -0.427 25.643 15.898 1.00 0.00 H ATOM 477 HB1 ALA A 31 -2.381 25.562 17.400 1.00 0.00 H ATOM 478 HB2 ALA A 31 -2.676 23.868 16.937 1.00 0.00 H ATOM 479 HB3 ALA A 31 -1.198 24.303 17.830 1.00 0.00 H ATOM 480 H ALA A 31 -3.130 25.399 14.967 1.00 0.00 H ATOM 481 N ALA A 32 -1.242 22.612 14.797 1.00 5.06 N ATOM 482 CA ALA A 32 -0.674 21.343 14.321 1.00 6.26 C ATOM 483 C ALA A 32 0.300 21.565 13.169 1.00 5.99 C ATOM 484 O ALA A 32 1.387 20.974 13.127 1.00 4.91 O ATOM 485 CB ALA A 32 -1.788 20.368 13.898 1.00 7.29 C ATOM 486 HA ALA A 32 -0.121 20.902 15.150 1.00 0.00 H ATOM 487 HB1 ALA A 32 -2.435 20.165 14.751 1.00 0.00 H ATOM 488 HB2 ALA A 32 -2.374 20.814 13.094 1.00 0.00 H ATOM 489 HB3 ALA A 32 -1.341 19.437 13.550 1.00 0.00 H ATOM 490 H ALA A 32 -2.271 22.756 14.750 1.00 0.00 H ATOM 491 N LYS A 33 -0.086 22.408 12.223 1.00 4.19 N ATOM 492 CA LYS A 33 0.767 22.707 11.086 1.00 7.00 C ATOM 493 C LYS A 33 2.135 23.228 11.521 1.00 5.52 C ATOM 494 O LYS A 33 3.167 22.712 11.100 1.00 5.20 O ATOM 495 CB LYS A 33 0.106 23.761 10.190 1.00 6.87 C ATOM 496 CG LYS A 33 1.039 24.352 9.129 1.00 11.11 C ATOM 497 CD LYS A 33 1.456 23.319 8.098 1.00 13.24 C ATOM 498 CE LYS A 33 2.444 23.934 7.109 1.00 13.40 C ATOM 499 NZ LYS A 33 2.778 22.982 6.017 1.00 14.50 N ATOM 500 HA LYS A 33 0.906 21.775 10.538 1.00 0.00 H ATOM 501 HB2 LYS A 33 -0.740 23.298 9.683 1.00 0.00 H ATOM 502 HB3 LYS A 33 -0.252 24.573 10.823 1.00 0.00 H ATOM 503 HG2 LYS A 33 0.523 25.167 8.622 1.00 0.00 H ATOM 504 HG3 LYS A 33 1.932 24.738 9.621 1.00 0.00 H ATOM 505 HD2 LYS A 33 1.928 22.476 8.602 1.00 0.00 H ATOM 506 HD3 LYS A 33 0.575 22.971 7.559 1.00 0.00 H ATOM 507 HE2 LYS A 33 3.358 24.201 7.639 1.00 0.00 H ATOM 508 HE3 LYS A 33 2.001 24.831 6.676 1.00 0.00 H ATOM 509 HZ1 LYS A 33 3.206 22.126 6.424 1.00 0.00 H ATOM 510 HZ2 LYS A 33 1.910 22.727 5.504 1.00 0.00 H ATOM 511 HZ3 LYS A 33 3.451 23.430 5.362 1.00 0.00 H ATOM 512 H LYS A 33 -1.018 22.865 12.296 1.00 0.00 H ATOM 513 N PHE A 34 2.143 24.243 12.371 1.00 9.92 N ATOM 514 CA PHE A 34 3.400 24.855 12.785 1.00 6.32 C ATOM 515 C PHE A 34 4.136 24.107 13.897 1.00 9.08 C ATOM 516 O PHE A 34 5.329 24.324 14.098 1.00 10.32 O ATOM 517 CB PHE A 34 3.187 26.329 13.084 1.00 7.74 C ATOM 518 CG PHE A 34 2.827 27.128 11.858 1.00 5.89 C ATOM 519 CD1 PHE A 34 3.560 26.983 10.683 1.00 6.67 C ATOM 520 CD2 PHE A 34 1.746 27.996 11.864 1.00 10.59 C ATOM 521 CE1 PHE A 34 3.218 27.693 9.529 1.00 7.27 C ATOM 522 CE2 PHE A 34 1.394 28.714 10.712 1.00 7.55 C ATOM 523 CZ PHE A 34 2.131 28.559 9.545 1.00 8.80 C ATOM 524 HA PHE A 34 4.086 24.774 11.942 1.00 0.00 H ATOM 525 HB2 PHE A 34 2.381 26.424 13.811 1.00 0.00 H ATOM 526 HB3 PHE A 34 4.106 26.735 13.507 1.00 0.00 H ATOM 527 HD2 PHE A 34 1.162 28.122 12.776 1.00 0.00 H ATOM 528 HE2 PHE A 34 0.542 29.394 10.732 1.00 0.00 H ATOM 529 HZ PHE A 34 1.858 29.113 8.647 1.00 0.00 H ATOM 530 HE1 PHE A 34 3.803 27.568 8.618 1.00 0.00 H ATOM 531 HD1 PHE A 34 4.414 26.305 10.663 1.00 0.00 H ATOM 532 H PHE A 34 1.244 24.607 12.747 1.00 0.00 H ATOM 533 N GLU A 35 3.453 23.207 14.597 1.00 6.49 N ATOM 534 CA GLU A 35 4.124 22.442 15.638 1.00 6.56 C ATOM 535 C GLU A 35 4.762 21.173 15.069 1.00 7.46 C ATOM 536 O GLU A 35 5.950 20.906 15.291 1.00 8.71 O ATOM 537 CB GLU A 35 3.141 22.049 16.745 1.00 5.81 C ATOM 538 CG GLU A 35 2.670 23.196 17.657 1.00 8.53 C ATOM 539 CD GLU A 35 3.725 23.677 18.659 1.00 5.34 C ATOM 540 OE1 GLU A 35 4.828 23.096 18.720 1.00 12.94 O ATOM 541 OE2 GLU A 35 3.445 24.653 19.388 1.00 10.25 O ATOM 542 HA GLU A 35 4.905 23.080 16.053 1.00 0.00 H ATOM 543 HB2 GLU A 35 2.261 21.613 16.272 1.00 0.00 H ATOM 544 HB3 GLU A 35 3.624 21.299 17.372 1.00 0.00 H ATOM 545 HG2 GLU A 35 2.387 24.039 17.027 1.00 0.00 H ATOM 546 HG3 GLU A 35 1.799 22.853 18.216 1.00 0.00 H ATOM 547 H GLU A 35 2.444 23.050 14.402 1.00 0.00 H ATOM 548 N SER A 36 4.009 20.446 14.249 1.00 7.71 N ATOM 549 CA SER A 36 4.503 19.163 13.739 1.00 8.31 C ATOM 550 C SER A 36 4.491 19.039 12.225 1.00 10.34 C ATOM 551 O SER A 36 4.962 18.035 11.691 1.00 7.38 O ATOM 552 CB SER A 36 3.620 18.049 14.275 1.00 11.48 C ATOM 553 OG SER A 36 2.284 18.189 13.777 1.00 9.80 O ATOM 554 HA SER A 36 5.539 19.096 14.070 1.00 0.00 H ATOM 555 HB2 SER A 36 3.605 18.095 15.364 1.00 0.00 H ATOM 556 HB3 SER A 36 4.023 17.087 13.959 1.00 0.00 H ATOM 557 HG SER A 36 1.915 19.061 14.066 1.00 0.00 H ATOM 558 H SER A 36 3.068 20.788 13.969 1.00 0.00 H ATOM 559 N ASN A 37 3.900 20.008 11.543 1.00 9.98 N ATOM 560 CA ASN A 37 3.769 19.960 10.095 1.00 11.83 C ATOM 561 C ASN A 37 2.833 18.830 9.700 1.00 9.62 C ATOM 562 O ASN A 37 3.025 18.174 8.675 1.00 8.73 O ATOM 563 CB ASN A 37 5.125 19.816 9.403 1.00 11.16 C ATOM 564 CG ASN A 37 5.068 20.229 7.961 1.00 19.64 C ATOM 565 OD1 ASN A 37 4.342 21.156 7.601 1.00 14.08 O ATOM 566 ND2 ASN A 37 5.812 19.537 7.117 1.00 17.52 N ATOM 567 HA ASN A 37 3.344 20.907 9.762 1.00 0.00 H ATOM 568 HB2 ASN A 37 5.852 20.442 9.920 1.00 0.00 H ATOM 569 HB3 ASN A 37 5.440 18.774 9.459 1.00 0.00 H ATOM 570 HD22 ASN A 37 6.410 18.762 7.467 1.00 0.00 H ATOM 571 HD21 ASN A 37 5.799 19.768 6.103 1.00 0.00 H ATOM 572 H ASN A 37 3.518 20.827 12.058 1.00 0.00 H ATOM 573 N PHE A 38 1.871 18.572 10.586 1.00 6.67 N ATOM 574 CA PHE A 38 0.829 17.554 10.417 1.00 9.12 C ATOM 575 C PHE A 38 1.360 16.113 10.526 1.00 8.96 C ATOM 576 O PHE A 38 0.655 15.172 10.149 1.00 4.21 O ATOM 577 CB PHE A 38 0.107 17.708 9.054 1.00 7.63 C ATOM 578 CG PHE A 38 -0.612 19.026 8.858 1.00 8.96 C ATOM 579 CD1 PHE A 38 -1.255 19.674 9.915 1.00 5.73 C ATOM 580 CD2 PHE A 38 -0.713 19.578 7.586 1.00 7.15 C ATOM 581 CE1 PHE A 38 -1.994 20.847 9.698 1.00 7.87 C ATOM 582 CE2 PHE A 38 -1.452 20.755 7.357 1.00 9.60 C ATOM 583 CZ PHE A 38 -2.092 21.385 8.414 1.00 4.05 C ATOM 584 HA PHE A 38 0.131 17.723 11.237 1.00 0.00 H ATOM 585 HB2 PHE A 38 0.851 17.607 8.263 1.00 0.00 H ATOM 586 HB3 PHE A 38 -0.626 16.906 8.966 1.00 0.00 H ATOM 587 HD2 PHE A 38 -0.211 19.091 6.750 1.00 0.00 H ATOM 588 HE2 PHE A 38 -1.521 21.170 6.351 1.00 0.00 H ATOM 589 HZ PHE A 38 -2.668 22.295 8.243 1.00 0.00 H ATOM 590 HE1 PHE A 38 -2.492 21.339 10.534 1.00 0.00 H ATOM 591 HD1 PHE A 38 -1.182 19.263 10.922 1.00 0.00 H ATOM 592 H PHE A 38 1.859 19.134 11.461 1.00 0.00 H ATOM 593 N ASN A 39 2.563 15.938 11.072 1.00 6.53 N ATOM 594 CA ASN A 39 3.195 14.611 11.199 1.00 9.19 C ATOM 595 C ASN A 39 3.050 14.049 12.628 1.00 8.20 C ATOM 596 O ASN A 39 3.644 14.587 13.574 1.00 6.39 O ATOM 597 CB ASN A 39 4.682 14.742 10.819 1.00 6.60 C ATOM 598 CG ASN A 39 5.424 13.400 10.774 1.00 3.62 C ATOM 599 OD1 ASN A 39 4.890 12.337 11.128 1.00 6.08 O ATOM 600 ND2 ASN A 39 6.680 13.458 10.346 1.00 4.33 N ATOM 601 HA ASN A 39 2.695 13.911 10.529 1.00 0.00 H ATOM 602 HB2 ASN A 39 4.747 15.205 9.835 1.00 0.00 H ATOM 603 HB3 ASN A 39 5.171 15.382 11.554 1.00 0.00 H ATOM 604 HD22 ASN A 39 7.090 14.370 10.058 1.00 0.00 H ATOM 605 HD21 ASN A 39 7.254 12.592 10.298 1.00 0.00 H ATOM 606 H ASN A 39 3.077 16.771 11.423 1.00 0.00 H ATOM 607 N THR A 40 2.283 12.964 12.777 1.00 8.16 N ATOM 608 CA THR A 40 2.060 12.361 14.091 1.00 6.09 C ATOM 609 C THR A 40 3.342 11.818 14.721 1.00 9.83 C ATOM 610 O THR A 40 3.400 11.653 15.937 1.00 9.29 O ATOM 611 CB THR A 40 1.008 11.185 14.087 1.00 11.82 C ATOM 612 OG1 THR A 40 1.517 10.053 13.366 1.00 9.88 O ATOM 613 CG2 THR A 40 -0.337 11.620 13.503 1.00 11.12 C ATOM 614 HA THR A 40 1.669 13.191 14.680 1.00 0.00 H ATOM 615 HB THR A 40 0.841 10.901 15.126 1.00 0.00 H ATOM 616 HG1 THR A 40 2.350 9.737 13.797 1.00 0.00 H ATOM 617 HG23 THR A 40 -0.712 12.479 14.059 1.00 0.00 H ATOM 618 HG21 THR A 40 -0.206 11.892 12.456 1.00 0.00 H ATOM 619 HG22 THR A 40 -1.048 10.797 13.580 1.00 0.00 H ATOM 620 H THR A 40 1.835 12.539 11.940 1.00 0.00 H ATOM 621 N GLN A 41 4.367 11.554 13.914 1.00 7.41 N ATOM 622 CA GLN A 41 5.621 10.970 14.424 1.00 8.94 C ATOM 623 C GLN A 41 6.679 12.001 14.833 1.00 3.65 C ATOM 624 O GLN A 41 7.758 11.617 15.278 1.00 7.50 O ATOM 625 CB GLN A 41 6.230 10.040 13.380 1.00 4.60 C ATOM 626 CG GLN A 41 5.384 8.840 12.998 1.00 2.58 C ATOM 627 CD GLN A 41 6.209 7.773 12.287 1.00 10.91 C ATOM 628 OE1 GLN A 41 7.014 7.063 12.919 1.00 11.02 O ATOM 629 NE2 GLN A 41 6.042 7.674 10.970 1.00 5.37 N ATOM 630 HA GLN A 41 5.339 10.428 15.326 1.00 0.00 H ATOM 631 HB2 GLN A 41 6.413 10.623 12.477 1.00 0.00 H ATOM 632 HB3 GLN A 41 7.178 9.671 13.771 1.00 0.00 H ATOM 633 HG2 GLN A 41 4.952 8.410 13.902 1.00 0.00 H ATOM 634 HG3 GLN A 41 4.583 9.168 12.335 1.00 0.00 H ATOM 635 HE22 GLN A 41 5.357 8.289 10.485 1.00 0.00 H ATOM 636 HE21 GLN A 41 6.596 6.982 10.426 1.00 0.00 H ATOM 637 H GLN A 41 4.281 11.765 12.899 1.00 0.00 H ATOM 638 N ALA A 42 6.384 13.288 14.695 1.00 4.12 N ATOM 639 CA ALA A 42 7.348 14.342 15.032 1.00 5.90 C ATOM 640 C ALA A 42 7.751 14.368 16.524 1.00 6.49 C ATOM 641 O ALA A 42 6.903 14.298 17.430 1.00 3.63 O ATOM 642 CB ALA A 42 6.797 15.710 14.617 1.00 8.13 C ATOM 643 HA ALA A 42 8.256 14.112 14.474 1.00 0.00 H ATOM 644 HB1 ALA A 42 6.619 15.717 13.542 1.00 0.00 H ATOM 645 HB2 ALA A 42 5.861 15.898 15.143 1.00 0.00 H ATOM 646 HB3 ALA A 42 7.521 16.484 14.872 1.00 0.00 H ATOM 647 H ALA A 42 5.445 13.556 14.339 1.00 0.00 H ATOM 648 N THR A 43 9.059 14.427 16.759 1.00 4.76 N ATOM 649 CA THR A 43 9.619 14.546 18.101 1.00 6.25 C ATOM 650 C THR A 43 10.672 15.639 18.081 1.00 10.07 C ATOM 651 O THR A 43 11.395 15.791 17.091 1.00 5.23 O ATOM 652 CB THR A 43 10.272 13.236 18.630 1.00 6.30 C ATOM 653 OG1 THR A 43 11.351 12.843 17.772 1.00 7.62 O ATOM 654 CG2 THR A 43 9.250 12.114 18.714 1.00 1.54 C ATOM 655 HA THR A 43 8.792 14.776 18.773 1.00 0.00 H ATOM 656 HB THR A 43 10.657 13.429 19.631 1.00 0.00 H ATOM 657 HG1 THR A 43 11.004 12.688 16.858 1.00 0.00 H ATOM 658 HG23 THR A 43 8.432 12.418 19.367 1.00 0.00 H ATOM 659 HG21 THR A 43 8.862 11.903 17.718 1.00 0.00 H ATOM 660 HG22 THR A 43 9.726 11.220 19.117 1.00 0.00 H ATOM 661 H THR A 43 9.711 14.387 15.950 1.00 0.00 H ATOM 662 N ASN A 44 10.728 16.433 19.143 1.00 7.08 N ATOM 663 CA ASN A 44 11.695 17.520 19.225 1.00 11.31 C ATOM 664 C ASN A 44 12.183 17.714 20.652 1.00 10.26 C ATOM 665 O ASN A 44 11.392 17.963 21.566 1.00 11.84 O ATOM 666 CB ASN A 44 11.097 18.817 18.672 1.00 9.69 C ATOM 667 CG ASN A 44 10.992 18.802 17.152 1.00 14.51 C ATOM 668 OD1 ASN A 44 11.996 18.938 16.446 1.00 13.17 O ATOM 669 ND2 ASN A 44 9.787 18.599 16.640 1.00 10.67 N ATOM 670 HA ASN A 44 12.556 17.252 18.613 1.00 0.00 H ATOM 671 HB2 ASN A 44 10.100 18.951 19.091 1.00 0.00 H ATOM 672 HB3 ASN A 44 11.731 19.652 18.972 1.00 0.00 H ATOM 673 HD22 ASN A 44 8.966 18.489 17.269 1.00 0.00 H ATOM 674 HD21 ASN A 44 9.662 18.549 15.609 1.00 0.00 H ATOM 675 H ASN A 44 10.069 16.276 19.932 1.00 0.00 H ATOM 676 N ARG A 45 13.493 17.565 20.831 1.00 13.29 N ATOM 677 CA ARG A 45 14.143 17.710 22.129 1.00 16.73 C ATOM 678 C ARG A 45 14.196 19.167 22.564 1.00 15.30 C ATOM 679 O ARG A 45 14.342 20.065 21.731 1.00 16.93 O ATOM 680 CB ARG A 45 15.567 17.178 22.055 1.00 15.63 C ATOM 681 CG ARG A 45 16.262 17.257 23.372 1.00 18.43 C ATOM 682 CD ARG A 45 15.901 16.069 24.199 1.00 23.10 C ATOM 683 NE ARG A 45 16.757 14.948 23.834 1.00 26.07 N ATOM 684 CZ ARG A 45 17.281 14.106 24.716 1.00 29.13 C ATOM 685 NH1 ARG A 45 17.020 14.255 26.016 1.00 28.98 N ATOM 686 NH2 ARG A 45 18.112 13.156 24.307 1.00 27.53 N ATOM 687 HA ARG A 45 13.559 17.144 22.855 1.00 0.00 H ATOM 688 HB2 ARG A 45 15.538 16.137 21.734 1.00 0.00 H ATOM 689 HB3 ARG A 45 16.125 17.766 21.326 1.00 0.00 H ATOM 690 HG2 ARG A 45 17.340 17.275 23.213 1.00 0.00 H ATOM 691 HG3 ARG A 45 15.957 18.166 23.890 1.00 0.00 H ATOM 692 HD2 ARG A 45 14.859 15.804 24.021 1.00 0.00 H ATOM 693 HD3 ARG A 45 16.039 16.304 25.254 1.00 0.00 H ATOM 694 HE ARG A 45 16.969 14.799 22.827 1.00 0.00 H ATOM 695 HH12 ARG A 45 17.430 13.596 26.708 1.00 0.00 H ATOM 696 HH11 ARG A 45 16.406 15.031 26.338 1.00 0.00 H ATOM 697 HH22 ARG A 45 18.525 12.494 24.995 1.00 0.00 H ATOM 698 HH21 ARG A 45 18.351 13.073 23.298 1.00 0.00 H ATOM 699 H ARG A 45 14.082 17.334 20.006 1.00 0.00 H ATOM 700 N ASN A 46 14.116 19.396 23.871 1.00 14.26 N ATOM 701 CA ASN A 46 14.168 20.748 24.411 1.00 17.19 C ATOM 702 C ASN A 46 15.371 20.915 25.332 1.00 15.48 C ATOM 703 O ASN A 46 15.830 19.946 25.945 1.00 15.07 O ATOM 704 CB ASN A 46 12.875 21.074 25.164 1.00 18.84 C ATOM 705 CG ASN A 46 11.671 21.163 24.248 1.00 16.67 C ATOM 706 OD1 ASN A 46 11.678 21.901 23.267 1.00 19.58 O ATOM 707 ND2 ASN A 46 10.637 20.415 24.564 1.00 13.42 N ATOM 708 HA ASN A 46 14.272 21.443 23.578 1.00 0.00 H ATOM 709 HB2 ASN A 46 12.695 20.293 25.902 1.00 0.00 H ATOM 710 HB3 ASN A 46 12.999 22.031 25.672 1.00 0.00 H ATOM 711 HD22 ASN A 46 10.675 19.804 25.405 1.00 0.00 H ATOM 712 HD21 ASN A 46 9.781 20.434 23.973 1.00 0.00 H ATOM 713 H ASN A 46 14.014 18.592 24.523 1.00 0.00 H ATOM 714 N THR A 47 15.825 22.154 25.489 1.00 18.96 N ATOM 715 CA THR A 47 16.990 22.473 26.326 1.00 20.55 C ATOM 716 C THR A 47 16.858 22.013 27.786 1.00 23.27 C ATOM 717 O THR A 47 17.862 21.676 28.435 1.00 26.97 O ATOM 718 CB THR A 47 17.316 23.989 26.298 1.00 22.96 C ATOM 719 OG1 THR A 47 16.113 24.753 26.486 1.00 24.90 O ATOM 720 CG2 THR A 47 17.974 24.370 24.976 1.00 18.50 C ATOM 721 HA THR A 47 17.809 21.908 25.882 1.00 0.00 H ATOM 722 HB THR A 47 18.011 24.210 27.108 1.00 0.00 H ATOM 723 HG1 THR A 47 15.473 24.543 25.760 1.00 0.00 H ATOM 724 HG23 THR A 47 18.884 23.786 24.843 1.00 0.00 H ATOM 725 HG21 THR A 47 17.286 24.164 24.156 1.00 0.00 H ATOM 726 HG22 THR A 47 18.221 25.432 24.987 1.00 0.00 H ATOM 727 H THR A 47 15.336 22.930 24.999 1.00 0.00 H ATOM 728 N ASP A 48 15.640 21.977 28.306 1.00 18.86 N ATOM 729 CA ASP A 48 15.445 21.573 29.682 1.00 16.79 C ATOM 730 C ASP A 48 15.533 20.050 29.860 1.00 17.46 C ATOM 731 O ASP A 48 15.392 19.542 30.974 1.00 15.96 O ATOM 732 CB ASP A 48 14.118 22.145 30.226 1.00 18.20 C ATOM 733 CG ASP A 48 12.871 21.549 29.547 1.00 18.95 C ATOM 734 OD1 ASP A 48 13.006 20.862 28.509 1.00 14.94 O ATOM 735 OD2 ASP A 48 11.749 21.777 30.068 1.00 16.61 O ATOM 736 HA ASP A 48 16.261 21.991 30.272 1.00 0.00 H ATOM 737 HB2 ASP A 48 14.063 21.936 31.294 1.00 0.00 H ATOM 738 HB3 ASP A 48 14.116 23.223 30.068 1.00 0.00 H ATOM 739 H ASP A 48 14.820 22.240 27.723 1.00 0.00 H ATOM 740 N GLY A 49 15.756 19.320 28.769 1.00 13.95 N ATOM 741 CA GLY A 49 15.844 17.876 28.869 1.00 16.50 C ATOM 742 C GLY A 49 14.543 17.186 28.512 1.00 16.16 C ATOM 743 O GLY A 49 14.463 15.946 28.493 1.00 15.40 O ATOM 744 HA3 GLY A 49 16.110 17.612 29.893 1.00 0.00 H ATOM 745 HA2 GLY A 49 16.623 17.526 28.191 1.00 0.00 H ATOM 746 H GLY A 49 15.867 19.785 27.846 1.00 0.00 H ATOM 747 N SER A 50 13.499 17.975 28.272 1.00 11.31 N ATOM 748 CA SER A 50 12.210 17.403 27.893 1.00 9.44 C ATOM 749 C SER A 50 12.130 17.235 26.370 1.00 6.27 C ATOM 750 O SER A 50 13.025 17.664 25.646 1.00 9.15 O ATOM 751 CB SER A 50 11.050 18.261 28.417 1.00 4.41 C ATOM 752 OG SER A 50 10.971 19.492 27.719 1.00 7.35 O ATOM 753 HA SER A 50 12.122 16.418 28.352 1.00 0.00 H ATOM 754 HB2 SER A 50 11.206 18.462 29.477 1.00 0.00 H ATOM 755 HB3 SER A 50 10.115 17.716 28.285 1.00 0.00 H ATOM 756 HG SER A 50 11.816 19.993 27.839 1.00 0.00 H ATOM 757 H SER A 50 13.602 19.007 28.355 1.00 0.00 H ATOM 758 N THR A 51 11.074 16.593 25.897 1.00 3.77 N ATOM 759 CA THR A 51 10.874 16.353 24.472 1.00 3.90 C ATOM 760 C THR A 51 9.395 16.541 24.138 1.00 5.31 C ATOM 761 O THR A 51 8.530 16.269 24.981 1.00 4.26 O ATOM 762 CB THR A 51 11.300 14.893 24.086 1.00 0.45 C ATOM 763 OG1 THR A 51 12.689 14.700 24.382 1.00 7.72 O ATOM 764 CG2 THR A 51 11.082 14.612 22.597 1.00 5.70 C ATOM 765 HA THR A 51 11.487 17.058 23.911 1.00 0.00 H ATOM 766 HB THR A 51 10.680 14.210 24.667 1.00 0.00 H ATOM 767 HG1 THR A 51 12.842 14.842 25.350 1.00 0.00 H ATOM 768 HG23 THR A 51 10.029 14.754 22.352 1.00 0.00 H ATOM 769 HG21 THR A 51 11.689 15.298 22.006 1.00 0.00 H ATOM 770 HG22 THR A 51 11.373 13.585 22.376 1.00 0.00 H ATOM 771 H THR A 51 10.359 16.246 26.567 1.00 0.00 H ATOM 772 N ASP A 52 9.123 17.139 22.983 1.00 3.81 N ATOM 773 CA ASP A 52 7.759 17.345 22.507 1.00 4.76 C ATOM 774 C ASP A 52 7.378 16.200 21.555 1.00 4.13 C ATOM 775 O ASP A 52 8.162 15.841 20.673 1.00 7.91 O ATOM 776 CB ASP A 52 7.644 18.688 21.785 1.00 6.10 C ATOM 777 CG ASP A 52 7.853 19.898 22.718 1.00 12.21 C ATOM 778 OD1 ASP A 52 7.573 19.823 23.935 1.00 7.99 O ATOM 779 OD2 ASP A 52 8.265 20.957 22.204 1.00 12.15 O ATOM 780 HA ASP A 52 7.079 17.354 23.358 1.00 0.00 H ATOM 781 HB2 ASP A 52 8.396 18.724 20.997 1.00 0.00 H ATOM 782 HB3 ASP A 52 6.651 18.759 21.341 1.00 0.00 H ATOM 783 H ASP A 52 9.913 17.473 22.395 1.00 0.00 H ATOM 784 N TYR A 53 6.157 15.684 21.678 1.00 6.81 N ATOM 785 CA TYR A 53 5.746 14.533 20.872 1.00 6.27 C ATOM 786 C TYR A 53 4.447 14.718 20.086 1.00 5.51 C ATOM 787 O TYR A 53 3.487 15.308 20.576 1.00 9.56 O ATOM 788 CB TYR A 53 5.535 13.320 21.796 1.00 9.99 C ATOM 789 CG TYR A 53 6.778 12.863 22.511 1.00 5.45 C ATOM 790 CD1 TYR A 53 7.199 13.485 23.692 1.00 7.68 C ATOM 791 CD2 TYR A 53 7.554 11.824 21.996 1.00 7.20 C ATOM 792 CE1 TYR A 53 8.377 13.083 24.344 1.00 7.67 C ATOM 793 CE2 TYR A 53 8.737 11.417 22.636 1.00 8.57 C ATOM 794 CZ TYR A 53 9.138 12.050 23.807 1.00 7.94 C ATOM 795 OH TYR A 53 10.298 11.664 24.437 1.00 7.33 O ATOM 796 HA TYR A 53 6.549 14.397 20.147 1.00 0.00 H ATOM 797 HB3 TYR A 53 5.164 12.492 21.193 1.00 0.00 H ATOM 798 HB2 TYR A 53 4.789 13.586 22.544 1.00 0.00 H ATOM 799 HD2 TYR A 53 7.238 11.320 21.083 1.00 0.00 H ATOM 800 HE2 TYR A 53 9.337 10.609 22.217 1.00 0.00 H ATOM 801 HE1 TYR A 53 8.692 13.577 25.263 1.00 0.00 H ATOM 802 HD1 TYR A 53 6.603 14.295 24.113 1.00 0.00 H ATOM 803 HH TYR A 53 10.430 12.215 25.249 1.00 0.00 H ATOM 804 H TYR A 53 5.487 16.103 22.354 1.00 0.00 H ATOM 805 N GLY A 54 4.434 14.162 18.876 1.00 6.21 N ATOM 806 CA GLY A 54 3.237 14.106 18.052 1.00 5.51 C ATOM 807 C GLY A 54 2.842 15.347 17.282 1.00 5.31 C ATOM 808 O GLY A 54 3.531 16.370 17.242 1.00 0.66 O ATOM 809 HA3 GLY A 54 2.404 13.853 18.708 1.00 0.00 H ATOM 810 HA2 GLY A 54 3.381 13.306 17.325 1.00 0.00 H ATOM 811 H GLY A 54 5.315 13.752 18.506 1.00 0.00 H ATOM 812 N ILE A 55 1.642 15.223 16.719 1.00 9.14 N ATOM 813 CA ILE A 55 1.005 16.222 15.874 1.00 8.03 C ATOM 814 C ILE A 55 0.793 17.562 16.600 1.00 8.78 C ATOM 815 O ILE A 55 0.789 18.618 15.953 1.00 9.44 O ATOM 816 CB ILE A 55 -0.321 15.662 15.291 1.00 10.12 C ATOM 817 CG1 ILE A 55 -0.727 16.454 14.046 1.00 9.17 C ATOM 818 CG2 ILE A 55 -1.420 15.672 16.352 1.00 11.70 C ATOM 819 CD1 ILE A 55 -1.251 15.602 12.924 1.00 10.00 C ATOM 820 HA ILE A 55 1.682 16.437 15.047 1.00 0.00 H ATOM 821 HB ILE A 55 -0.168 14.626 14.991 1.00 0.00 H ATOM 822 HG12 ILE A 55 -1.504 17.164 14.329 1.00 0.00 H ATOM 823 HG13 ILE A 55 0.146 16.998 13.685 1.00 0.00 H ATOM 824 HD11 ILE A 55 -0.482 14.893 12.618 1.00 0.00 H ATOM 825 HD12 ILE A 55 -2.133 15.059 13.263 1.00 0.00 H ATOM 826 HD13 ILE A 55 -1.516 16.238 12.080 1.00 0.00 H ATOM 827 HG21 ILE A 55 -1.115 15.053 17.195 1.00 0.00 H ATOM 828 HG22 ILE A 55 -1.586 16.694 16.691 1.00 0.00 H ATOM 829 HG23 ILE A 55 -2.341 15.276 15.923 1.00 0.00 H ATOM 830 H ILE A 55 1.118 14.342 16.897 1.00 0.00 H ATOM 831 N LEU A 56 0.644 17.517 17.927 1.00 5.50 N ATOM 832 CA LEU A 56 0.464 18.729 18.711 1.00 7.54 C ATOM 833 C LEU A 56 1.654 19.004 19.636 1.00 9.79 C ATOM 834 O LEU A 56 1.584 19.866 20.504 1.00 5.64 O ATOM 835 CB LEU A 56 -0.887 18.740 19.448 1.00 9.73 C ATOM 836 CG LEU A 56 -2.104 19.184 18.599 1.00 8.01 C ATOM 837 CD1 LEU A 56 -3.412 18.987 19.402 1.00 6.52 C ATOM 838 CD2 LEU A 56 -1.962 20.665 18.147 1.00 7.53 C ATOM 839 HA LEU A 56 0.435 19.563 18.010 1.00 0.00 H ATOM 840 HB2 LEU A 56 -1.080 17.731 19.811 1.00 0.00 H ATOM 841 HB3 LEU A 56 -0.802 19.420 20.296 1.00 0.00 H ATOM 842 HG LEU A 56 -2.141 18.563 17.704 1.00 0.00 H ATOM 843 HD21 LEU A 56 -1.897 21.307 19.025 1.00 0.00 H ATOM 844 HD22 LEU A 56 -1.059 20.775 17.547 1.00 0.00 H ATOM 845 HD23 LEU A 56 -2.831 20.947 17.553 1.00 0.00 H ATOM 846 HD11 LEU A 56 -3.522 17.934 19.663 1.00 0.00 H ATOM 847 HD12 LEU A 56 -3.372 19.586 20.312 1.00 0.00 H ATOM 848 HD13 LEU A 56 -4.261 19.303 18.795 1.00 0.00 H ATOM 849 H LEU A 56 0.657 16.596 18.410 1.00 0.00 H ATOM 850 N GLN A 57 2.761 18.292 19.411 1.00 7.33 N ATOM 851 CA GLN A 57 4.015 18.493 20.150 1.00 6.09 C ATOM 852 C GLN A 57 3.810 18.694 21.657 1.00 5.75 C ATOM 853 O GLN A 57 4.184 19.728 22.217 1.00 6.07 O ATOM 854 CB GLN A 57 4.781 19.682 19.539 1.00 -2.18 C ATOM 855 CG GLN A 57 5.332 19.393 18.148 1.00 -4.13 C ATOM 856 CD GLN A 57 6.456 18.386 18.189 1.00 2.29 C ATOM 857 OE1 GLN A 57 7.598 18.734 18.470 1.00 7.55 O ATOM 858 NE2 GLN A 57 6.137 17.121 17.945 1.00 7.80 N ATOM 859 HA GLN A 57 4.600 17.579 20.051 1.00 0.00 H ATOM 860 HB2 GLN A 57 4.104 20.533 19.473 1.00 0.00 H ATOM 861 HB3 GLN A 57 5.614 19.932 20.196 1.00 0.00 H ATOM 862 HG2 GLN A 57 4.529 19.001 17.524 1.00 0.00 H ATOM 863 HG3 GLN A 57 5.705 20.322 17.716 1.00 0.00 H ATOM 864 HE22 GLN A 57 5.156 16.868 17.710 1.00 0.00 H ATOM 865 HE21 GLN A 57 6.868 16.383 17.989 1.00 0.00 H ATOM 866 H GLN A 57 2.734 17.558 18.675 1.00 0.00 H ATOM 867 N ILE A 58 3.243 17.684 22.301 1.00 8.66 N ATOM 868 CA ILE A 58 2.968 17.687 23.731 1.00 7.62 C ATOM 869 C ILE A 58 4.251 17.336 24.500 1.00 10.65 C ATOM 870 O ILE A 58 4.977 16.397 24.153 1.00 10.29 O ATOM 871 CB ILE A 58 1.751 16.768 24.014 1.00 9.08 C ATOM 872 CG1 ILE A 58 0.494 17.432 23.418 1.00 10.75 C ATOM 873 CG2 ILE A 58 1.572 16.501 25.504 1.00 6.26 C ATOM 874 CD1 ILE A 58 -0.715 16.532 23.359 1.00 5.34 C ATOM 875 HA ILE A 58 2.681 18.675 24.090 1.00 0.00 H ATOM 876 HB ILE A 58 1.921 15.798 23.547 1.00 0.00 H ATOM 877 HG12 ILE A 58 0.244 18.300 24.028 1.00 0.00 H ATOM 878 HG13 ILE A 58 0.728 17.757 22.404 1.00 0.00 H ATOM 879 HD11 ILE A 58 -0.490 15.663 22.741 1.00 0.00 H ATOM 880 HD12 ILE A 58 -0.973 16.206 24.367 1.00 0.00 H ATOM 881 HD13 ILE A 58 -1.553 17.079 22.927 1.00 0.00 H ATOM 882 HG21 ILE A 58 2.465 16.014 25.894 1.00 0.00 H ATOM 883 HG22 ILE A 58 1.415 17.446 26.025 1.00 0.00 H ATOM 884 HG23 ILE A 58 0.708 15.853 25.655 1.00 0.00 H ATOM 885 H ILE A 58 2.979 16.840 21.753 1.00 0.00 H ATOM 886 N ASN A 59 4.513 18.106 25.545 1.00 9.18 N ATOM 887 CA ASN A 59 5.751 18.021 26.327 1.00 7.50 C ATOM 888 C ASN A 59 5.820 16.900 27.390 1.00 10.74 C ATOM 889 O ASN A 59 4.919 16.747 28.213 1.00 9.00 O ATOM 890 CB ASN A 59 5.980 19.385 26.968 1.00 8.70 C ATOM 891 CG ASN A 59 7.344 19.517 27.576 1.00 9.69 C ATOM 892 OD1 ASN A 59 7.501 19.380 28.780 1.00 8.72 O ATOM 893 ND2 ASN A 59 8.341 19.790 26.750 1.00 9.62 N ATOM 894 HA ASN A 59 6.540 17.744 25.628 1.00 0.00 H ATOM 895 HB2 ASN A 59 5.862 20.154 26.204 1.00 0.00 H ATOM 896 HB3 ASN A 59 5.234 19.533 27.749 1.00 0.00 H ATOM 897 HD22 ASN A 59 8.158 19.898 25.732 1.00 0.00 H ATOM 898 HD21 ASN A 59 9.307 19.897 27.119 1.00 0.00 H ATOM 899 H ASN A 59 3.801 18.810 25.827 1.00 0.00 H ATOM 900 N SER A 60 7.009 16.293 27.494 1.00 11.73 N ATOM 901 CA SER A 60 7.306 15.194 28.436 1.00 4.82 C ATOM 902 C SER A 60 7.606 15.652 29.877 1.00 10.75 C ATOM 903 O SER A 60 7.828 14.802 30.748 1.00 12.32 O ATOM 904 CB SER A 60 8.494 14.371 27.946 1.00 4.10 C ATOM 905 OG SER A 60 9.667 15.154 27.878 1.00 4.25 O ATOM 906 HA SER A 60 6.392 14.600 28.464 1.00 0.00 H ATOM 907 HB2 SER A 60 8.270 13.979 26.954 1.00 0.00 H ATOM 908 HB3 SER A 60 8.660 13.542 28.634 1.00 0.00 H ATOM 909 HG SER A 60 10.418 14.594 27.558 1.00 0.00 H ATOM 910 H SER A 60 7.775 16.617 26.870 1.00 0.00 H ATOM 911 N ARG A 61 7.699 16.954 30.130 1.00 9.35 N ATOM 912 CA ARG A 61 7.961 17.421 31.494 1.00 11.37 C ATOM 913 C ARG A 61 6.664 17.517 32.293 1.00 9.29 C ATOM 914 O ARG A 61 6.657 17.293 33.510 1.00 11.87 O ATOM 915 CB ARG A 61 8.681 18.785 31.470 1.00 15.19 C ATOM 916 CG ARG A 61 8.677 19.601 32.787 1.00 16.11 C ATOM 917 CD ARG A 61 9.251 18.837 33.981 1.00 19.82 C ATOM 918 NE ARG A 61 9.332 19.685 35.175 1.00 27.04 N ATOM 919 CZ ARG A 61 8.407 19.748 36.133 1.00 27.95 C ATOM 920 NH1 ARG A 61 7.306 19.004 36.069 1.00 23.85 N ATOM 921 NH2 ARG A 61 8.564 20.595 37.143 1.00 27.30 N ATOM 922 HA ARG A 61 8.610 16.695 31.983 1.00 0.00 H ATOM 923 HB2 ARG A 61 9.721 18.604 31.197 1.00 0.00 H ATOM 924 HB3 ARG A 61 8.206 19.395 30.702 1.00 0.00 H ATOM 925 HG2 ARG A 61 9.271 20.502 32.636 1.00 0.00 H ATOM 926 HG3 ARG A 61 7.649 19.879 33.017 1.00 0.00 H ATOM 927 HD2 ARG A 61 10.251 18.484 33.728 1.00 0.00 H ATOM 928 HD3 ARG A 61 8.610 17.982 34.196 1.00 0.00 H ATOM 929 HE ARG A 61 10.176 20.283 35.283 1.00 0.00 H ATOM 930 HH12 ARG A 61 6.593 19.064 36.824 1.00 0.00 H ATOM 931 HH11 ARG A 61 7.158 18.362 35.264 1.00 0.00 H ATOM 932 HH22 ARG A 61 7.846 20.649 37.893 1.00 0.00 H ATOM 933 HH21 ARG A 61 9.405 21.205 37.184 1.00 0.00 H ATOM 934 H ARG A 61 7.586 17.642 29.358 1.00 0.00 H ATOM 935 N TRP A 62 5.546 17.689 31.595 1.00 9.05 N ATOM 936 CA TRP A 62 4.281 17.867 32.296 1.00 8.47 C ATOM 937 C TRP A 62 3.165 16.898 31.914 1.00 10.90 C ATOM 938 O TRP A 62 2.425 16.455 32.797 1.00 10.24 O ATOM 939 CB TRP A 62 3.741 19.273 32.009 1.00 7.41 C ATOM 940 CG TRP A 62 4.620 20.384 32.450 1.00 12.26 C ATOM 941 CD1 TRP A 62 5.537 21.061 31.695 1.00 11.83 C ATOM 942 CD2 TRP A 62 4.664 20.966 33.752 1.00 14.59 C ATOM 943 NE1 TRP A 62 6.150 22.030 32.451 1.00 14.64 N ATOM 944 CE2 TRP A 62 5.630 21.997 33.719 1.00 15.43 C ATOM 945 CE3 TRP A 62 3.969 20.727 34.946 1.00 17.10 C ATOM 946 CZ2 TRP A 62 5.926 22.784 34.838 1.00 16.25 C ATOM 947 CZ3 TRP A 62 4.264 21.515 36.060 1.00 16.71 C ATOM 948 CH2 TRP A 62 5.231 22.530 35.994 1.00 20.09 C ATOM 949 HA TRP A 62 4.526 17.685 33.342 1.00 0.00 H ATOM 950 HB2 TRP A 62 3.593 19.365 30.933 1.00 0.00 H ATOM 951 HB3 TRP A 62 2.782 19.378 32.517 1.00 0.00 H ATOM 952 HE1 TRP A 62 6.888 22.682 32.116 1.00 0.00 H ATOM 953 HD1 TRP A 62 5.751 20.861 30.645 1.00 0.00 H ATOM 954 HZ2 TRP A 62 6.680 23.569 34.793 1.00 0.00 H ATOM 955 HH2 TRP A 62 5.435 23.130 36.881 1.00 0.00 H ATOM 956 HZ3 TRP A 62 3.735 21.339 36.996 1.00 0.00 H ATOM 957 HE3 TRP A 62 3.214 19.943 35.003 1.00 0.00 H ATOM 958 H TRP A 62 5.574 17.696 30.555 1.00 0.00 H ATOM 959 N TRP A 63 3.062 16.543 30.632 1.00 7.45 N ATOM 960 CA TRP A 63 1.898 15.802 30.148 1.00 9.24 C ATOM 961 C TRP A 63 2.037 14.301 29.889 1.00 8.74 C ATOM 962 O TRP A 63 1.063 13.566 30.076 1.00 8.10 O ATOM 963 CB TRP A 63 1.382 16.506 28.901 1.00 8.73 C ATOM 964 CG TRP A 63 1.254 17.984 29.097 1.00 9.53 C ATOM 965 CD1 TRP A 63 2.053 18.954 28.568 1.00 14.22 C ATOM 966 CD2 TRP A 63 0.283 18.660 29.906 1.00 13.88 C ATOM 967 NE1 TRP A 63 1.645 20.192 29.005 1.00 14.93 N ATOM 968 CE2 TRP A 63 0.560 20.041 29.826 1.00 12.65 C ATOM 969 CE3 TRP A 63 -0.798 18.228 30.690 1.00 6.44 C ATOM 970 CZ2 TRP A 63 -0.206 21.004 30.503 1.00 14.56 C ATOM 971 CZ3 TRP A 63 -1.561 19.187 31.362 1.00 12.93 C ATOM 972 CH2 TRP A 63 -1.258 20.555 31.262 1.00 9.76 C ATOM 973 HA TRP A 63 1.200 15.817 30.985 1.00 0.00 H ATOM 974 HB2 TRP A 63 2.075 16.319 28.080 1.00 0.00 H ATOM 975 HB3 TRP A 63 0.403 16.099 28.648 1.00 0.00 H ATOM 976 HE1 TRP A 63 2.089 21.098 28.752 1.00 0.00 H ATOM 977 HD1 TRP A 63 2.893 18.774 27.897 1.00 0.00 H ATOM 978 HZ2 TRP A 63 0.026 22.066 30.429 1.00 0.00 H ATOM 979 HH2 TRP A 63 -1.873 21.277 31.800 1.00 0.00 H ATOM 980 HZ3 TRP A 63 -2.405 18.868 31.974 1.00 0.00 H ATOM 981 HE3 TRP A 63 -1.037 17.168 30.773 1.00 0.00 H ATOM 982 H TRP A 63 3.821 16.797 29.967 1.00 0.00 H ATOM 983 N CYS A 64 3.172 13.834 29.392 1.00 10.21 N ATOM 984 CA CYS A 64 3.316 12.404 29.119 1.00 7.28 C ATOM 985 C CYS A 64 4.633 11.892 29.660 1.00 8.64 C ATOM 986 O CYS A 64 5.543 12.674 29.950 1.00 7.15 O ATOM 987 CB CYS A 64 3.244 12.137 27.620 1.00 7.76 C ATOM 988 SG CYS A 64 4.560 12.972 26.674 1.00 9.15 S ATOM 989 HA CYS A 64 2.498 11.881 29.615 1.00 0.00 H ATOM 990 HB2 CYS A 64 2.279 12.486 27.252 1.00 0.00 H ATOM 991 HB3 CYS A 64 3.328 11.063 27.455 1.00 0.00 H ATOM 992 H CYS A 64 3.960 14.483 29.196 1.00 0.00 H ATOM 993 N ASN A 65 4.739 10.584 29.813 1.00 7.05 N ATOM 994 CA ASN A 65 5.976 10.019 30.319 1.00 10.45 C ATOM 995 C ASN A 65 6.824 9.414 29.208 1.00 9.37 C ATOM 996 O ASN A 65 6.344 8.556 28.455 1.00 4.85 O ATOM 997 CB ASN A 65 5.719 8.939 31.359 1.00 7.21 C ATOM 998 CG ASN A 65 6.988 8.203 31.712 1.00 12.81 C ATOM 999 OD1 ASN A 65 7.935 8.808 32.213 1.00 11.83 O ATOM 1000 ND2 ASN A 65 7.067 6.938 31.335 1.00 11.14 N ATOM 1001 HA ASN A 65 6.514 10.850 30.776 1.00 0.00 H ATOM 1002 HB2 ASN A 65 5.315 9.402 32.259 1.00 0.00 H ATOM 1003 HB3 ASN A 65 4.995 8.228 30.961 1.00 0.00 H ATOM 1004 HD22 ASN A 65 6.240 6.468 30.916 1.00 0.00 H ATOM 1005 HD21 ASN A 65 7.957 6.413 31.458 1.00 0.00 H ATOM 1006 H ASN A 65 3.940 9.963 29.572 1.00 0.00 H ATOM 1007 N ASP A 66 8.066 9.889 29.089 1.00 11.34 N ATOM 1008 CA ASP A 66 8.996 9.329 28.102 1.00 9.48 C ATOM 1009 C ASP A 66 10.168 8.603 28.777 1.00 8.64 C ATOM 1010 O ASP A 66 11.088 8.157 28.103 1.00 6.62 O ATOM 1011 CB ASP A 66 9.487 10.364 27.086 1.00 8.34 C ATOM 1012 CG ASP A 66 10.413 11.413 27.687 1.00 4.97 C ATOM 1013 OD1 ASP A 66 10.698 11.389 28.895 1.00 7.83 O ATOM 1014 OD2 ASP A 66 10.864 12.289 26.926 1.00 7.52 O ATOM 1015 HA ASP A 66 8.428 8.591 27.536 1.00 0.00 H ATOM 1016 HB2 ASP A 66 10.024 9.842 26.294 1.00 0.00 H ATOM 1017 HB3 ASP A 66 8.620 10.871 26.663 1.00 0.00 H ATOM 1018 H ASP A 66 8.379 10.667 29.705 1.00 0.00 H ATOM 1019 N GLY A 67 10.156 8.568 30.108 1.00 12.07 N ATOM 1020 CA GLY A 67 11.181 7.865 30.880 1.00 12.31 C ATOM 1021 C GLY A 67 12.545 8.544 30.978 1.00 11.58 C ATOM 1022 O GLY A 67 13.445 7.982 31.605 1.00 9.86 O ATOM 1023 HA3 GLY A 67 11.329 6.888 30.421 1.00 0.00 H ATOM 1024 HA2 GLY A 67 10.802 7.735 31.894 1.00 0.00 H ATOM 1025 H GLY A 67 9.392 9.057 30.616 1.00 0.00 H ATOM 1026 N ARG A 68 12.731 9.730 30.415 1.00 9.72 N ATOM 1027 CA ARG A 68 14.038 10.361 30.495 1.00 12.17 C ATOM 1028 C ARG A 68 13.960 11.849 30.827 1.00 10.13 C ATOM 1029 O ARG A 68 14.957 12.556 30.690 1.00 10.01 O ATOM 1030 CB ARG A 68 14.785 10.186 29.172 1.00 10.52 C ATOM 1031 CG ARG A 68 14.143 10.892 28.003 1.00 7.13 C ATOM 1032 CD ARG A 68 14.955 10.724 26.726 1.00 7.13 C ATOM 1033 NE ARG A 68 14.469 11.599 25.659 1.00 5.98 N ATOM 1034 CZ ARG A 68 14.922 11.599 24.403 1.00 8.50 C ATOM 1035 NH1 ARG A 68 15.875 10.752 24.037 1.00 13.06 N ATOM 1036 NH2 ARG A 68 14.484 12.508 23.529 1.00 10.22 N ATOM 1037 HA ARG A 68 14.572 9.868 31.307 1.00 0.00 H ATOM 1038 HB2 ARG A 68 15.795 10.576 29.295 1.00 0.00 H ATOM 1039 HB3 ARG A 68 14.833 9.121 28.944 1.00 0.00 H ATOM 1040 HG2 ARG A 68 13.147 10.479 27.845 1.00 0.00 H ATOM 1041 HG3 ARG A 68 14.062 11.954 28.233 1.00 0.00 H ATOM 1042 HD2 ARG A 68 14.883 9.688 26.395 1.00 0.00 H ATOM 1043 HD3 ARG A 68 15.997 10.966 26.935 1.00 0.00 H ATOM 1044 HE ARG A 68 13.713 12.272 25.897 1.00 0.00 H ATOM 1045 HH12 ARG A 68 16.225 10.755 23.058 1.00 0.00 H ATOM 1046 HH11 ARG A 68 16.272 10.085 24.729 1.00 0.00 H ATOM 1047 HH22 ARG A 68 14.840 12.504 22.552 1.00 0.00 H ATOM 1048 HH21 ARG A 68 13.787 13.221 23.825 1.00 0.00 H ATOM 1049 H ARG A 68 11.949 10.205 29.921 1.00 0.00 H ATOM 1050 N THR A 69 12.815 12.320 31.310 1.00 12.51 N ATOM 1051 CA THR A 69 12.668 13.741 31.601 1.00 11.25 C ATOM 1052 C THR A 69 12.663 14.031 33.099 1.00 11.38 C ATOM 1053 O THR A 69 11.737 13.633 33.807 1.00 18.19 O ATOM 1054 CB THR A 69 11.353 14.268 31.012 1.00 9.77 C ATOM 1055 OG1 THR A 69 11.284 13.900 29.630 1.00 4.20 O ATOM 1056 CG2 THR A 69 11.274 15.785 31.143 1.00 4.62 C ATOM 1057 HA THR A 69 13.526 14.240 31.151 1.00 0.00 H ATOM 1058 HB THR A 69 10.517 13.832 31.559 1.00 0.00 H ATOM 1059 HG1 THR A 69 11.316 12.914 29.550 1.00 0.00 H ATOM 1060 HG23 THR A 69 11.327 16.061 32.196 1.00 0.00 H ATOM 1061 HG21 THR A 69 12.106 16.239 30.605 1.00 0.00 H ATOM 1062 HG22 THR A 69 10.332 16.136 30.721 1.00 0.00 H ATOM 1063 H THR A 69 12.020 11.672 31.481 1.00 0.00 H ATOM 1064 N PRO A 70 13.684 14.753 33.600 1.00 19.99 N ATOM 1065 CA PRO A 70 13.704 15.057 35.040 1.00 19.61 C ATOM 1066 C PRO A 70 12.479 15.873 35.470 1.00 21.62 C ATOM 1067 O PRO A 70 12.085 16.821 34.779 1.00 20.19 O ATOM 1068 CB PRO A 70 15.000 15.865 35.201 1.00 17.69 C ATOM 1069 CG PRO A 70 15.195 16.498 33.840 1.00 23.80 C ATOM 1070 CD PRO A 70 14.853 15.341 32.923 1.00 22.81 C ATOM 1071 HA PRO A 70 13.671 14.163 35.663 1.00 0.00 H ATOM 1072 HD3 PRO A 70 14.598 15.690 31.922 1.00 0.00 H ATOM 1073 HD2 PRO A 70 15.675 14.628 32.860 1.00 0.00 H ATOM 1074 HG3 PRO A 70 16.223 16.830 33.698 1.00 0.00 H ATOM 1075 HG2 PRO A 70 14.519 17.340 33.690 1.00 0.00 H ATOM 1076 HB2 PRO A 70 14.891 16.627 35.973 1.00 0.00 H ATOM 1077 HB3 PRO A 70 15.837 15.213 35.451 1.00 0.00 H ATOM 1078 N GLY A 71 11.851 15.451 36.570 1.00 24.93 N ATOM 1079 CA GLY A 71 10.691 16.148 37.117 1.00 21.32 C ATOM 1080 C GLY A 71 9.396 15.912 36.359 1.00 22.50 C ATOM 1081 O GLY A 71 8.433 16.652 36.563 1.00 21.02 O ATOM 1082 HA3 GLY A 71 10.901 17.218 37.107 1.00 0.00 H ATOM 1083 HA2 GLY A 71 10.549 15.816 38.146 1.00 0.00 H ATOM 1084 H GLY A 71 12.200 14.598 37.053 1.00 0.00 H ATOM 1085 N SER A 72 9.357 14.884 35.515 1.00 21.20 N ATOM 1086 CA SER A 72 8.173 14.557 34.719 1.00 19.80 C ATOM 1087 C SER A 72 6.902 14.443 35.598 1.00 18.14 C ATOM 1088 O SER A 72 6.956 13.872 36.693 1.00 17.06 O ATOM 1089 CB SER A 72 8.430 13.244 33.969 1.00 20.07 C ATOM 1090 OG SER A 72 7.309 12.837 33.193 1.00 27.08 O ATOM 1091 HA SER A 72 7.995 15.364 34.008 1.00 0.00 H ATOM 1092 HB2 SER A 72 8.656 12.463 34.695 1.00 0.00 H ATOM 1093 HB3 SER A 72 9.285 13.380 33.306 1.00 0.00 H ATOM 1094 HG SER A 72 7.100 13.537 32.525 1.00 0.00 H ATOM 1095 H SER A 72 10.203 14.288 35.417 1.00 0.00 H ATOM 1096 N ARG A 73 5.770 14.968 35.112 1.00 19.47 N ATOM 1097 CA ARG A 73 4.500 14.917 35.852 1.00 15.83 C ATOM 1098 C ARG A 73 3.493 13.931 35.241 1.00 14.59 C ATOM 1099 O ARG A 73 2.644 13.395 35.949 1.00 20.26 O ATOM 1100 CB ARG A 73 3.861 16.308 35.933 1.00 17.57 C ATOM 1101 CG ARG A 73 4.593 17.286 36.833 1.00 23.85 C ATOM 1102 CD ARG A 73 4.452 16.870 38.272 1.00 23.94 C ATOM 1103 NE ARG A 73 3.084 17.052 38.744 1.00 28.01 N ATOM 1104 CZ ARG A 73 2.617 18.186 39.256 1.00 29.11 C ATOM 1105 NH1 ARG A 73 3.411 19.242 39.362 1.00 31.01 N ATOM 1106 NH2 ARG A 73 1.359 18.256 39.671 1.00 28.40 N ATOM 1107 HA ARG A 73 4.747 14.563 36.853 1.00 0.00 H ATOM 1108 HB2 ARG A 73 3.830 16.728 34.928 1.00 0.00 H ATOM 1109 HB3 ARG A 73 2.844 16.194 36.309 1.00 0.00 H ATOM 1110 HG2 ARG A 73 5.649 17.303 36.564 1.00 0.00 H ATOM 1111 HG3 ARG A 73 4.170 18.282 36.702 1.00 0.00 H ATOM 1112 HD2 ARG A 73 5.122 17.474 38.884 1.00 0.00 H ATOM 1113 HD3 ARG A 73 4.724 15.819 38.366 1.00 0.00 H ATOM 1114 HE ARG A 73 2.433 16.244 38.676 1.00 0.00 H ATOM 1115 HH12 ARG A 73 3.045 20.129 39.763 1.00 0.00 H ATOM 1116 HH11 ARG A 73 4.400 19.183 39.044 1.00 0.00 H ATOM 1117 HH22 ARG A 73 0.992 19.143 40.072 1.00 0.00 H ATOM 1118 HH21 ARG A 73 0.739 17.424 39.595 1.00 0.00 H ATOM 1119 H ARG A 73 5.790 15.428 34.179 1.00 0.00 H ATOM 1120 N ASN A 74 3.542 13.739 33.929 1.00 15.87 N ATOM 1121 CA ASN A 74 2.629 12.817 33.247 1.00 10.07 C ATOM 1122 C ASN A 74 1.170 13.098 33.608 1.00 9.03 C ATOM 1123 O ASN A 74 0.418 12.189 33.977 1.00 12.34 O ATOM 1124 CB ASN A 74 2.973 11.367 33.598 1.00 12.34 C ATOM 1125 CG ASN A 74 2.325 10.364 32.653 1.00 12.36 C ATOM 1126 OD1 ASN A 74 2.341 9.155 32.899 1.00 13.72 O ATOM 1127 ND2 ASN A 74 1.766 10.853 31.557 1.00 8.58 N ATOM 1128 HA ASN A 74 2.752 12.972 32.175 1.00 0.00 H ATOM 1129 HB2 ASN A 74 4.055 11.243 33.550 1.00 0.00 H ATOM 1130 HB3 ASN A 74 2.630 11.163 34.612 1.00 0.00 H ATOM 1131 HD22 ASN A 74 1.772 11.878 31.383 1.00 0.00 H ATOM 1132 HD21 ASN A 74 1.321 10.212 30.870 1.00 0.00 H ATOM 1133 H ASN A 74 4.248 14.257 33.369 1.00 0.00 H ATOM 1134 N LEU A 75 0.753 14.345 33.427 1.00 14.67 N ATOM 1135 CA LEU A 75 -0.599 14.757 33.769 1.00 13.73 C ATOM 1136 C LEU A 75 -1.653 14.115 32.897 1.00 14.52 C ATOM 1137 O LEU A 75 -2.815 14.066 33.299 1.00 14.35 O ATOM 1138 CB LEU A 75 -0.720 16.277 33.745 1.00 15.84 C ATOM 1139 CG LEU A 75 0.115 16.934 34.848 1.00 14.43 C ATOM 1140 CD1 LEU A 75 0.158 18.453 34.645 1.00 15.52 C ATOM 1141 CD2 LEU A 75 -0.434 16.559 36.226 1.00 14.72 C ATOM 1142 HA LEU A 75 -0.786 14.404 34.783 1.00 0.00 H ATOM 1143 HB2 LEU A 75 -0.377 16.643 32.777 1.00 0.00 H ATOM 1144 HB3 LEU A 75 -1.766 16.550 33.885 1.00 0.00 H ATOM 1145 HG LEU A 75 1.139 16.564 34.792 1.00 0.00 H ATOM 1146 HD21 LEU A 75 -1.466 16.900 36.310 1.00 0.00 H ATOM 1147 HD22 LEU A 75 -0.397 15.477 36.348 1.00 0.00 H ATOM 1148 HD23 LEU A 75 0.171 17.034 36.998 1.00 0.00 H ATOM 1149 HD11 LEU A 75 0.606 18.676 33.677 1.00 0.00 H ATOM 1150 HD12 LEU A 75 -0.856 18.852 34.679 1.00 0.00 H ATOM 1151 HD13 LEU A 75 0.755 18.907 35.436 1.00 0.00 H ATOM 1152 H LEU A 75 1.411 15.046 33.030 1.00 0.00 H ATOM 1153 N CYS A 76 -1.287 13.668 31.693 1.00 14.13 N ATOM 1154 CA CYS A 76 -2.256 12.992 30.818 1.00 11.14 C ATOM 1155 C CYS A 76 -2.225 11.475 31.013 1.00 10.10 C ATOM 1156 O CYS A 76 -2.962 10.755 30.348 1.00 12.84 O ATOM 1157 CB CYS A 76 -2.047 13.347 29.338 1.00 7.22 C ATOM 1158 SG CYS A 76 -2.415 15.095 28.968 1.00 8.68 S ATOM 1159 HA CYS A 76 -3.242 13.356 31.109 1.00 0.00 H ATOM 1160 HB2 CYS A 76 -2.701 12.718 28.734 1.00 0.00 H ATOM 1161 HB3 CYS A 76 -1.008 13.147 29.075 1.00 0.00 H ATOM 1162 H CYS A 76 -0.307 13.799 31.371 1.00 0.00 H ATOM 1163 N ASN A 77 -1.379 11.010 31.938 1.00 9.73 N ATOM 1164 CA ASN A 77 -1.232 9.583 32.283 1.00 11.59 C ATOM 1165 C ASN A 77 -1.122 8.672 31.069 1.00 13.04 C ATOM 1166 O ASN A 77 -1.899 7.733 30.911 1.00 12.58 O ATOM 1167 CB ASN A 77 -2.373 9.101 33.190 1.00 17.86 C ATOM 1168 CG ASN A 77 -2.253 9.628 34.607 1.00 20.46 C ATOM 1169 OD1 ASN A 77 -1.374 9.195 35.369 1.00 26.09 O ATOM 1170 ND2 ASN A 77 -3.122 10.580 34.970 1.00 22.43 N ATOM 1171 HA ASN A 77 -0.288 9.516 32.823 1.00 0.00 H ATOM 1172 HB2 ASN A 77 -3.320 9.440 32.770 1.00 0.00 H ATOM 1173 HB3 ASN A 77 -2.359 8.011 33.220 1.00 0.00 H ATOM 1174 HD22 ASN A 77 -3.842 10.911 34.296 1.00 0.00 H ATOM 1175 HD21 ASN A 77 -3.077 10.988 35.926 1.00 0.00 H ATOM 1176 H ASN A 77 -0.787 11.698 32.446 1.00 0.00 H ATOM 1177 N ILE A 78 -0.151 8.956 30.218 1.00 12.95 N ATOM 1178 CA ILE A 78 0.097 8.153 29.033 1.00 9.65 C ATOM 1179 C ILE A 78 1.575 8.207 28.669 1.00 11.00 C ATOM 1180 O ILE A 78 2.284 9.168 29.016 1.00 10.41 O ATOM 1181 CB ILE A 78 -0.632 8.701 27.777 1.00 9.17 C ATOM 1182 CG1 ILE A 78 -0.435 10.216 27.696 1.00 12.15 C ATOM 1183 CG2 ILE A 78 -2.091 8.269 27.740 1.00 13.54 C ATOM 1184 CD1 ILE A 78 -0.688 10.776 26.342 1.00 16.61 C ATOM 1185 HA ILE A 78 -0.254 7.151 29.280 1.00 0.00 H ATOM 1186 HB ILE A 78 -0.190 8.268 26.880 1.00 0.00 H ATOM 1187 HG12 ILE A 78 -1.119 10.691 28.399 1.00 0.00 H ATOM 1188 HG13 ILE A 78 0.592 10.446 27.978 1.00 0.00 H ATOM 1189 HD11 ILE A 78 -0.004 10.319 25.627 1.00 0.00 H ATOM 1190 HD12 ILE A 78 -1.716 10.564 26.049 1.00 0.00 H ATOM 1191 HD13 ILE A 78 -0.529 11.854 26.361 1.00 0.00 H ATOM 1192 HG21 ILE A 78 -2.146 7.181 27.722 1.00 0.00 H ATOM 1193 HG22 ILE A 78 -2.603 8.645 28.626 1.00 0.00 H ATOM 1194 HG23 ILE A 78 -2.566 8.673 26.846 1.00 0.00 H ATOM 1195 H ILE A 78 0.455 9.781 30.403 1.00 0.00 H ATOM 1196 N PRO A 79 2.077 7.153 28.013 1.00 12.69 N ATOM 1197 CA PRO A 79 3.485 7.184 27.630 1.00 9.44 C ATOM 1198 C PRO A 79 3.519 8.152 26.450 1.00 9.06 C ATOM 1199 O PRO A 79 2.550 8.240 25.694 1.00 9.27 O ATOM 1200 CB PRO A 79 3.760 5.733 27.220 1.00 7.25 C ATOM 1201 CG PRO A 79 2.442 5.241 26.738 1.00 6.38 C ATOM 1202 CD PRO A 79 1.478 5.828 27.743 1.00 10.42 C ATOM 1203 HA PRO A 79 4.215 7.503 28.374 1.00 0.00 H ATOM 1204 HD3 PRO A 79 0.477 5.925 27.322 1.00 0.00 H ATOM 1205 HD2 PRO A 79 1.433 5.222 28.648 1.00 0.00 H ATOM 1206 HG3 PRO A 79 2.402 4.152 26.745 1.00 0.00 H ATOM 1207 HG2 PRO A 79 2.231 5.604 25.732 1.00 0.00 H ATOM 1208 HB2 PRO A 79 4.505 5.689 26.425 1.00 0.00 H ATOM 1209 HB3 PRO A 79 4.105 5.148 28.072 1.00 0.00 H ATOM 1210 N CYS A 80 4.599 8.902 26.291 1.00 8.71 N ATOM 1211 CA CYS A 80 4.664 9.859 25.191 1.00 7.90 C ATOM 1212 C CYS A 80 4.518 9.189 23.843 1.00 8.73 C ATOM 1213 O CYS A 80 3.958 9.779 22.919 1.00 7.77 O ATOM 1214 CB CYS A 80 5.954 10.681 25.249 1.00 5.74 C ATOM 1215 SG CYS A 80 6.123 11.672 26.771 1.00 5.39 S ATOM 1216 HA CYS A 80 3.818 10.536 25.311 1.00 0.00 H ATOM 1217 HB2 CYS A 80 5.971 11.357 24.394 1.00 0.00 H ATOM 1218 HB3 CYS A 80 6.801 9.998 25.187 1.00 0.00 H ATOM 1219 H CYS A 80 5.399 8.809 26.949 1.00 0.00 H ATOM 1220 N SER A 81 4.953 7.934 23.739 1.00 10.51 N ATOM 1221 CA SER A 81 4.860 7.174 22.484 1.00 11.06 C ATOM 1222 C SER A 81 3.418 7.069 21.966 1.00 12.40 C ATOM 1223 O SER A 81 3.210 6.923 20.765 1.00 12.47 O ATOM 1224 CB SER A 81 5.448 5.761 22.666 1.00 8.99 C ATOM 1225 OG SER A 81 4.770 5.056 23.699 1.00 15.99 O ATOM 1226 HA SER A 81 5.439 7.722 21.741 1.00 0.00 H ATOM 1227 HB2 SER A 81 6.504 5.844 22.924 1.00 0.00 H ATOM 1228 HB3 SER A 81 5.347 5.209 21.731 1.00 0.00 H ATOM 1229 HG SER A 81 3.811 4.974 23.467 1.00 0.00 H ATOM 1230 H SER A 81 5.372 7.477 24.574 1.00 0.00 H ATOM 1231 N ALA A 82 2.444 7.129 22.874 1.00 12.98 N ATOM 1232 CA ALA A 82 1.023 7.052 22.519 1.00 15.16 C ATOM 1233 C ALA A 82 0.581 8.276 21.703 1.00 11.43 C ATOM 1234 O ALA A 82 -0.432 8.246 20.990 1.00 16.73 O ATOM 1235 CB ALA A 82 0.182 6.937 23.784 1.00 10.56 C ATOM 1236 HA ALA A 82 0.875 6.167 21.900 1.00 0.00 H ATOM 1237 HB1 ALA A 82 0.468 6.037 24.328 1.00 0.00 H ATOM 1238 HB2 ALA A 82 0.351 7.812 24.412 1.00 0.00 H ATOM 1239 HB3 ALA A 82 -0.872 6.880 23.514 1.00 0.00 H ATOM 1240 H ALA A 82 2.702 7.235 23.876 1.00 0.00 H ATOM 1241 N LEU A 83 1.350 9.353 21.816 1.00 16.01 N ATOM 1242 CA LEU A 83 1.064 10.603 21.105 1.00 14.72 C ATOM 1243 C LEU A 83 1.644 10.590 19.690 1.00 12.02 C ATOM 1244 O LEU A 83 1.538 11.575 18.974 1.00 8.68 O ATOM 1245 CB LEU A 83 1.646 11.790 21.879 1.00 11.03 C ATOM 1246 CG LEU A 83 1.129 11.895 23.312 1.00 10.14 C ATOM 1247 CD1 LEU A 83 1.829 13.024 24.054 1.00 9.66 C ATOM 1248 CD2 LEU A 83 -0.390 12.090 23.282 1.00 12.93 C ATOM 1249 HA LEU A 83 -0.019 10.701 21.031 1.00 0.00 H ATOM 1250 HB2 LEU A 83 2.730 11.684 21.910 1.00 0.00 H ATOM 1251 HB3 LEU A 83 1.387 12.707 21.350 1.00 0.00 H ATOM 1252 HG LEU A 83 1.351 10.975 23.853 1.00 0.00 H ATOM 1253 HD21 LEU A 83 -0.627 13.004 22.737 1.00 0.00 H ATOM 1254 HD22 LEU A 83 -0.855 11.239 22.785 1.00 0.00 H ATOM 1255 HD23 LEU A 83 -0.766 12.166 24.302 1.00 0.00 H ATOM 1256 HD11 LEU A 83 2.901 12.831 24.079 1.00 0.00 H ATOM 1257 HD12 LEU A 83 1.640 13.967 23.540 1.00 0.00 H ATOM 1258 HD13 LEU A 83 1.445 13.080 25.073 1.00 0.00 H ATOM 1259 H LEU A 83 2.187 9.308 22.432 1.00 0.00 H ATOM 1260 N LEU A 84 2.271 9.488 19.294 1.00 11.10 N ATOM 1261 CA LEU A 84 2.868 9.419 17.963 1.00 9.24 C ATOM 1262 C LEU A 84 2.085 8.508 17.022 1.00 13.29 C ATOM 1263 O LEU A 84 2.469 8.337 15.865 1.00 14.80 O ATOM 1264 CB LEU A 84 4.318 8.941 18.055 1.00 6.95 C ATOM 1265 CG LEU A 84 5.263 9.790 18.903 1.00 12.65 C ATOM 1266 CD1 LEU A 84 6.572 9.063 19.015 1.00 9.73 C ATOM 1267 CD2 LEU A 84 5.484 11.160 18.278 1.00 8.36 C ATOM 1268 HA LEU A 84 2.838 10.427 17.548 1.00 0.00 H ATOM 1269 HB2 LEU A 84 4.309 7.935 18.475 1.00 0.00 H ATOM 1270 HB3 LEU A 84 4.721 8.907 17.043 1.00 0.00 H ATOM 1271 HG LEU A 84 4.823 9.945 19.888 1.00 0.00 H ATOM 1272 HD21 LEU A 84 5.920 11.039 17.286 1.00 0.00 H ATOM 1273 HD22 LEU A 84 4.529 11.679 18.196 1.00 0.00 H ATOM 1274 HD23 LEU A 84 6.161 11.739 18.906 1.00 0.00 H ATOM 1275 HD11 LEU A 84 6.409 8.095 19.489 1.00 0.00 H ATOM 1276 HD12 LEU A 84 6.991 8.916 18.019 1.00 0.00 H ATOM 1277 HD13 LEU A 84 7.263 9.652 19.618 1.00 0.00 H ATOM 1278 H LEU A 84 2.337 8.671 19.934 1.00 0.00 H ATOM 1279 N SER A 85 0.988 7.944 17.511 1.00 12.64 N ATOM 1280 CA SER A 85 0.159 7.032 16.732 1.00 12.98 C ATOM 1281 C SER A 85 -0.519 7.728 15.545 1.00 15.55 C ATOM 1282 O SER A 85 -0.698 8.947 15.551 1.00 15.48 O ATOM 1283 CB SER A 85 -0.890 6.415 17.667 1.00 16.44 C ATOM 1284 OG SER A 85 -1.913 5.749 16.957 1.00 18.43 O ATOM 1285 HA SER A 85 0.797 6.256 16.308 1.00 0.00 H ATOM 1286 HB2 SER A 85 -1.337 7.209 18.265 1.00 0.00 H ATOM 1287 HB3 SER A 85 -0.396 5.700 18.325 1.00 0.00 H ATOM 1288 HG SER A 85 -1.517 5.021 16.416 1.00 0.00 H ATOM 1289 H SER A 85 0.708 8.161 18.489 1.00 0.00 H ATOM 1290 N SER A 86 -0.842 6.956 14.507 1.00 13.59 N ATOM 1291 CA SER A 86 -1.553 7.488 13.351 1.00 13.88 C ATOM 1292 C SER A 86 -2.965 7.904 13.793 1.00 15.09 C ATOM 1293 O SER A 86 -3.628 8.723 13.145 1.00 18.41 O ATOM 1294 CB SER A 86 -1.621 6.442 12.231 1.00 14.79 C ATOM 1295 OG SER A 86 -2.230 5.243 12.685 1.00 17.28 O ATOM 1296 HA SER A 86 -1.022 8.355 12.959 1.00 0.00 H ATOM 1297 HB2 SER A 86 -0.610 6.220 11.889 1.00 0.00 H ATOM 1298 HB3 SER A 86 -2.203 6.845 11.402 1.00 0.00 H ATOM 1299 HG SER A 86 -1.702 4.870 13.435 1.00 0.00 H ATOM 1300 H SER A 86 -0.580 5.950 14.522 1.00 0.00 H ATOM 1301 N ASP A 87 -3.420 7.304 14.892 1.00 13.36 N ATOM 1302 CA ASP A 87 -4.711 7.621 15.508 1.00 14.86 C ATOM 1303 C ASP A 87 -4.496 8.805 16.480 1.00 11.42 C ATOM 1304 O ASP A 87 -3.825 8.642 17.505 1.00 13.04 O ATOM 1305 CB ASP A 87 -5.219 6.376 16.267 1.00 17.80 C ATOM 1306 CG ASP A 87 -6.608 6.556 16.845 1.00 19.46 C ATOM 1307 OD1 ASP A 87 -6.770 7.387 17.748 1.00 24.08 O ATOM 1308 OD2 ASP A 87 -7.543 5.855 16.397 1.00 25.10 O ATOM 1309 HA ASP A 87 -5.452 7.897 14.758 1.00 0.00 H ATOM 1310 HB2 ASP A 87 -5.237 5.532 15.577 1.00 0.00 H ATOM 1311 HB3 ASP A 87 -4.529 6.162 17.083 1.00 0.00 H ATOM 1312 H ASP A 87 -2.828 6.573 15.336 1.00 0.00 H ATOM 1313 N ILE A 88 -5.099 9.964 16.215 1.00 12.64 N ATOM 1314 CA ILE A 88 -4.868 11.158 17.060 1.00 13.77 C ATOM 1315 C ILE A 88 -5.670 11.227 18.383 1.00 7.80 C ATOM 1316 O ILE A 88 -5.534 12.203 19.123 1.00 11.00 O ATOM 1317 CB ILE A 88 -5.079 12.481 16.255 1.00 11.76 C ATOM 1318 CG1 ILE A 88 -6.567 12.699 15.908 1.00 10.20 C ATOM 1319 CG2 ILE A 88 -4.227 12.459 14.994 1.00 10.17 C ATOM 1320 CD1 ILE A 88 -6.886 14.116 15.378 1.00 6.65 C ATOM 1321 HA ILE A 88 -3.825 11.049 17.358 1.00 0.00 H ATOM 1322 HB ILE A 88 -4.766 13.317 16.880 1.00 0.00 H ATOM 1323 HG12 ILE A 88 -6.851 11.975 15.145 1.00 0.00 H ATOM 1324 HG13 ILE A 88 -7.158 12.528 16.808 1.00 0.00 H ATOM 1325 HD11 ILE A 88 -6.619 14.854 16.134 1.00 0.00 H ATOM 1326 HD12 ILE A 88 -6.312 14.301 14.470 1.00 0.00 H ATOM 1327 HD13 ILE A 88 -7.951 14.189 15.157 1.00 0.00 H ATOM 1328 HG21 ILE A 88 -3.176 12.367 15.269 1.00 0.00 H ATOM 1329 HG22 ILE A 88 -4.518 11.610 14.375 1.00 0.00 H ATOM 1330 HG23 ILE A 88 -4.379 13.384 14.438 1.00 0.00 H ATOM 1331 H ILE A 88 -5.743 10.031 15.401 1.00 0.00 H ATOM 1332 N THR A 89 -6.444 10.202 18.721 1.00 11.84 N ATOM 1333 CA THR A 89 -7.271 10.223 19.935 1.00 11.39 C ATOM 1334 C THR A 89 -6.506 10.639 21.217 1.00 11.27 C ATOM 1335 O THR A 89 -6.943 11.558 21.932 1.00 4.36 O ATOM 1336 CB THR A 89 -7.994 8.872 20.135 1.00 10.15 C ATOM 1337 OG1 THR A 89 -8.819 8.612 18.992 1.00 8.85 O ATOM 1338 CG2 THR A 89 -8.867 8.900 21.369 1.00 15.91 C ATOM 1339 HA THR A 89 -8.013 11.005 19.771 1.00 0.00 H ATOM 1340 HB THR A 89 -7.243 8.092 20.256 1.00 0.00 H ATOM 1341 HG1 THR A 89 -8.253 8.572 18.180 1.00 0.00 H ATOM 1342 HG23 THR A 89 -8.249 9.097 22.245 1.00 0.00 H ATOM 1343 HG21 THR A 89 -9.615 9.686 21.266 1.00 0.00 H ATOM 1344 HG22 THR A 89 -9.364 7.937 21.483 1.00 0.00 H ATOM 1345 H THR A 89 -6.465 9.361 18.109 1.00 0.00 H ATOM 1346 N ALA A 90 -5.373 9.995 21.493 1.00 11.64 N ATOM 1347 CA ALA A 90 -4.594 10.308 22.688 1.00 9.65 C ATOM 1348 C ALA A 90 -4.107 11.752 22.676 1.00 7.16 C ATOM 1349 O ALA A 90 -4.137 12.415 23.710 1.00 7.61 O ATOM 1350 CB ALA A 90 -3.415 9.344 22.842 1.00 6.52 C ATOM 1351 HA ALA A 90 -5.253 10.185 23.547 1.00 0.00 H ATOM 1352 HB1 ALA A 90 -3.790 8.324 22.926 1.00 0.00 H ATOM 1353 HB2 ALA A 90 -2.766 9.424 21.970 1.00 0.00 H ATOM 1354 HB3 ALA A 90 -2.853 9.600 23.740 1.00 0.00 H ATOM 1355 H ALA A 90 -5.037 9.255 20.845 1.00 0.00 H ATOM 1356 N SER A 91 -3.642 12.234 21.526 1.00 5.28 N ATOM 1357 CA SER A 91 -3.180 13.621 21.419 1.00 6.03 C ATOM 1358 C SER A 91 -4.320 14.611 21.686 1.00 7.01 C ATOM 1359 O SER A 91 -4.150 15.593 22.399 1.00 3.21 O ATOM 1360 CB SER A 91 -2.582 13.884 20.037 1.00 6.33 C ATOM 1361 OG SER A 91 -1.278 13.347 19.963 1.00 8.72 O ATOM 1362 HA SER A 91 -2.410 13.769 22.177 1.00 0.00 H ATOM 1363 HB2 SER A 91 -2.540 14.959 19.860 1.00 0.00 H ATOM 1364 HB3 SER A 91 -3.209 13.416 19.278 1.00 0.00 H ATOM 1365 HG SER A 91 -0.900 13.523 19.065 1.00 0.00 H ATOM 1366 H SER A 91 -3.606 11.617 20.690 1.00 0.00 H ATOM 1367 N VAL A 92 -5.487 14.339 21.117 1.00 5.67 N ATOM 1368 CA VAL A 92 -6.642 15.215 21.301 1.00 9.64 C ATOM 1369 C VAL A 92 -7.067 15.274 22.748 1.00 8.15 C ATOM 1370 O VAL A 92 -7.207 16.351 23.316 1.00 9.30 O ATOM 1371 CB VAL A 92 -7.849 14.757 20.446 1.00 9.43 C ATOM 1372 CG1 VAL A 92 -9.148 15.474 20.906 1.00 9.45 C ATOM 1373 CG2 VAL A 92 -7.560 15.042 18.980 1.00 9.53 C ATOM 1374 HA VAL A 92 -6.328 16.207 20.976 1.00 0.00 H ATOM 1375 HB VAL A 92 -8.000 13.686 20.577 1.00 0.00 H ATOM 1376 HG11 VAL A 92 -9.343 15.234 21.951 1.00 0.00 H ATOM 1377 HG12 VAL A 92 -9.025 16.551 20.796 1.00 0.00 H ATOM 1378 HG13 VAL A 92 -9.984 15.138 20.292 1.00 0.00 H ATOM 1379 HG21 VAL A 92 -7.399 16.111 18.844 1.00 0.00 H ATOM 1380 HG22 VAL A 92 -6.667 14.497 18.675 1.00 0.00 H ATOM 1381 HG23 VAL A 92 -8.408 14.721 18.375 1.00 0.00 H ATOM 1382 H VAL A 92 -5.582 13.486 20.529 1.00 0.00 H ATOM 1383 N ASN A 93 -7.215 14.117 23.368 1.00 7.66 N ATOM 1384 CA ASN A 93 -7.663 14.098 24.746 1.00 10.22 C ATOM 1385 C ASN A 93 -6.680 14.769 25.690 1.00 7.09 C ATOM 1386 O ASN A 93 -7.091 15.421 26.642 1.00 8.69 O ATOM 1387 CB ASN A 93 -8.048 12.685 25.162 1.00 14.12 C ATOM 1388 CG ASN A 93 -9.357 12.249 24.529 1.00 18.54 C ATOM 1389 OD1 ASN A 93 -10.270 13.065 24.323 1.00 21.00 O ATOM 1390 ND2 ASN A 93 -9.456 10.970 24.199 1.00 25.63 N ATOM 1391 HA ASN A 93 -8.565 14.705 24.818 1.00 0.00 H ATOM 1392 HB2 ASN A 93 -7.260 11.998 24.853 1.00 0.00 H ATOM 1393 HB3 ASN A 93 -8.152 12.652 26.247 1.00 0.00 H ATOM 1394 HD22 ASN A 93 -8.666 10.321 24.390 1.00 0.00 H ATOM 1395 HD21 ASN A 93 -10.324 10.615 23.749 1.00 0.00 H ATOM 1396 H ASN A 93 -7.012 13.226 22.871 1.00 0.00 H ATOM 1397 N CYS A 94 -5.385 14.667 25.401 1.00 12.96 N ATOM 1398 CA CYS A 94 -4.382 15.328 26.239 1.00 5.88 C ATOM 1399 C CYS A 94 -4.396 16.844 25.978 1.00 8.66 C ATOM 1400 O CYS A 94 -4.299 17.652 26.917 1.00 2.72 O ATOM 1401 CB CYS A 94 -2.975 14.740 26.008 1.00 9.52 C ATOM 1402 SG CYS A 94 -1.669 15.408 27.116 1.00 13.79 S ATOM 1403 HA CYS A 94 -4.638 15.149 27.283 1.00 0.00 H ATOM 1404 HB2 CYS A 94 -2.685 14.948 24.978 1.00 0.00 H ATOM 1405 HB3 CYS A 94 -3.029 13.662 26.158 1.00 0.00 H ATOM 1406 H CYS A 94 -5.083 14.114 24.574 1.00 0.00 H ATOM 1407 N ALA A 95 -4.531 17.227 24.706 1.00 6.48 N ATOM 1408 CA ALA A 95 -4.592 18.644 24.331 1.00 7.25 C ATOM 1409 C ALA A 95 -5.781 19.332 25.023 1.00 9.40 C ATOM 1410 O ALA A 95 -5.700 20.502 25.381 1.00 4.68 O ATOM 1411 CB ALA A 95 -4.701 18.786 22.828 1.00 5.69 C ATOM 1412 HA ALA A 95 -3.673 19.130 24.660 1.00 0.00 H ATOM 1413 HB1 ALA A 95 -3.830 18.330 22.357 1.00 0.00 H ATOM 1414 HB2 ALA A 95 -5.606 18.287 22.482 1.00 0.00 H ATOM 1415 HB3 ALA A 95 -4.745 19.843 22.566 1.00 0.00 H ATOM 1416 H ALA A 95 -4.594 16.503 23.962 1.00 0.00 H ATOM 1417 N LYS A 96 -6.886 18.597 25.191 1.00 7.59 N ATOM 1418 CA LYS A 96 -8.077 19.115 25.877 1.00 9.13 C ATOM 1419 C LYS A 96 -7.763 19.411 27.353 1.00 8.25 C ATOM 1420 O LYS A 96 -8.229 20.417 27.905 1.00 11.29 O ATOM 1421 CB LYS A 96 -9.257 18.127 25.761 1.00 8.19 C ATOM 1422 CG LYS A 96 -9.884 18.052 24.371 1.00 7.06 C ATOM 1423 CD LYS A 96 -10.968 16.969 24.335 1.00 13.13 C ATOM 1424 CE LYS A 96 -11.833 17.073 23.085 1.00 14.02 C ATOM 1425 NZ LYS A 96 -12.848 15.979 23.038 1.00 16.92 N ATOM 1426 HA LYS A 96 -8.368 20.046 25.391 1.00 0.00 H ATOM 1427 HB2 LYS A 96 -8.897 17.133 26.027 1.00 0.00 H ATOM 1428 HB3 LYS A 96 -10.029 18.433 26.467 1.00 0.00 H ATOM 1429 HG2 LYS A 96 -10.330 19.016 24.125 1.00 0.00 H ATOM 1430 HG3 LYS A 96 -9.112 17.813 23.640 1.00 0.00 H ATOM 1431 HD2 LYS A 96 -10.489 15.990 24.352 1.00 0.00 H ATOM 1432 HD3 LYS A 96 -11.604 17.077 25.214 1.00 0.00 H ATOM 1433 HE2 LYS A 96 -11.195 17.004 22.204 1.00 0.00 H ATOM 1434 HE3 LYS A 96 -12.346 18.035 23.086 1.00 0.00 H ATOM 1435 HZ1 LYS A 96 -12.364 15.059 23.031 1.00 0.00 H ATOM 1436 HZ2 LYS A 96 -13.463 16.042 23.874 1.00 0.00 H ATOM 1437 HZ3 LYS A 96 -13.421 16.077 22.176 1.00 0.00 H ATOM 1438 H LYS A 96 -6.902 17.624 24.823 1.00 0.00 H ATOM 1439 N LYS A 97 -6.973 18.551 27.997 1.00 8.54 N ATOM 1440 CA LYS A 97 -6.572 18.799 29.382 1.00 11.87 C ATOM 1441 C LYS A 97 -5.636 20.013 29.449 1.00 9.02 C ATOM 1442 O LYS A 97 -5.778 20.866 30.311 1.00 10.80 O ATOM 1443 CB LYS A 97 -5.866 17.573 29.974 1.00 18.45 C ATOM 1444 CG LYS A 97 -6.719 16.327 29.900 1.00 22.95 C ATOM 1445 CD LYS A 97 -6.070 15.053 30.444 1.00 26.01 C ATOM 1446 CE LYS A 97 -6.987 13.884 30.082 1.00 27.82 C ATOM 1447 NZ LYS A 97 -6.652 12.583 30.693 1.00 29.31 N ATOM 1448 HA LYS A 97 -7.471 19.000 29.965 1.00 0.00 H ATOM 1449 HB2 LYS A 97 -4.943 17.399 29.421 1.00 0.00 H ATOM 1450 HB3 LYS A 97 -5.630 17.775 31.019 1.00 0.00 H ATOM 1451 HG2 LYS A 97 -7.631 16.509 30.469 1.00 0.00 H ATOM 1452 HG3 LYS A 97 -6.973 16.155 28.854 1.00 0.00 H ATOM 1453 HD2 LYS A 97 -5.089 14.912 29.991 1.00 0.00 H ATOM 1454 HD3 LYS A 97 -5.963 15.122 31.527 1.00 0.00 H ATOM 1455 HE2 LYS A 97 -6.959 13.761 28.999 1.00 0.00 H ATOM 1456 HE3 LYS A 97 -7.999 14.146 30.390 1.00 0.00 H ATOM 1457 HZ1 LYS A 97 -5.695 12.300 30.401 1.00 0.00 H ATOM 1458 HZ2 LYS A 97 -6.688 12.668 31.729 1.00 0.00 H ATOM 1459 HZ3 LYS A 97 -7.338 11.867 30.379 1.00 0.00 H ATOM 1460 H LYS A 97 -6.639 17.695 27.510 1.00 0.00 H ATOM 1461 N ILE A 98 -4.710 20.111 28.505 1.00 6.72 N ATOM 1462 CA ILE A 98 -3.745 21.219 28.477 1.00 5.96 C ATOM 1463 C ILE A 98 -4.418 22.603 28.303 1.00 7.60 C ATOM 1464 O ILE A 98 -4.095 23.560 29.009 1.00 9.69 O ATOM 1465 CB ILE A 98 -2.733 21.026 27.315 1.00 3.20 C ATOM 1466 CG1 ILE A 98 -1.896 19.761 27.530 1.00 1.90 C ATOM 1467 CG2 ILE A 98 -1.844 22.259 27.143 1.00 3.96 C ATOM 1468 CD1 ILE A 98 -1.035 19.389 26.313 1.00 3.91 C ATOM 1469 HA ILE A 98 -3.240 21.201 29.443 1.00 0.00 H ATOM 1470 HB ILE A 98 -3.299 20.902 26.392 1.00 0.00 H ATOM 1471 HG12 ILE A 98 -1.238 19.922 28.384 1.00 0.00 H ATOM 1472 HG13 ILE A 98 -2.570 18.932 27.744 1.00 0.00 H ATOM 1473 HD11 ILE A 98 -1.681 19.214 25.452 1.00 0.00 H ATOM 1474 HD12 ILE A 98 -0.347 20.205 26.093 1.00 0.00 H ATOM 1475 HD13 ILE A 98 -0.468 18.484 26.533 1.00 0.00 H ATOM 1476 HG21 ILE A 98 -2.466 23.126 26.922 1.00 0.00 H ATOM 1477 HG22 ILE A 98 -1.287 22.435 28.063 1.00 0.00 H ATOM 1478 HG23 ILE A 98 -1.147 22.091 26.322 1.00 0.00 H ATOM 1479 H ILE A 98 -4.665 19.383 27.763 1.00 0.00 H ATOM 1480 N VAL A 99 -5.379 22.692 27.394 1.00 6.43 N ATOM 1481 CA VAL A 99 -6.019 23.965 27.075 1.00 9.45 C ATOM 1482 C VAL A 99 -7.101 24.384 28.074 1.00 8.86 C ATOM 1483 O VAL A 99 -7.533 25.526 28.057 1.00 12.63 O ATOM 1484 CB VAL A 99 -6.625 23.902 25.665 1.00 7.70 C ATOM 1485 CG1 VAL A 99 -7.915 23.074 25.684 1.00 5.48 C ATOM 1486 CG2 VAL A 99 -6.869 25.287 25.114 1.00 9.90 C ATOM 1487 HA VAL A 99 -5.235 24.721 27.131 1.00 0.00 H ATOM 1488 HB VAL A 99 -5.912 23.412 25.002 1.00 0.00 H ATOM 1489 HG11 VAL A 99 -7.691 22.063 26.024 1.00 0.00 H ATOM 1490 HG12 VAL A 99 -8.632 23.536 26.362 1.00 0.00 H ATOM 1491 HG13 VAL A 99 -8.336 23.036 24.679 1.00 0.00 H ATOM 1492 HG21 VAL A 99 -7.560 25.820 25.767 1.00 0.00 H ATOM 1493 HG22 VAL A 99 -5.924 25.828 25.064 1.00 0.00 H ATOM 1494 HG23 VAL A 99 -7.298 25.209 24.115 1.00 0.00 H ATOM 1495 H VAL A 99 -5.685 21.832 26.895 1.00 0.00 H ATOM 1496 N SER A 100 -7.495 23.492 28.970 1.00 14.31 N ATOM 1497 CA SER A 100 -8.556 23.795 29.914 1.00 17.68 C ATOM 1498 C SER A 100 -8.077 24.541 31.157 1.00 26.30 C ATOM 1499 O SER A 100 -6.944 24.374 31.608 1.00 22.27 O ATOM 1500 CB SER A 100 -9.245 22.497 30.326 1.00 11.79 C ATOM 1501 OG SER A 100 -9.867 21.892 29.208 1.00 16.77 O ATOM 1502 HA SER A 100 -9.251 24.463 29.405 1.00 0.00 H ATOM 1503 HB2 SER A 100 -9.999 22.715 31.083 1.00 0.00 H ATOM 1504 HB3 SER A 100 -8.504 21.812 30.739 1.00 0.00 H ATOM 1505 HG SER A 100 -9.184 21.691 28.520 1.00 0.00 H ATOM 1506 H SER A 100 -7.037 22.559 28.998 1.00 0.00 H TER 1507 SER A 100 ATOM 1508 N GLY A 102 -6.180 28.056 33.111 1.00 16.57 N ATOM 1509 CA GLY A 102 -4.776 28.249 32.780 1.00 12.47 C ATOM 1510 C GLY A 102 -4.553 29.261 31.667 1.00 16.86 C ATOM 1511 O GLY A 102 -5.300 30.233 31.550 1.00 12.65 O ATOM 1512 HA3 GLY A 102 -4.360 27.292 32.466 1.00 0.00 H ATOM 1513 HA2 GLY A 102 -4.255 28.595 33.672 1.00 0.00 H ATOM 1514 HN3 GLY A 102 -6.689 27.715 32.271 1.00 0.00 H ATOM 1515 HN2 GLY A 102 -6.589 28.960 33.423 1.00 0.00 H ATOM 1516 HN1 GLY A 102 -6.262 27.355 33.875 1.00 0.00 H ATOM 1517 N ASN A 103 -3.547 29.007 30.826 1.00 16.42 N ATOM 1518 CA ASN A 103 -3.259 29.948 29.758 1.00 10.21 C ATOM 1519 C ASN A 103 -3.769 29.495 28.395 1.00 8.73 C ATOM 1520 O ASN A 103 -3.405 30.081 27.382 1.00 8.79 O ATOM 1521 CB ASN A 103 -1.778 30.351 29.724 1.00 16.62 C ATOM 1522 CG ASN A 103 -0.885 29.258 29.241 1.00 21.57 C ATOM 1523 OD1 ASN A 103 -1.288 28.100 29.147 1.00 22.72 O ATOM 1524 ND2 ASN A 103 0.355 29.612 28.927 1.00 27.95 N ATOM 1525 HA ASN A 103 -3.828 30.847 29.996 1.00 0.00 H ATOM 1526 HB2 ASN A 103 -1.667 31.209 29.061 1.00 0.00 H ATOM 1527 HB3 ASN A 103 -1.471 30.630 30.732 1.00 0.00 H ATOM 1528 HD22 ASN A 103 0.652 30.604 29.022 1.00 0.00 H ATOM 1529 HD21 ASN A 103 1.029 28.897 28.586 1.00 0.00 H ATOM 1530 H ASN A 103 -2.976 28.145 30.935 1.00 0.00 H ATOM 1531 N GLY A 104 -4.648 28.487 28.381 1.00 4.63 N ATOM 1532 CA GLY A 104 -5.240 28.007 27.147 1.00 6.52 C ATOM 1533 C GLY A 104 -4.249 27.566 26.090 1.00 6.16 C ATOM 1534 O GLY A 104 -3.309 26.843 26.407 1.00 2.38 O ATOM 1535 HA3 GLY A 104 -5.847 28.810 26.728 1.00 0.00 H ATOM 1536 HA2 GLY A 104 -5.879 27.157 27.387 1.00 0.00 H ATOM 1537 H GLY A 104 -4.914 28.035 29.279 1.00 0.00 H ATOM 1538 N MET A 105 -4.446 28.026 24.842 1.00 5.53 N ATOM 1539 CA MET A 105 -3.566 27.652 23.726 1.00 3.01 C ATOM 1540 C MET A 105 -2.191 28.320 23.766 1.00 7.28 C ATOM 1541 O MET A 105 -1.346 28.034 22.904 1.00 0.68 O ATOM 1542 CB MET A 105 -4.237 27.857 22.358 1.00 2.04 C ATOM 1543 CG MET A 105 -5.310 26.782 22.039 1.00 6.99 C ATOM 1544 SD MET A 105 -5.799 26.643 20.305 1.00 8.48 S ATOM 1545 CE MET A 105 -4.322 25.849 19.681 1.00 9.47 C ATOM 1546 HA MET A 105 -3.390 26.585 23.861 1.00 0.00 H ATOM 1547 HB2 MET A 105 -4.714 28.837 22.349 1.00 0.00 H ATOM 1548 HB3 MET A 105 -3.469 27.821 21.586 1.00 0.00 H ATOM 1549 HG2 MET A 105 -6.202 27.018 22.620 1.00 0.00 H ATOM 1550 HG3 MET A 105 -4.918 25.815 22.354 1.00 0.00 H ATOM 1551 HE1 MET A 105 -3.461 26.493 19.862 1.00 0.00 H ATOM 1552 HE2 MET A 105 -4.179 24.897 20.192 1.00 0.00 H ATOM 1553 HE3 MET A 105 -4.429 25.675 18.610 1.00 0.00 H ATOM 1554 H MET A 105 -5.246 28.666 24.661 1.00 0.00 H ATOM 1555 N ASN A 106 -1.956 29.202 24.734 1.00 4.17 N ATOM 1556 CA ASN A 106 -0.636 29.826 24.872 1.00 7.27 C ATOM 1557 C ASN A 106 0.410 28.767 25.254 1.00 7.74 C ATOM 1558 O ASN A 106 1.614 29.008 25.166 1.00 2.92 O ATOM 1559 CB ASN A 106 -0.681 30.972 25.882 1.00 7.81 C ATOM 1560 CG ASN A 106 -1.431 32.156 25.344 1.00 6.31 C ATOM 1561 OD1 ASN A 106 -0.980 32.799 24.398 1.00 3.59 O ATOM 1562 ND2 ASN A 106 -2.616 32.414 25.887 1.00 3.75 N ATOM 1563 HA ASN A 106 -0.343 30.255 23.913 1.00 0.00 H ATOM 1564 HB2 ASN A 106 -1.174 30.624 26.790 1.00 0.00 H ATOM 1565 HB3 ASN A 106 0.339 31.276 26.117 1.00 0.00 H ATOM 1566 HD22 ASN A 106 -2.957 31.843 26.687 1.00 0.00 H ATOM 1567 HD21 ASN A 106 -3.203 33.187 25.512 1.00 0.00 H ATOM 1568 H ASN A 106 -2.716 29.451 25.399 1.00 0.00 H ATOM 1569 N ALA A 107 -0.072 27.589 25.668 1.00 7.38 N ATOM 1570 CA ALA A 107 0.795 26.455 25.999 1.00 7.49 C ATOM 1571 C ALA A 107 1.597 26.019 24.758 1.00 8.06 C ATOM 1572 O ALA A 107 2.667 25.422 24.872 1.00 6.30 O ATOM 1573 CB ALA A 107 -0.053 25.291 26.493 1.00 8.01 C ATOM 1574 HA ALA A 107 1.490 26.758 26.782 1.00 0.00 H ATOM 1575 HB1 ALA A 107 -0.605 25.597 27.381 1.00 0.00 H ATOM 1576 HB2 ALA A 107 -0.754 24.996 25.712 1.00 0.00 H ATOM 1577 HB3 ALA A 107 0.595 24.449 26.738 1.00 0.00 H ATOM 1578 H ALA A 107 -1.102 27.474 25.758 1.00 0.00 H ATOM 1579 N TRP A 108 1.070 26.307 23.572 1.00 6.52 N ATOM 1580 CA TRP A 108 1.745 25.948 22.318 1.00 5.99 C ATOM 1581 C TRP A 108 2.514 27.141 21.744 1.00 9.21 C ATOM 1582 O TRP A 108 1.908 28.107 21.264 1.00 10.57 O ATOM 1583 CB TRP A 108 0.737 25.427 21.288 1.00 1.90 C ATOM 1584 CG TRP A 108 0.251 24.017 21.556 1.00 4.63 C ATOM 1585 CD1 TRP A 108 0.842 22.854 21.139 1.00 7.59 C ATOM 1586 CD2 TRP A 108 -0.921 23.627 22.305 1.00 8.51 C ATOM 1587 NE1 TRP A 108 0.116 21.773 21.583 1.00 5.11 N ATOM 1588 CE2 TRP A 108 -0.970 22.213 22.296 1.00 9.55 C ATOM 1589 CE3 TRP A 108 -1.927 24.338 22.985 1.00 8.87 C ATOM 1590 CZ2 TRP A 108 -1.986 21.487 22.941 1.00 5.32 C ATOM 1591 CZ3 TRP A 108 -2.942 23.620 23.632 1.00 7.36 C ATOM 1592 CH2 TRP A 108 -2.962 22.203 23.602 1.00 8.31 C ATOM 1593 HA TRP A 108 2.458 25.155 22.542 1.00 0.00 H ATOM 1594 HB2 TRP A 108 -0.126 26.092 21.287 1.00 0.00 H ATOM 1595 HB3 TRP A 108 1.210 25.445 20.306 1.00 0.00 H ATOM 1596 HE1 TRP A 108 0.354 20.776 21.405 1.00 0.00 H ATOM 1597 HD1 TRP A 108 1.753 22.794 20.543 1.00 0.00 H ATOM 1598 HZ2 TRP A 108 -2.002 20.397 22.920 1.00 0.00 H ATOM 1599 HH2 TRP A 108 -3.764 21.669 24.111 1.00 0.00 H ATOM 1600 HZ3 TRP A 108 -3.726 24.158 24.165 1.00 0.00 H ATOM 1601 HE3 TRP A 108 -1.917 25.428 23.008 1.00 0.00 H ATOM 1602 H TRP A 108 0.155 26.800 23.531 1.00 0.00 H ATOM 1603 N VAL A 109 3.846 27.065 21.786 1.00 5.79 N ATOM 1604 CA VAL A 109 4.723 28.127 21.279 1.00 3.42 C ATOM 1605 C VAL A 109 4.428 28.453 19.809 1.00 6.53 C ATOM 1606 O VAL A 109 4.382 29.631 19.428 1.00 5.22 O ATOM 1607 CB VAL A 109 6.237 27.743 21.436 1.00 7.39 C ATOM 1608 CG1 VAL A 109 7.158 28.882 20.946 1.00 9.40 C ATOM 1609 CG2 VAL A 109 6.533 27.409 22.869 1.00 11.48 C ATOM 1610 HA VAL A 109 4.518 29.013 21.880 1.00 0.00 H ATOM 1611 HB VAL A 109 6.434 26.868 20.817 1.00 0.00 H ATOM 1612 HG11 VAL A 109 6.958 29.082 19.893 1.00 0.00 H ATOM 1613 HG12 VAL A 109 6.965 29.781 21.531 1.00 0.00 H ATOM 1614 HG13 VAL A 109 8.199 28.584 21.069 1.00 0.00 H ATOM 1615 HG21 VAL A 109 6.314 28.274 23.495 1.00 0.00 H ATOM 1616 HG22 VAL A 109 5.914 26.568 23.180 1.00 0.00 H ATOM 1617 HG23 VAL A 109 7.585 27.144 22.969 1.00 0.00 H ATOM 1618 H VAL A 109 4.282 26.215 22.197 1.00 0.00 H ATOM 1619 N ALA A 110 4.235 27.431 18.973 1.00 4.44 N ATOM 1620 CA ALA A 110 3.949 27.713 17.566 1.00 3.89 C ATOM 1621 C ALA A 110 2.614 28.417 17.408 1.00 6.23 C ATOM 1622 O ALA A 110 2.478 29.312 16.575 1.00 7.24 O ATOM 1623 CB ALA A 110 4.003 26.448 16.701 1.00 7.92 C ATOM 1624 HA ALA A 110 4.733 28.382 17.212 1.00 0.00 H ATOM 1625 HB1 ALA A 110 4.998 26.009 16.764 1.00 0.00 H ATOM 1626 HB2 ALA A 110 3.265 25.731 17.061 1.00 0.00 H ATOM 1627 HB3 ALA A 110 3.784 26.708 15.665 1.00 0.00 H ATOM 1628 H ALA A 110 4.287 26.450 19.316 1.00 0.00 H ATOM 1629 N TRP A 111 1.641 28.060 18.239 1.00 6.44 N ATOM 1630 CA TRP A 111 0.356 28.723 18.155 1.00 4.69 C ATOM 1631 C TRP A 111 0.502 30.208 18.499 1.00 7.41 C ATOM 1632 O TRP A 111 0.058 31.066 17.739 1.00 4.18 O ATOM 1633 CB TRP A 111 -0.689 28.072 19.077 1.00 6.92 C ATOM 1634 CG TRP A 111 -2.027 28.778 18.995 1.00 3.53 C ATOM 1635 CD1 TRP A 111 -2.986 28.625 18.022 1.00 4.54 C ATOM 1636 CD2 TRP A 111 -2.535 29.760 19.908 1.00 4.44 C ATOM 1637 NE1 TRP A 111 -4.053 29.450 18.282 1.00 6.48 N ATOM 1638 CE2 TRP A 111 -3.805 30.153 19.434 1.00 3.18 C ATOM 1639 CE3 TRP A 111 -2.039 30.340 21.089 1.00 7.52 C ATOM 1640 CZ2 TRP A 111 -4.598 31.104 20.097 1.00 7.33 C ATOM 1641 CZ3 TRP A 111 -2.828 31.290 21.752 1.00 5.92 C ATOM 1642 CH2 TRP A 111 -4.100 31.662 21.249 1.00 4.15 C ATOM 1643 HA TRP A 111 0.003 28.620 17.129 1.00 0.00 H ATOM 1644 HB2 TRP A 111 -0.820 27.031 18.783 1.00 0.00 H ATOM 1645 HB3 TRP A 111 -0.329 28.115 20.105 1.00 0.00 H ATOM 1646 HE1 TRP A 111 -4.911 29.529 17.699 1.00 0.00 H ATOM 1647 HD1 TRP A 111 -2.911 27.949 17.170 1.00 0.00 H ATOM 1648 HZ2 TRP A 111 -5.576 31.390 19.710 1.00 0.00 H ATOM 1649 HH2 TRP A 111 -4.693 32.403 21.785 1.00 0.00 H ATOM 1650 HZ3 TRP A 111 -2.458 31.750 22.668 1.00 0.00 H ATOM 1651 HE3 TRP A 111 -1.062 30.057 21.480 1.00 0.00 H ATOM 1652 H TRP A 111 1.800 27.312 18.943 1.00 0.00 H ATOM 1653 N ARG A 112 1.144 30.509 19.627 1.00 8.17 N ATOM 1654 CA ARG A 112 1.338 31.900 20.050 1.00 9.88 C ATOM 1655 C ARG A 112 2.046 32.720 18.998 1.00 7.47 C ATOM 1656 O ARG A 112 1.595 33.794 18.636 1.00 7.56 O ATOM 1657 CB ARG A 112 2.223 32.017 21.307 1.00 11.13 C ATOM 1658 CG ARG A 112 1.647 31.577 22.607 1.00 10.47 C ATOM 1659 CD ARG A 112 2.434 32.200 23.783 1.00 12.47 C ATOM 1660 NE ARG A 112 3.899 32.161 23.653 1.00 13.62 N ATOM 1661 CZ ARG A 112 4.686 31.151 24.037 1.00 10.40 C ATOM 1662 NH1 ARG A 112 4.174 30.048 24.580 1.00 12.51 N ATOM 1663 NH2 ARG A 112 6.004 31.258 23.917 1.00 8.02 N ATOM 1664 HA ARG A 112 0.328 32.265 20.238 1.00 0.00 H ATOM 1665 HB2 ARG A 112 3.119 31.422 21.130 1.00 0.00 H ATOM 1666 HB3 ARG A 112 2.500 33.066 21.413 1.00 0.00 H ATOM 1667 HG2 ARG A 112 0.605 31.893 22.664 1.00 0.00 H ATOM 1668 HG3 ARG A 112 1.700 30.490 22.674 1.00 0.00 H ATOM 1669 HD2 ARG A 112 2.162 31.663 24.692 1.00 0.00 H ATOM 1670 HD3 ARG A 112 2.132 33.243 23.875 1.00 0.00 H ATOM 1671 HE ARG A 112 4.361 32.989 23.226 1.00 0.00 H ATOM 1672 HH12 ARG A 112 4.802 29.273 24.873 1.00 0.00 H ATOM 1673 HH11 ARG A 112 3.146 29.962 24.711 1.00 0.00 H ATOM 1674 HH22 ARG A 112 6.619 30.474 24.215 1.00 0.00 H ATOM 1675 HH21 ARG A 112 6.422 32.126 23.525 1.00 0.00 H ATOM 1676 H ARG A 112 1.516 29.740 20.221 1.00 0.00 H ATOM 1677 N ASN A 113 3.144 32.186 18.488 1.00 8.91 N ATOM 1678 CA ASN A 113 3.976 32.920 17.550 1.00 8.41 C ATOM 1679 C ASN A 113 3.521 32.912 16.101 1.00 4.50 C ATOM 1680 O ASN A 113 3.907 33.811 15.361 1.00 12.19 O ATOM 1681 CB ASN A 113 5.423 32.424 17.657 1.00 9.30 C ATOM 1682 CG ASN A 113 6.015 32.701 19.018 1.00 11.26 C ATOM 1683 OD1 ASN A 113 5.539 33.582 19.738 1.00 14.32 O ATOM 1684 ND2 ASN A 113 7.014 31.935 19.403 1.00 4.05 N ATOM 1685 HA ASN A 113 3.887 33.964 17.849 1.00 0.00 H ATOM 1686 HB2 ASN A 113 5.441 31.349 17.477 1.00 0.00 H ATOM 1687 HB3 ASN A 113 6.025 32.928 16.901 1.00 0.00 H ATOM 1688 HD22 ASN A 113 7.385 31.204 18.763 1.00 0.00 H ATOM 1689 HD21 ASN A 113 7.432 32.061 20.347 1.00 0.00 H ATOM 1690 H ASN A 113 3.417 31.221 18.764 1.00 0.00 H ATOM 1691 N ARG A 114 2.698 31.962 15.666 1.00 10.64 N ATOM 1692 CA ARG A 114 2.352 31.947 14.244 1.00 10.06 C ATOM 1693 C ARG A 114 0.849 31.804 13.954 1.00 8.53 C ATOM 1694 O ARG A 114 0.441 31.938 12.804 1.00 7.22 O ATOM 1695 CB ARG A 114 3.150 30.832 13.566 1.00 11.76 C ATOM 1696 CG ARG A 114 4.629 30.875 13.940 1.00 14.08 C ATOM 1697 CD ARG A 114 5.377 29.737 13.344 1.00 9.05 C ATOM 1698 NE ARG A 114 5.503 29.890 11.899 1.00 11.25 N ATOM 1699 CZ ARG A 114 6.186 29.058 11.123 1.00 13.31 C ATOM 1700 NH1 ARG A 114 6.804 28.017 11.651 1.00 11.12 N ATOM 1701 NH2 ARG A 114 6.237 29.263 9.820 1.00 10.17 N ATOM 1702 HA ARG A 114 2.616 32.923 13.836 1.00 0.00 H ATOM 1703 HB2 ARG A 114 2.738 29.870 13.870 1.00 0.00 H ATOM 1704 HB3 ARG A 114 3.057 30.940 12.485 1.00 0.00 H ATOM 1705 HG2 ARG A 114 5.059 31.809 13.579 1.00 0.00 H ATOM 1706 HG3 ARG A 114 4.721 30.830 15.025 1.00 0.00 H ATOM 1707 HD2 ARG A 114 4.846 28.810 13.559 1.00 0.00 H ATOM 1708 HD3 ARG A 114 6.373 29.695 13.786 1.00 0.00 H ATOM 1709 HE ARG A 114 5.029 30.700 11.450 1.00 0.00 H ATOM 1710 HH12 ARG A 114 7.339 27.366 11.042 1.00 0.00 H ATOM 1711 HH11 ARG A 114 6.756 27.849 12.676 1.00 0.00 H ATOM 1712 HH22 ARG A 114 6.772 28.611 9.212 1.00 0.00 H ATOM 1713 HH21 ARG A 114 5.742 30.076 9.402 1.00 0.00 H ATOM 1714 H ARG A 114 2.311 31.250 16.318 1.00 0.00 H ATOM 1715 N CYS A 115 0.025 31.595 14.978 1.00 8.44 N ATOM 1716 CA CYS A 115 -1.412 31.442 14.745 1.00 8.39 C ATOM 1717 C CYS A 115 -2.251 32.501 15.454 1.00 8.08 C ATOM 1718 O CYS A 115 -3.206 33.040 14.881 1.00 11.07 O ATOM 1719 CB CYS A 115 -1.871 30.066 15.211 1.00 9.28 C ATOM 1720 SG CYS A 115 -1.012 28.735 14.353 1.00 3.28 S ATOM 1721 HA CYS A 115 -1.563 31.563 13.672 1.00 0.00 H ATOM 1722 HB2 CYS A 115 -2.941 29.971 15.025 1.00 0.00 H ATOM 1723 HB3 CYS A 115 -1.680 29.975 16.280 1.00 0.00 H ATOM 1724 H CYS A 115 0.403 31.540 15.945 1.00 0.00 H ATOM 1725 N LYS A 116 -1.925 32.740 16.720 1.00 8.51 N ATOM 1726 CA LYS A 116 -2.651 33.687 17.563 1.00 7.82 C ATOM 1727 C LYS A 116 -2.790 35.061 16.900 1.00 7.46 C ATOM 1728 O LYS A 116 -1.799 35.654 16.458 1.00 1.74 O ATOM 1729 CB LYS A 116 -1.948 33.805 18.923 1.00 7.97 C ATOM 1730 CG LYS A 116 -2.660 34.697 19.925 1.00 3.94 C ATOM 1731 CD LYS A 116 -1.893 34.782 21.241 1.00 2.75 C ATOM 1732 CE LYS A 116 -2.741 35.420 22.325 1.00 8.05 C ATOM 1733 NZ LYS A 116 -2.001 35.463 23.626 1.00 3.73 N ATOM 1734 HA LYS A 116 -3.662 33.306 17.708 1.00 0.00 H ATOM 1735 HB2 LYS A 116 -1.868 32.807 19.353 1.00 0.00 H ATOM 1736 HB3 LYS A 116 -0.949 34.209 18.756 1.00 0.00 H ATOM 1737 HG2 LYS A 116 -2.754 35.698 19.504 1.00 0.00 H ATOM 1738 HG3 LYS A 116 -3.653 34.291 20.119 1.00 0.00 H ATOM 1739 HD2 LYS A 116 -1.610 33.777 21.555 1.00 0.00 H ATOM 1740 HD3 LYS A 116 -0.995 35.381 21.092 1.00 0.00 H ATOM 1741 HE2 LYS A 116 -3.654 34.839 22.453 1.00 0.00 H ATOM 1742 HE3 LYS A 116 -2.997 36.436 22.026 1.00 0.00 H ATOM 1743 HZ1 LYS A 116 -1.758 34.495 23.917 1.00 0.00 H ATOM 1744 HZ2 LYS A 116 -1.131 36.020 23.510 1.00 0.00 H ATOM 1745 HZ3 LYS A 116 -2.602 35.904 24.351 1.00 0.00 H ATOM 1746 H LYS A 116 -1.116 32.230 17.129 1.00 0.00 H ATOM 1747 N GLY A 117 -4.033 35.535 16.804 1.00 9.13 N ATOM 1748 CA GLY A 117 -4.299 36.832 16.212 1.00 13.22 C ATOM 1749 C GLY A 117 -4.210 36.853 14.691 1.00 11.43 C ATOM 1750 O GLY A 117 -4.317 37.918 14.086 1.00 15.26 O ATOM 1751 HA3 GLY A 117 -3.574 37.544 16.607 1.00 0.00 H ATOM 1752 HA2 GLY A 117 -5.304 37.140 16.500 1.00 0.00 H ATOM 1753 H GLY A 117 -4.826 34.964 17.160 1.00 0.00 H ATOM 1754 N THR A 118 -4.024 35.704 14.057 1.00 11.65 N ATOM 1755 CA THR A 118 -3.930 35.668 12.597 1.00 13.17 C ATOM 1756 C THR A 118 -5.230 35.152 11.998 1.00 12.04 C ATOM 1757 O THR A 118 -6.148 34.770 12.727 1.00 11.52 O ATOM 1758 CB THR A 118 -2.769 34.747 12.097 1.00 12.43 C ATOM 1759 OG1 THR A 118 -3.121 33.369 12.286 1.00 11.82 O ATOM 1760 CG2 THR A 118 -1.455 35.053 12.838 1.00 9.68 C ATOM 1761 HA THR A 118 -3.731 36.690 12.275 1.00 0.00 H ATOM 1762 HB THR A 118 -2.617 34.944 11.036 1.00 0.00 H ATOM 1763 HG1 THR A 118 -3.281 33.199 13.248 1.00 0.00 H ATOM 1764 HG23 THR A 118 -1.192 36.101 12.691 1.00 0.00 H ATOM 1765 HG21 THR A 118 -1.585 34.855 13.902 1.00 0.00 H ATOM 1766 HG22 THR A 118 -0.661 34.419 12.444 1.00 0.00 H ATOM 1767 H THR A 118 -3.944 34.821 14.601 1.00 0.00 H ATOM 1768 N ASP A 119 -5.328 35.183 10.673 1.00 12.71 N ATOM 1769 CA ASP A 119 -6.509 34.662 10.008 1.00 16.96 C ATOM 1770 C ASP A 119 -6.455 33.130 10.042 1.00 16.90 C ATOM 1771 O ASP A 119 -5.916 32.505 9.124 1.00 21.05 O ATOM 1772 CB ASP A 119 -6.554 35.179 8.562 1.00 20.68 C ATOM 1773 CG ASP A 119 -7.718 34.597 7.745 1.00 22.75 C ATOM 1774 OD1 ASP A 119 -8.824 34.389 8.306 1.00 23.18 O ATOM 1775 OD2 ASP A 119 -7.516 34.374 6.523 1.00 29.83 O ATOM 1776 HA ASP A 119 -7.413 34.997 10.517 1.00 0.00 H ATOM 1777 HB2 ASP A 119 -6.655 36.264 8.585 1.00 0.00 H ATOM 1778 HB3 ASP A 119 -5.618 34.913 8.070 1.00 0.00 H ATOM 1779 H ASP A 119 -4.552 35.584 10.108 1.00 0.00 H ATOM 1780 N VAL A 120 -6.956 32.529 11.120 1.00 14.85 N ATOM 1781 CA VAL A 120 -6.929 31.068 11.260 1.00 11.55 C ATOM 1782 C VAL A 120 -8.027 30.383 10.438 1.00 13.10 C ATOM 1783 O VAL A 120 -7.942 29.190 10.134 1.00 13.22 O ATOM 1784 CB VAL A 120 -6.978 30.610 12.754 1.00 10.76 C ATOM 1785 CG1 VAL A 120 -5.728 31.096 13.500 1.00 7.71 C ATOM 1786 CG2 VAL A 120 -8.238 31.103 13.441 1.00 15.08 C ATOM 1787 HA VAL A 120 -5.969 30.748 10.854 1.00 0.00 H ATOM 1788 HB VAL A 120 -6.996 29.520 12.774 1.00 0.00 H ATOM 1789 HG11 VAL A 120 -4.839 30.678 13.028 1.00 0.00 H ATOM 1790 HG12 VAL A 120 -5.684 32.184 13.462 1.00 0.00 H ATOM 1791 HG13 VAL A 120 -5.776 30.769 14.539 1.00 0.00 H ATOM 1792 HG21 VAL A 120 -8.264 32.192 13.411 1.00 0.00 H ATOM 1793 HG22 VAL A 120 -9.111 30.703 12.926 1.00 0.00 H ATOM 1794 HG23 VAL A 120 -8.240 30.767 14.478 1.00 0.00 H ATOM 1795 H VAL A 120 -7.374 33.106 11.877 1.00 0.00 H ATOM 1796 N GLN A 121 -9.042 31.145 10.044 1.00 17.88 N ATOM 1797 CA GLN A 121 -10.132 30.592 9.245 1.00 22.25 C ATOM 1798 C GLN A 121 -9.596 29.965 7.952 1.00 15.89 C ATOM 1799 O GLN A 121 -10.133 28.956 7.474 1.00 17.93 O ATOM 1800 CB GLN A 121 -11.168 31.688 8.931 1.00 26.93 C ATOM 1801 CG GLN A 121 -12.469 31.172 8.273 1.00 32.21 C ATOM 1802 CD GLN A 121 -12.362 30.941 6.754 1.00 35.77 C ATOM 1803 OE1 GLN A 121 -11.507 31.518 6.066 1.00 33.91 O ATOM 1804 NE2 GLN A 121 -13.234 30.099 6.235 1.00 34.31 N ATOM 1805 HA GLN A 121 -10.620 29.806 9.821 1.00 0.00 H ATOM 1806 HB2 GLN A 121 -11.432 32.185 9.865 1.00 0.00 H ATOM 1807 HB3 GLN A 121 -10.707 32.409 8.255 1.00 0.00 H ATOM 1808 HG2 GLN A 121 -12.739 30.227 8.744 1.00 0.00 H ATOM 1809 HG3 GLN A 121 -13.256 31.904 8.453 1.00 0.00 H ATOM 1810 HE22 GLN A 121 -13.936 29.635 6.846 1.00 0.00 H ATOM 1811 HE21 GLN A 121 -13.220 29.899 5.215 1.00 0.00 H ATOM 1812 H GLN A 121 -9.060 32.151 10.309 1.00 0.00 H ATOM 1813 N ALA A 122 -8.531 30.560 7.413 1.00 12.52 N ATOM 1814 CA ALA A 122 -7.881 30.105 6.179 1.00 11.91 C ATOM 1815 C ALA A 122 -7.424 28.646 6.256 1.00 13.60 C ATOM 1816 O ALA A 122 -7.311 27.974 5.234 1.00 8.98 O ATOM 1817 CB ALA A 122 -6.679 30.998 5.863 1.00 12.40 C ATOM 1818 HA ALA A 122 -8.624 30.174 5.385 1.00 0.00 H ATOM 1819 HB1 ALA A 122 -7.016 32.027 5.734 1.00 0.00 H ATOM 1820 HB2 ALA A 122 -5.965 30.949 6.685 1.00 0.00 H ATOM 1821 HB3 ALA A 122 -6.203 30.653 4.945 1.00 0.00 H ATOM 1822 H ALA A 122 -8.139 31.394 7.895 1.00 0.00 H ATOM 1823 N TRP A 123 -7.168 28.155 7.467 1.00 10.15 N ATOM 1824 CA TRP A 123 -6.703 26.788 7.657 1.00 5.68 C ATOM 1825 C TRP A 123 -7.760 25.721 7.338 1.00 10.39 C ATOM 1826 O TRP A 123 -7.419 24.562 7.116 1.00 9.58 O ATOM 1827 CB TRP A 123 -6.112 26.625 9.059 1.00 9.69 C ATOM 1828 CG TRP A 123 -4.805 27.325 9.141 1.00 12.84 C ATOM 1829 CD1 TRP A 123 -4.548 28.548 9.712 1.00 7.29 C ATOM 1830 CD2 TRP A 123 -3.590 26.909 8.514 1.00 9.91 C ATOM 1831 NE1 TRP A 123 -3.251 28.915 9.463 1.00 9.65 N ATOM 1832 CE2 TRP A 123 -2.641 27.928 8.730 1.00 7.50 C ATOM 1833 CE3 TRP A 123 -3.218 25.776 7.778 1.00 5.10 C ATOM 1834 CZ2 TRP A 123 -1.339 27.852 8.235 1.00 6.74 C ATOM 1835 CZ3 TRP A 123 -1.926 25.697 7.282 1.00 11.96 C ATOM 1836 CH2 TRP A 123 -0.999 26.735 7.515 1.00 7.63 C ATOM 1837 HA TRP A 123 -5.915 26.614 6.924 1.00 0.00 H ATOM 1838 HB2 TRP A 123 -6.797 27.051 9.792 1.00 0.00 H ATOM 1839 HB3 TRP A 123 -5.969 25.565 9.270 1.00 0.00 H ATOM 1840 HE1 TRP A 123 -2.802 29.798 9.778 1.00 0.00 H ATOM 1841 HD1 TRP A 123 -5.268 29.138 10.279 1.00 0.00 H ATOM 1842 HZ2 TRP A 123 -0.619 28.650 8.414 1.00 0.00 H ATOM 1843 HH2 TRP A 123 0.011 26.647 7.114 1.00 0.00 H ATOM 1844 HZ3 TRP A 123 -1.623 24.823 6.705 1.00 0.00 H ATOM 1845 HE3 TRP A 123 -3.931 24.972 7.599 1.00 0.00 H ATOM 1846 H TRP A 123 -7.304 28.764 8.299 1.00 0.00 H ATOM 1847 N ILE A 124 -9.037 26.081 7.316 1.00 5.78 N ATOM 1848 CA ILE A 124 -10.044 25.078 6.981 1.00 10.67 C ATOM 1849 C ILE A 124 -10.737 25.392 5.642 1.00 12.08 C ATOM 1850 O ILE A 124 -11.774 24.799 5.309 1.00 11.44 O ATOM 1851 CB ILE A 124 -11.074 24.876 8.113 1.00 10.93 C ATOM 1852 CG1 ILE A 124 -11.802 26.183 8.426 1.00 10.92 C ATOM 1853 CG2 ILE A 124 -10.378 24.314 9.360 1.00 12.95 C ATOM 1854 CD1 ILE A 124 -13.061 25.979 9.265 1.00 14.42 C ATOM 1855 HA ILE A 124 -9.513 24.133 6.865 1.00 0.00 H ATOM 1856 HB ILE A 124 -11.823 24.156 7.783 1.00 0.00 H ATOM 1857 HG12 ILE A 124 -11.122 26.837 8.972 1.00 0.00 H ATOM 1858 HG13 ILE A 124 -12.084 26.658 7.486 1.00 0.00 H ATOM 1859 HD11 ILE A 124 -13.755 25.334 8.726 1.00 0.00 H ATOM 1860 HD12 ILE A 124 -12.793 25.514 10.213 1.00 0.00 H ATOM 1861 HD13 ILE A 124 -13.531 26.944 9.453 1.00 0.00 H ATOM 1862 HG21 ILE A 124 -9.918 23.356 9.117 1.00 0.00 H ATOM 1863 HG22 ILE A 124 -9.611 25.013 9.692 1.00 0.00 H ATOM 1864 HG23 ILE A 124 -11.113 24.175 10.153 1.00 0.00 H ATOM 1865 H ILE A 124 -9.315 27.059 7.533 1.00 0.00 H ATOM 1866 N ARG A 125 -10.131 26.290 4.867 1.00 9.04 N ATOM 1867 CA ARG A 125 -10.647 26.674 3.564 1.00 14.41 C ATOM 1868 C ARG A 125 -10.749 25.443 2.669 1.00 15.75 C ATOM 1869 O ARG A 125 -9.858 24.585 2.684 1.00 17.75 O ATOM 1870 CB ARG A 125 -9.719 27.712 2.899 1.00 16.84 C ATOM 1871 CG ARG A 125 -8.388 27.138 2.378 1.00 18.83 C ATOM 1872 CD ARG A 125 -7.379 28.201 1.943 1.00 17.96 C ATOM 1873 NE ARG A 125 -6.163 27.600 1.379 1.00 19.37 N ATOM 1874 CZ ARG A 125 -5.149 27.114 2.099 1.00 22.40 C ATOM 1875 NH1 ARG A 125 -5.178 27.153 3.430 1.00 22.63 N ATOM 1876 NH2 ARG A 125 -4.110 26.555 1.488 1.00 20.72 N ATOM 1877 HA ARG A 125 -11.634 27.116 3.698 1.00 0.00 H ATOM 1878 HB2 ARG A 125 -10.251 28.155 2.058 1.00 0.00 H ATOM 1879 HB3 ARG A 125 -9.492 28.486 3.632 1.00 0.00 H ATOM 1880 HG2 ARG A 125 -7.938 26.542 3.172 1.00 0.00 H ATOM 1881 HG3 ARG A 125 -8.602 26.498 1.522 1.00 0.00 H ATOM 1882 HD2 ARG A 125 -7.106 28.804 2.809 1.00 0.00 H ATOM 1883 HD3 ARG A 125 -7.840 28.838 1.189 1.00 0.00 H ATOM 1884 HE ARG A 125 -6.086 27.549 0.343 1.00 0.00 H ATOM 1885 HH12 ARG A 125 -4.382 26.771 3.979 1.00 0.00 H ATOM 1886 HH11 ARG A 125 -5.997 27.565 3.920 1.00 0.00 H ATOM 1887 HH22 ARG A 125 -3.320 26.176 2.048 1.00 0.00 H ATOM 1888 HH21 ARG A 125 -4.087 26.496 0.450 1.00 0.00 H ATOM 1889 H ARG A 125 -9.254 26.734 5.208 1.00 0.00 H ATOM 1890 N GLY A 126 -11.881 25.309 1.983 1.00 18.78 N ATOM 1891 CA GLY A 126 -12.095 24.208 1.062 1.00 13.66 C ATOM 1892 C GLY A 126 -12.464 22.897 1.720 1.00 13.93 C ATOM 1893 O GLY A 126 -12.853 21.958 1.016 1.00 18.00 O ATOM 1894 HA3 GLY A 126 -11.177 24.057 0.494 1.00 0.00 H ATOM 1895 HA2 GLY A 126 -12.900 24.485 0.382 1.00 0.00 H ATOM 1896 H GLY A 126 -12.635 26.014 2.111 1.00 0.00 H ATOM 1897 N CYS A 127 -12.405 22.811 3.043 1.00 17.13 N ATOM 1898 CA CYS A 127 -12.710 21.538 3.702 1.00 15.28 C ATOM 1899 C CYS A 127 -14.202 21.279 3.834 1.00 17.54 C ATOM 1900 O CYS A 127 -14.959 22.163 4.209 1.00 13.02 O ATOM 1901 CB CYS A 127 -12.065 21.464 5.090 1.00 14.36 C ATOM 1902 SG CYS A 127 -10.275 21.772 5.113 1.00 10.72 S ATOM 1903 HA CYS A 127 -12.291 20.766 3.057 1.00 0.00 H ATOM 1904 HB2 CYS A 127 -12.244 20.468 5.495 1.00 0.00 H ATOM 1905 HB3 CYS A 127 -12.546 22.206 5.728 1.00 0.00 H ATOM 1906 H CYS A 127 -12.144 23.643 3.609 1.00 0.00 H ATOM 1907 N ARG A 128 -14.615 20.069 3.476 1.00 21.18 N ATOM 1908 CA ARG A 128 -16.003 19.653 3.613 1.00 24.29 C ATOM 1909 C ARG A 128 -16.183 19.154 5.035 1.00 28.29 C ATOM 1910 O ARG A 128 -15.781 18.028 5.385 1.00 22.10 O ATOM 1911 CB ARG A 128 -16.341 18.546 2.605 1.00 26.77 C ATOM 1912 CG ARG A 128 -17.804 18.107 2.628 1.00 32.69 C ATOM 1913 CD ARG A 128 -18.727 19.245 2.254 1.00 36.99 C ATOM 1914 NE ARG A 128 -20.139 18.919 2.457 1.00 42.50 N ATOM 1915 CZ ARG A 128 -20.869 19.308 3.509 1.00 45.67 C ATOM 1916 NH1 ARG A 128 -20.331 20.045 4.472 1.00 43.66 N ATOM 1917 NH2 ARG A 128 -22.157 18.981 3.563 1.00 45.17 N ATOM 1918 HA ARG A 128 -16.674 20.487 3.410 1.00 0.00 H ATOM 1919 HB2 ARG A 128 -16.109 18.911 1.605 1.00 0.00 H ATOM 1920 HB3 ARG A 128 -15.720 17.679 2.827 1.00 0.00 H ATOM 1921 HG2 ARG A 128 -17.941 17.291 1.919 1.00 0.00 H ATOM 1922 HG3 ARG A 128 -18.055 17.761 3.631 1.00 0.00 H ATOM 1923 HD2 ARG A 128 -18.573 19.488 1.203 1.00 0.00 H ATOM 1924 HD3 ARG A 128 -18.478 20.112 2.866 1.00 0.00 H ATOM 1925 HE ARG A 128 -20.610 18.343 1.730 1.00 0.00 H ATOM 1926 HH12 ARG A 128 -20.909 20.341 5.285 1.00 0.00 H ATOM 1927 HH11 ARG A 128 -19.332 20.327 4.414 1.00 0.00 H ATOM 1928 HH22 ARG A 128 -22.735 19.277 4.375 1.00 0.00 H ATOM 1929 HH21 ARG A 128 -22.586 18.429 2.793 1.00 0.00 H ATOM 1930 H ARG A 128 -13.924 19.397 3.085 1.00 0.00 H ATOM 1931 N LEU A 129 -16.637 20.062 5.887 1.00 27.26 N ATOM 1932 CA LEU A 129 -16.797 19.750 7.295 1.00 32.03 C ATOM 1933 C LEU A 129 -18.201 20.031 7.769 1.00 31.79 C ATOM 1934 O LEU A 129 -19.102 20.340 6.947 1.00 37.60 O ATOM 1935 CB LEU A 129 -15.815 20.591 8.130 1.00 27.47 C ATOM 1936 CG LEU A 129 -14.299 20.397 8.018 1.00 26.05 C ATOM 1937 CD1 LEU A 129 -13.623 21.702 8.331 1.00 25.19 C ATOM 1938 CD2 LEU A 129 -13.836 19.321 8.967 1.00 24.86 C ATOM 1939 HA LEU A 129 -16.592 18.687 7.422 1.00 0.00 H ATOM 1940 OXT LEU A 129 -18.322 20.057 8.997 1.00 32.93 O ATOM 1941 HB2 LEU A 129 -16.011 21.633 7.879 1.00 0.00 H ATOM 1942 HB3 LEU A 129 -16.071 20.416 9.175 1.00 0.00 H ATOM 1943 HG LEU A 129 -14.041 20.084 7.006 1.00 0.00 H ATOM 1944 HD21 LEU A 129 -14.083 19.609 9.989 1.00 0.00 H ATOM 1945 HD22 LEU A 129 -14.334 18.383 8.721 1.00 0.00 H ATOM 1946 HD23 LEU A 129 -12.757 19.196 8.874 1.00 0.00 H ATOM 1947 HD11 LEU A 129 -13.954 22.460 7.621 1.00 0.00 H ATOM 1948 HD12 LEU A 129 -13.884 22.011 9.343 1.00 0.00 H ATOM 1949 HD13 LEU A 129 -12.543 21.578 8.255 1.00 0.00 H ATOM 1950 H LEU A 129 -16.882 21.012 5.541 1.00 0.00 H TER 1951 LEU A 129 HETATM 1952 O HOH 1 13.612 13.612 19.146 1.00 18.52 O HETATM 1953 O HOH 2 -16.829 16.829 9.573 1.00 25.84 O HETATM 1954 O HOH 3 -8.141 30.190 27.077 1.00 6.60 O HETATM 1955 O HOH 4 7.321 26.782 8.636 1.00 2.51 O HETATM 1956 O HOH 5 4.531 9.917 9.897 1.00 14.21 O HETATM 1957 O HOH 6 -11.807 28.101 12.322 1.00 11.01 O HETATM 1958 O HOH 7 -2.436 10.238 19.340 1.00 15.17 O HETATM 1959 O HOH 8 8.341 21.323 19.278 1.00 21.84 O HETATM 1960 O HOH 9 0.661 15.459 20.076 1.00 8.30 O HETATM 1961 O HOH 10 13.000 13.941 26.797 1.00 6.42 O HETATM 1962 O HOH 11 9.267 4.958 31.155 1.00 10.31 O HETATM 1963 O HOH 12 10.553 10.976 32.522 1.00 11.01 O HETATM 1964 O HOH 13 -9.450 32.800 16.400 1.00 25.63 O HETATM 1965 O HOH 14 7.303 16.706 10.813 1.00 8.64 O HETATM 1966 O HOH 15 10.371 12.316 15.268 1.00 6.00 O HETATM 1967 O HOH 16 -2.815 19.229 2.913 1.00 14.08 O HETATM 1968 O HOH 17 0.319 17.343 4.884 1.00 12.16 O HETATM 1969 O HOH 18 -2.749 31.601 10.131 1.00 12.14 O HETATM 1970 O HOH 19 1.595 27.194 29.518 1.00 23.38 O HETATM 1971 O HOH 20 -6.256 32.859 17.300 1.00 10.90 O HETATM 1972 O HOH 21 -4.613 7.644 19.972 1.00 9.47 O HETATM 1973 O HOH 22 -15.404 19.627 17.001 1.00 23.59 O HETATM 1974 O HOH 23 -0.003 13.015 17.462 1.00 22.89 O HETATM 1975 O HOH 24 -1.647 11.133 16.898 1.00 21.96 O HETATM 1976 O HOH 25 17.791 9.046 25.431 1.00 19.63 O HETATM 1977 O HOH 26 8.488 11.956 31.131 1.00 8.97 O HETATM 1978 O HOH 27 -6.452 18.985 2.409 1.00 11.97 O HETATM 1979 O HOH 28 0.041 35.075 9.578 1.00 14.12 O HETATM 1980 O HOH 29 -2.258 6.285 20.868 1.00 23.34 O HETATM 1981 O HOH 30 -15.561 23.632 25.155 1.00 25.90 O HETATM 1982 O HOH 31 -4.126 11.314 26.200 1.00 16.30 O HETATM 1983 O HOH 32 -9.357 15.182 27.961 1.00 17.63 O HETATM 1984 O HOH 33 3.087 6.358 13.924 1.00 22.03 O HETATM 1985 O HOH 34 7.272 24.300 18.214 1.00 29.31 O HETATM 1986 O HOH 35 -6.957 34.772 15.367 1.00 16.03 O HETATM 1987 O HOH 36 -6.597 16.602 3.357 1.00 11.62 O HETATM 1988 O HOH 37 0.409 24.675 29.947 1.00 13.58 O HETATM 1989 O HOH 38 -12.822 18.053 3.167 1.00 17.95 O HETATM 1990 O HOH 39 -12.695 18.179 5.860 1.00 35.76 O HETATM 1991 O HOH 40 -0.324 22.550 4.425 1.00 20.23 O HETATM 1992 O HOH 41 5.132 23.301 9.348 1.00 25.25 O HETATM 1993 O HOH 42 0.075 4.201 14.638 1.00 23.09 O HETATM 1994 O HOH 43 1.360 9.455 5.959 1.00 15.62 O HETATM 1995 O HOH 44 -13.905 29.062 3.936 1.00 29.43 O HETATM 1996 O HOH 45 -15.872 15.435 11.621 1.00 30.79 O HETATM 1997 O HOH 46 2.360 6.396 11.254 1.00 33.16 O HETATM 1998 O HOH 47 -2.425 25.656 28.900 1.00 22.58 O HETATM 1999 O HOH 48 -7.555 9.792 14.765 1.00 26.11 O HETATM 2000 O HOH 49 6.490 10.850 34.548 1.00 27.64 O HETATM 2001 O HOH 50 -9.601 34.082 11.603 1.00 38.27 O HETATM 2002 O HOH 51 0.201 11.075 36.585 1.00 38.04 O HETATM 2003 O HOH 52 3.189 5.273 18.672 1.00 14.75 O HETATM 2004 O HOH 53 9.222 21.661 29.235 1.00 12.15 O HETATM 2005 O HOH 54 -15.571 9.237 17.033 1.00 32.48 O HETATM 2006 O HOH 55 4.677 27.224 25.810 1.00 16.79 O HETATM 2007 O HOH 56 2.856 18.235 5.762 1.00 14.73 O HETATM 2008 O HOH 57 -14.386 24.681 5.586 1.00 11.86 O HETATM 2009 O HOH 58 1.654 6.268 31.661 1.00 16.84 O HETATM 2010 O HOH 59 7.566 23.765 15.563 1.00 20.75 O HETATM 2011 O HOH 60 4.027 5.677 30.673 1.00 28.74 O HETATM 2012 O HOH 61 -8.609 27.927 28.567 1.00 11.81 O HETATM 2013 O HOH 62 -5.490 7.928 11.359 1.00 28.55 O HETATM 2014 O HOH 63 -11.148 18.818 0.918 1.00 29.33 O HETATM 2015 O HOH 64 4.864 24.533 21.835 1.00 18.65 O HETATM 2016 O HOH 65 7.760 16.778 39.650 1.00 31.35 O HETATM 2017 O HOH 66 -0.929 38.319 15.782 1.00 28.94 O HETATM 2018 O HOH 67 -18.220 22.341 5.004 1.00 27.50 O HETATM 2019 O HOH 68 10.474 5.199 33.497 1.00 20.60 O HETATM 2020 O HOH 69 -1.043 4.252 25.971 1.00 45.49 O HETATM 2021 O HOH 70 0.184 37.508 10.557 1.00 20.81 O HETATM 2022 O HOH 71 18.917 11.853 27.608 1.00 42.54 O HETATM 2023 O HOH 72 0.146 37.260 22.623 1.00 23.28 O HETATM 2024 O HOH 73 16.193 6.601 30.183 1.00 32.49 O HETATM 2025 O HOH 74 -5.048 26.117 30.013 1.00 14.10 O HETATM 2026 O HOH 75 8.456 22.610 24.832 1.00 19.83 O HETATM 2027 O HOH 76 5.064 22.126 22.552 1.00 20.36 O HETATM 2028 O HOH 77 -13.412 17.281 27.580 1.00 39.95 O HETATM 2029 O HOH 78 14.262 23.902 23.724 1.00 48.30 O HETATM 2030 O HOH 79 2.371 3.690 22.505 1.00 28.52 O HETATM 2031 O HOH 80 6.556 23.860 11.492 1.00 14.19 O HETATM 2032 O HOH 81 4.045 31.931 10.287 1.00 8.66 O HETATM 2033 O HOH 82 13.033 6.500 33.982 1.00 15.87 O HETATM 2034 O HOH 83 4.379 8.560 34.702 1.00 32.95 O HETATM 2035 O HOH 84 -0.240 31.244 8.755 1.00 21.84 O HETATM 2036 O HOH 85 -10.388 31.308 26.685 1.00 18.37 O HETATM 2037 O HOH 86 -0.428 19.734 3.864 1.00 22.78 O HETATM 2038 O HOH 87 1.526 36.225 19.694 1.00 25.26 O HETATM 2039 O HOH 88 -3.347 28.821 5.431 1.00 27.63 O HETATM 2040 O HOH 89 -5.411 8.804 26.153 1.00 16.71 O HETATM 2041 O HOH 90 7.191 26.841 14.360 1.00 15.57 O HETATM 2042 O HOH 91 1.492 32.778 10.354 1.00 17.83 O HETATM 2043 O HOH 92 5.112 34.360 22.223 1.00 19.03 O HETATM 2044 O HOH 93 -0.855 35.594 26.501 1.00 28.88 O HETATM 2045 O HOH 94 -1.804 22.653 34.295 1.00 22.79 O HETATM 2046 O HOH 95 -3.269 37.176 25.635 1.00 13.59 O HETATM 2047 O HOH 96 5.181 17.047 4.827 1.00 18.58 O HETATM 2048 O HOH 97 -8.366 19.578 0.412 1.00 32.71 O HETATM 2049 O HOH 98 -2.135 26.809 32.252 1.00 24.48 O HETATM 2050 O HOH 99 -14.645 26.510 3.557 1.00 38.29 O HETATM 2051 O HOH 100 -14.323 26.454 12.197 1.00 23.66 O HETATM 2052 O HOH 101 -2.718 5.444 23.397 1.00 37.62 O HETATM 2053 O HOH 102 12.661 19.000 32.127 1.00 20.93 O HETATM 2054 O HOH 103 7.727 29.346 25.067 1.00 35.88 O HETATM 2055 O HOH 104 -20.478 20.004 -2.729 1.00 25.42 O HETATM 2056 O HOH 105 -2.675 40.270 14.396 1.00 43.55 O HETATM 2057 O HOH 106 -4.839 22.642 32.430 1.00 39.20 O HETATM 2058 O HOH 107 -7.846 10.183 8.285 1.00 33.32 O HETATM 2059 O HOH 108 -11.187 27.764 29.352 1.00 21.18 O HETATM 2060 O HOH 109 -5.072 11.936 28.549 1.00 19.15 O HETATM 2061 O HOH 110 -3.042 22.602 2.345 1.00 24.25 O HETATM 2062 O HOH 111 -5.478 14.212 2.482 1.00 27.67 O HETATM 2063 O HOH 112 2.187 21.753 1.933 1.00 31.11 O HETATM 2064 O HOH 113 13.147 23.654 27.564 1.00 22.87 O HETATM 2065 O HOH 114 -8.918 10.402 12.686 1.00 29.28 O HETATM 2066 O HOH 115 -7.958 37.421 15.821 1.00 26.80 O HETATM 2067 O HOH 116 4.255 36.479 19.440 1.00 18.07 O HETATM 2068 O HOH 117 -19.702 16.268 -3.125 1.00 33.74 O HETATM 2069 O HOH 118 0.527 13.140 3.735 1.00 46.55 O HETATM 2070 O HOH 119 -8.421 23.414 -0.753 1.00 37.10 O HETATM 2071 O HOH 120 14.805 16.533 18.551 1.00 27.71 O HETATM 2072 O HOH 121 -5.101 12.451 33.193 1.00 34.38 O HETATM 2073 O HOH 122 -17.753 18.308 -1.641 1.00 45.71 O HETATM 2074 O HOH 123 -17.285 20.363 18.867 1.00 27.44 O HETATM 2075 O HOH 124 -10.997 36.223 15.032 1.00 28.04 O HETATM 2076 O HOH 125 11.642 7.787 35.941 1.00 44.99 O HETATM 2077 O HOH 126 -15.060 16.740 24.756 1.00 38.59 O HETATM 2078 O HOH 127 -10.397 7.113 16.222 1.00 36.64 O HETATM 2079 O HOH 128 14.869 4.682 34.883 1.00 38.33 O HETATM 2080 O HOH 129 -6.327 29.253 36.062 1.00 39.68 O HETATM 2081 O HOH 130 -2.375 38.464 10.548 1.00 36.28 O HETATM 2082 O HOH 131 5.060 5.715 34.055 1.00 43.63 O HETATM 2083 O HOH 132 -0.921 13.219 37.983 1.00 38.66 O HETATM 2084 O HOH 133 -16.354 27.891 10.795 1.00 40.80 O HETATM 2085 O HOH 134 7.296 21.500 12.514 1.00 48.59 O HETATM 2086 O HOH 135 -2.475 31.314 33.365 1.00 40.05 O HETATM 2087 O HOH 136 -4.329 31.434 35.952 1.00 36.02 O HETATM 2088 O HOH 137 -5.436 26.267 -1.488 1.00 45.57 O HETATM 2089 O HOH 138 -11.604 25.543 30.791 1.00 43.62 O HETATM 2090 O HOH 139 -4.802 8.740 29.989 1.00 42.92 O HETATM 2091 O HOH 140 -4.285 23.346 -0.267 1.00 36.82 O HETATM 2092 O HOH 141 1.906 14.634 38.343 1.00 34.23 O HETATM 2093 O HOH 142 -12.949 27.561 1.099 1.00 37.19 O HETATM 2094 O HOH 143 5.334 13.774 39.149 1.00 38.87 O HETATM 2095 O HOH 144 -17.169 14.925 25.899 1.00 51.19 O HETATM 2096 O HOH 145 5.384 14.468 32.021 1.00 37.58 O HETATM 2097 O HOH 146 -2.007 4.756 28.871 1.00 41.16 O HETATM 2098 O HOH 147 -1.967 15.454 39.532 1.00 36.94 O HETATM 2099 O HOH 148 -2.313 11.067 5.362 1.00 34.36 O HETATM 2100 O HOH 149 7.747 26.409 26.369 1.00 30.81 O HETATM 2101 O HOH 150 0.536 4.286 20.325 1.00 47.85 O HETATM 2102 O HOH 151 10.031 23.102 27.146 1.00 28.49 O HETATM 2103 O HOH 152 3.637 28.627 27.919 1.00 38.13 O HETATM 2104 O HOH 153 2.786 35.356 24.003 1.00 48.58 O HETATM 2105 O HOH 154 -3.526 14.155 36.016 1.00 27.11 O HETATM 2106 O HOH 155 -2.488 35.253 8.351 1.00 43.14 O HETATM 2107 O HOH 156 -4.564 5.948 30.205 1.00 36.75 O HETATM 2108 O HOH 157 -3.533 20.356 34.546 1.00 45.38 O HETATM 2109 O HOH 158 10.310 22.132 15.650 1.00 31.35 O HETATM 2110 O HOH 159 -11.264 7.327 19.579 1.00 32.80 O HETATM 2111 O HOH 160 3.253 20.547 4.375 1.00 29.49 O HETATM 2112 O HOH 161 -19.229 27.903 10.583 1.00 33.08 O HETATM 2113 O HOH 162 -11.811 29.106 33.423 1.00 30.92 O HETATM 2114 O HOH 163 -10.715 26.808 37.215 1.00 40.84 O HETATM 2115 O HOH 164 0.466 15.698 2.546 1.00 39.35 O HETATM 2116 O HOH 165 1.408 3.361 12.015 1.00 46.30 O HETATM 2117 O HOH 166 -14.509 28.985 18.664 1.00 38.27 O HETATM 2118 O HOH 167 1.464 3.599 17.029 1.00 49.81 O HETATM 2119 O HOH 168 9.303 7.536 34.141 1.00 38.64 O HETATM 2120 O HOH 169 -7.531 9.016 24.649 1.00 36.11 O HETATM 2121 O HOH 170 -11.607 14.119 26.950 1.00 39.24 O HETATM 2122 O HOH 171 -16.838 28.728 20.061 1.00 34.93 O HETATM 2123 O HOH 172 17.666 11.470 31.140 1.00 40.90 O HETATM 2124 O HOH 173 5.785 19.936 38.574 1.00 24.27 O HETATM 2125 O HOH 174 11.358 23.200 18.133 1.00 38.68 O HETATM 2126 O HOH 175 2.634 7.048 6.617 1.00 32.15 O HETATM 2127 O HOH 176 10.588 22.647 36.661 1.00 35.73 O HETATM 2128 O HOH 177 2.074 8.214 36.414 1.00 38.85 O HETATM 2129 O HOH 178 -4.774 6.146 25.003 1.00 38.83 O HETATM 2130 O HOH 179 13.763 22.123 36.884 1.00 40.97 O HETATM 2131 O HOH 180 14.787 22.757 39.309 1.00 44.43 O HETATM 2132 O HOH 181 16.510 22.139 21.902 1.00 35.08 O HETATM 2133 O HOH 182 18.550 20.638 23.496 1.00 36.11 O HETATM 2134 O HOH 183 -16.008 7.509 19.908 1.00 37.39 O HETATM 2135 O HOH 184 1.229 28.749 32.234 1.00 32.32 O HETATM 2136 C1 MOL A 185 0.503 25.586 35.266 1.00 0.19 C HETATM 2137 C2 MOL A 185 -0.020 25.010 36.592 1.00 0.12 C HETATM 2138 C3 MOL A 185 -1.407 25.588 36.875 1.00 0.11 C HETATM 2139 C4 MOL A 185 -1.379 27.116 36.846 1.00 0.11 C HETATM 2140 C5 MOL A 185 -0.800 27.587 35.519 1.00 0.11 C HETATM 2141 C6 MOL A 185 -0.671 29.102 35.433 1.00 0.07 C HETATM 2142 O6 MOL A 185 -0.630 29.530 34.078 1.00 -0.39 O HETATM 2143 H14 MOL A 185 0.117 29.134 33.644 1.00 0.21 H HETATM 2144 H6 MOL A 185 0.255 29.414 35.938 1.00 0.06 H HETATM 2145 H7 MOL A 185 -1.535 29.566 35.932 1.00 0.06 H HETATM 2146 O5 MOL A 185 0.518 27.023 35.322 1.00 -0.34 O HETATM 2147 H5 MOL A 185 -1.465 27.244 34.713 1.00 0.06 H HETATM 2148 O4 MOL A 185 -2.704 27.607 36.986 1.00 -0.39 O HETATM 2149 H13 MOL A 185 -3.064 27.312 37.814 1.00 0.21 H HETATM 2150 H4 MOL A 185 -0.757 27.490 37.673 1.00 0.06 H HETATM 2151 O3 MOL A 185 -1.881 25.137 38.136 1.00 -0.39 O HETATM 2152 H12 MOL A 185 -2.759 25.470 38.281 1.00 0.21 H HETATM 2153 H3 MOL A 185 -2.097 25.236 36.094 1.00 0.06 H HETATM 2154 N2 MOL A 185 -0.131 23.561 36.526 1.00 -0.28 N HETATM 2155 C7 MOL A 185 0.544 22.787 37.373 1.00 0.17 C HETATM 2156 C8 MOL A 185 0.340 21.290 37.249 1.00 0.03 C HETATM 2157 H8 MOL A 185 0.952 20.773 38.003 1.00 0.05 H HETATM 2158 H9 MOL A 185 0.641 20.961 36.244 1.00 0.05 H HETATM 2159 H10 MOL A 185 -0.721 21.050 37.411 1.00 0.05 H HETATM 2160 O7 MOL A 185 1.354 23.228 38.190 1.00 -0.40 O HETATM 2161 H11 MOL A 185 -0.721 23.142 35.836 1.00 0.19 H HETATM 2162 H2 MOL A 185 0.670 25.286 37.403 1.00 0.06 H HETATM 2163 O4 MOL A 185 1.805 25.158 35.021 1.00 -0.34 O HETATM 2164 C4 MOL A 185 2.276 25.329 33.664 1.00 0.12 C HETATM 2165 C3 MOL A 185 3.571 26.141 33.618 1.00 0.11 C HETATM 2166 C2 MOL A 185 4.038 26.245 32.173 1.00 0.12 C HETATM 2167 C1 MOL A 185 4.108 24.880 31.466 1.00 0.19 C HETATM 2168 O5 MOL A 185 2.892 24.138 31.650 1.00 -0.34 O HETATM 2169 C5 MOL A 185 2.557 23.968 33.042 1.00 0.11 C HETATM 2170 C6 MOL A 185 1.387 22.995 33.130 1.00 0.07 C HETATM 2171 O6 MOL A 185 0.204 23.554 32.581 1.00 -0.39 O HETATM 2172 H27 MOL A 185 0.350 23.767 31.667 1.00 0.21 H HETATM 2173 H20 MOL A 185 1.208 22.746 34.186 1.00 0.06 H HETATM 2174 H21 MOL A 185 1.641 22.080 32.575 1.00 0.06 H HETATM 2175 H19 MOL A 185 3.415 23.524 33.569 1.00 0.06 H HETATM 2176 O4 MOL A 185 4.238 25.117 30.108 1.00 -0.34 O HETATM 2177 C4 MOL A 185 4.673 24.051 29.256 1.00 0.12 C HETATM 2178 C3 MOL A 185 3.621 23.825 28.164 1.00 0.11 C HETATM 2179 C2 MOL A 185 4.156 22.903 27.068 1.00 0.12 C HETATM 2180 C1 MOL A 185 5.509 23.415 26.582 1.00 0.18 C HETATM 2181 O1 MOL A 185 6.035 22.534 25.651 1.00 -0.37 O HETATM 2182 H39 MOL A 185 6.883 22.849 25.362 1.00 0.21 H HETATM 2183 O5 MOL A 185 6.418 23.475 27.678 1.00 -0.34 O HETATM 2184 C5 MOL A 185 6.012 24.450 28.650 1.00 0.11 C HETATM 2185 C6 MOL A 185 7.145 24.588 29.668 1.00 0.07 C HETATM 2186 O6 MOL A 185 7.324 23.391 30.418 1.00 -0.39 O HETATM 2187 H41 MOL A 185 7.536 22.677 29.828 1.00 0.21 H HETATM 2188 H33 MOL A 185 6.906 25.410 30.359 1.00 0.06 H HETATM 2189 H34 MOL A 185 8.079 24.818 29.134 1.00 0.06 H HETATM 2190 H32 MOL A 185 5.878 25.421 28.151 1.00 0.06 H HETATM 2191 H28 MOL A 185 5.389 24.412 26.134 1.00 0.09 H HETATM 2192 N2 MOL A 185 3.236 22.861 25.942 1.00 -0.28 N HETATM 2193 C7 MOL A 185 2.739 21.709 25.505 1.00 0.17 C HETATM 2194 C8 MOL A 185 1.814 21.780 24.313 1.00 0.03 C HETATM 2195 H35 MOL A 185 1.474 20.767 24.052 1.00 0.05 H HETATM 2196 H36 MOL A 185 2.350 22.218 23.458 1.00 0.05 H HETATM 2197 H37 MOL A 185 0.944 22.407 24.561 1.00 0.05 H HETATM 2198 O7 MOL A 185 2.958 20.622 26.056 1.00 -0.40 O HETATM 2199 H38 MOL A 185 2.973 23.713 25.489 1.00 0.19 H HETATM 2200 H29 MOL A 185 4.274 21.889 27.477 1.00 0.06 H HETATM 2201 O3 MOL A 185 2.459 23.245 28.742 1.00 -0.39 O HETATM 2202 H40 MOL A 185 2.110 23.831 29.404 1.00 0.21 H HETATM 2203 H30 MOL A 185 3.358 24.795 27.717 1.00 0.06 H HETATM 2204 H31 MOL A 185 4.795 23.128 29.842 1.00 0.07 H HETATM 2205 H15 MOL A 185 4.964 24.303 31.846 1.00 0.09 H HETATM 2206 N2 MOL A 185 5.341 26.887 32.148 1.00 -0.28 N HETATM 2207 C7 MOL A 185 5.592 27.874 31.291 1.00 0.17 C HETATM 2208 C8 MOL A 185 6.976 28.505 31.324 1.00 0.03 C HETATM 2209 H22 MOL A 185 7.035 29.300 30.566 1.00 0.05 H HETATM 2210 H23 MOL A 185 7.734 27.737 31.110 1.00 0.05 H HETATM 2211 H24 MOL A 185 7.160 28.934 32.320 1.00 0.05 H HETATM 2212 O7 MOL A 185 4.763 28.275 30.473 1.00 -0.40 O HETATM 2213 H25 MOL A 185 6.055 26.585 32.780 1.00 0.19 H HETATM 2214 H16 MOL A 185 3.322 26.875 31.625 1.00 0.06 H HETATM 2215 O3 MOL A 185 3.363 27.455 34.117 1.00 -0.39 O HETATM 2216 H26 MOL A 185 2.708 27.894 33.587 1.00 0.21 H HETATM 2217 H17 MOL A 185 4.339 25.637 34.223 1.00 0.06 H HETATM 2218 H18 MOL A 185 1.501 25.849 33.081 1.00 0.07 H HETATM 2219 H1 MOL A 185 -0.153 25.255 34.447 1.00 0.09 H CONECT 1 2 22 23 24 CONECT 22 1 CONECT 23 1 CONECT 24 1 CONECT 97 96 1902 CONECT 466 465 1720 CONECT 988 987 1215 CONECT 1158 1157 1402 CONECT 1215 988 1214 CONECT 1402 1158 1401 CONECT 1508 1509 1514 1515 1516 CONECT 1514 1508 CONECT 1515 1508 CONECT 1516 1508 CONECT 1720 466 1719 CONECT 1902 97 1901 CONECT 2136 2137 2146 2163 2219 CONECT 2137 2136 2138 2154 2162 CONECT 2138 2137 2139 2151 2153 CONECT 2139 2138 2140 2148 2150 CONECT 2140 2139 2141 2146 2147 CONECT 2141 2140 2142 2144 2145 CONECT 2142 2141 2143 CONECT 2143 2142 CONECT 2144 2141 CONECT 2145 2141 CONECT 2146 2136 2140 CONECT 2147 2140 CONECT 2148 2139 2149 CONECT 2149 2148 CONECT 2150 2139 CONECT 2151 2138 2152 CONECT 2152 2151 CONECT 2153 2138 CONECT 2154 2137 2155 2161 CONECT 2155 2154 2156 2160 CONECT 2156 2155 2157 2158 2159 CONECT 2157 2156 CONECT 2158 2156 CONECT 2159 2156 CONECT 2160 2155 CONECT 2161 2154 CONECT 2162 2137 CONECT 2163 2136 2164 CONECT 2164 2163 2165 2169 2218 CONECT 2165 2164 2166 2215 2217 CONECT 2166 2165 2167 2206 2214 CONECT 2167 2166 2168 2176 2205 CONECT 2168 2167 2169 CONECT 2169 2164 2168 2170 2175 CONECT 2170 2169 2171 2173 2174 CONECT 2171 2170 2172 CONECT 2172 2171 CONECT 2173 2170 CONECT 2174 2170 CONECT 2175 2169 CONECT 2176 2167 2177 CONECT 2177 2176 2178 2184 2204 CONECT 2178 2177 2179 2201 2203 CONECT 2179 2178 2180 2192 2200 CONECT 2180 2179 2181 2183 2191 CONECT 2181 2180 2182 CONECT 2182 2181 CONECT 2183 2180 2184 CONECT 2184 2177 2183 2185 2190 CONECT 2185 2184 2186 2188 2189 CONECT 2186 2185 2187 CONECT 2187 2186 CONECT 2188 2185 CONECT 2189 2185 CONECT 2190 2184 CONECT 2191 2180 CONECT 2192 2179 2193 2199 CONECT 2193 2192 2194 2198 CONECT 2194 2193 2195 2196 2197 CONECT 2195 2194 CONECT 2196 2194 CONECT 2197 2194 CONECT 2198 2193 CONECT 2199 2192 CONECT 2200 2179 CONECT 2201 2178 2202 CONECT 2202 2201 CONECT 2203 2178 CONECT 2204 2177 CONECT 2205 2167 CONECT 2206 2166 2207 2213 CONECT 2207 2206 2208 2212 CONECT 2208 2207 2209 2210 2211 CONECT 2209 2208 CONECT 2210 2208 CONECT 2211 2208 CONECT 2212 2207 CONECT 2213 2206 CONECT 2214 2166 CONECT 2215 2165 2216 CONECT 2216 2215 CONECT 2217 2165 CONECT 2218 2164 CONECT 2219 2136 MASTER 0 0 0 0 0 0 0 0 2217 2 100 11 END
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RCSB PDB
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PDB Code
Check Database
Ligand Name
1a1b
RCSB PDB
PDBbind
3-mer
1a1c
RCSB PDB
PDBbind
3-mer
1a30
RCSB PDB
PDBbind
3-mer
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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
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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
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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
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1qka
RCSB PDB
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1qkb
RCSB PDB
PDBbind
3-mer
1ule
RCSB PDB
PDBbind
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1ur9
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PDBbind
3-mer
1ux7
RCSB PDB
PDBbind
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1uz8
RCSB PDB
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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
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3-mer
2liq
RCSB PDB
PDBbind
3-mer
2olb
RCSB PDB
PDBbind
3-mer
2r2b
RCSB PDB
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2vxj
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2w68
RCSB PDB
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3-mer
2w7y
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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
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PDBbind
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3afk
RCSB PDB
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3-mer
3ap7
RCSB PDB
PDBbind
3-mer
3aya
RCSB PDB
PDBbind
3-mer
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RCSB PDB
PDBbind
3-mer
3g19
RCSB PDB
PDBbind
3-mer
3gxy
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PDBbind
3-mer
3m3c
RCSB PDB
PDBbind
3-mer
3m3e
RCSB PDB
PDBbind
3-mer
3m3o
RCSB PDB
PDBbind
3-mer
3mbp
RCSB PDB
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3-mer
3rse
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PDBbind
3-mer
4bgy
RCSB PDB
PDBbind
3-mer
4bh3
RCSB PDB
PDBbind
3-mer
4bh4
RCSB PDB
PDBbind
3-mer
4c1u
RCSB PDB
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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
1at6
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=85uM
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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