Browse entries in the PDBbind-CN Database
HEADER 3G19_COMPLEX COMPND 3G19_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 84 GLN LYS PRO SER LEU TYR ARG VAL LEU ILE LEU ASN ASP SEQRES 2 A 84 ASP TYR THR PRO MET GLU PHE VAL VAL TYR VAL LEU GLU SEQRES 3 A 84 ARG PHE PHE ASN LYS SER ARG GLU ASP ALA THR ARG ILE SEQRES 4 A 84 MET LEU HIS VAL HIS GLN ASN GLY VAL GLY VAL CYS GLY SEQRES 5 A 84 VAL TYR THR TYR GLU VAL ALA GLU THR LYS VAL ALA GLN SEQRES 6 A 84 VAL ILE ASP SER ALA ARG ARG HIS GLN HIS PRO LEU GLN SEQRES 7 A 84 CYS THR MET GLU LYS ASP HET LEU A 212 60 ATOM 1 N GLN A 36 -13.216 15.301 -9.433 1.00 35.38 N ATOM 2 CA GLN A 36 -12.322 14.291 -8.879 1.00 27.35 C ATOM 3 C GLN A 36 -10.873 14.765 -8.918 1.00 28.26 C ATOM 4 O GLN A 36 -10.555 15.784 -9.534 1.00 25.36 O ATOM 5 CB GLN A 36 -12.461 12.972 -9.647 1.00 25.89 C ATOM 6 CG GLN A 36 -11.621 11.825 -9.098 1.00 26.34 C ATOM 7 CD GLN A 36 -12.221 11.197 -7.855 1.00 28.62 C ATOM 8 OE1 GLN A 36 -11.585 11.140 -6.802 1.00 25.93 O ATOM 9 NE2 GLN A 36 -13.455 10.721 -7.973 1.00 22.51 N ATOM 10 HA GLN A 36 -12.605 14.127 -7.839 1.00 0.00 H ATOM 11 HB2 GLN A 36 -13.508 12.671 -9.618 1.00 0.00 H ATOM 12 HB3 GLN A 36 -12.163 13.147 -10.681 1.00 0.00 H ATOM 13 HG2 GLN A 36 -11.533 11.058 -9.868 1.00 0.00 H ATOM 14 HG3 GLN A 36 -10.630 12.206 -8.852 1.00 0.00 H ATOM 15 HE22 GLN A 36 -13.955 10.791 -8.882 1.00 0.00 H ATOM 16 HE21 GLN A 36 -13.922 10.278 -7.156 1.00 0.00 H ATOM 17 HN3 GLN A 36 -12.953 15.491 -10.421 1.00 0.00 H ATOM 18 HN2 GLN A 36 -13.135 16.176 -8.877 1.00 0.00 H ATOM 19 HN1 GLN A 36 -14.196 14.954 -9.395 1.00 0.00 H ATOM 20 N LYS A 37 -10.001 14.019 -8.250 1.00 24.42 N ATOM 21 CA LYS A 37 -8.576 14.302 -8.270 1.00 24.91 C ATOM 22 C LYS A 37 -7.762 13.075 -7.864 1.00 22.34 C ATOM 23 O LYS A 37 -7.315 12.967 -6.721 1.00 22.12 O ATOM 24 CB LYS A 37 -8.246 15.501 -7.378 1.00 21.17 C ATOM 25 CG LYS A 37 -6.760 15.760 -7.239 1.00 24.82 C ATOM 26 CD LYS A 37 -6.421 17.226 -7.428 1.00 29.51 C ATOM 27 CE LYS A 37 -7.151 18.101 -6.433 1.00 25.54 C ATOM 28 NZ LYS A 37 -6.262 19.191 -5.955 1.00 28.54 N ATOM 29 HA LYS A 37 -8.300 14.557 -9.293 1.00 0.00 H ATOM 30 HB2 LYS A 37 -8.713 16.388 -7.806 1.00 0.00 H ATOM 31 HB3 LYS A 37 -8.659 15.317 -6.386 1.00 0.00 H ATOM 32 HG2 LYS A 37 -6.439 15.449 -6.245 1.00 0.00 H ATOM 33 HG3 LYS A 37 -6.228 15.175 -7.990 1.00 0.00 H ATOM 34 HD2 LYS A 37 -5.347 17.361 -7.296 1.00 0.00 H ATOM 35 HD3 LYS A 37 -6.703 17.527 -8.437 1.00 0.00 H ATOM 36 HE2 LYS A 37 -7.466 17.495 -5.584 1.00 0.00 H ATOM 37 HE3 LYS A 37 -8.028 18.536 -6.912 1.00 0.00 H ATOM 38 HZ1 LYS A 37 -5.426 18.778 -5.495 1.00 0.00 H ATOM 39 HZ2 LYS A 37 -5.963 19.772 -6.764 1.00 0.00 H ATOM 40 HZ3 LYS A 37 -6.777 19.783 -5.273 1.00 0.00 H ATOM 41 H LYS A 37 -10.348 13.209 -7.697 1.00 0.00 H ATOM 42 N PRO A 38 -7.579 12.138 -8.808 1.00 22.70 N ATOM 43 CA PRO A 38 -6.746 10.944 -8.625 1.00 23.31 C ATOM 44 C PRO A 38 -5.382 11.311 -8.053 1.00 20.39 C ATOM 45 O PRO A 38 -4.610 12.007 -8.710 1.00 18.67 O ATOM 46 CB PRO A 38 -6.582 10.418 -10.052 1.00 22.57 C ATOM 47 CG PRO A 38 -7.810 10.864 -10.755 1.00 22.06 C ATOM 48 CD PRO A 38 -8.193 12.185 -10.148 1.00 25.25 C ATOM 49 HA PRO A 38 -7.186 10.225 -7.934 1.00 0.00 H ATOM 50 HD3 PRO A 38 -7.792 13.014 -10.732 1.00 0.00 H ATOM 51 HD2 PRO A 38 -9.276 12.282 -10.078 1.00 0.00 H ATOM 52 HG3 PRO A 38 -8.610 10.138 -10.613 1.00 0.00 H ATOM 53 HG2 PRO A 38 -7.613 10.982 -11.820 1.00 0.00 H ATOM 54 HB2 PRO A 38 -5.694 10.843 -10.520 1.00 0.00 H ATOM 55 HB3 PRO A 38 -6.509 9.330 -10.056 1.00 0.00 H ATOM 56 N SER A 39 -5.087 10.843 -6.845 1.00 15.29 N ATOM 57 CA SER A 39 -3.854 11.230 -6.172 1.00 13.17 C ATOM 58 C SER A 39 -3.015 10.032 -5.740 1.00 14.25 C ATOM 59 O SER A 39 -2.488 10.002 -4.629 1.00 9.30 O ATOM 60 CB SER A 39 -4.165 12.115 -4.966 1.00 15.71 C ATOM 61 OG SER A 39 -5.011 13.189 -5.338 1.00 19.58 O ATOM 62 HA SER A 39 -3.262 11.789 -6.896 1.00 0.00 H ATOM 63 HB2 SER A 39 -3.233 12.515 -4.566 1.00 0.00 H ATOM 64 HB3 SER A 39 -4.661 11.517 -4.201 1.00 0.00 H ATOM 65 HG SER A 39 -5.860 12.829 -5.699 1.00 0.00 H ATOM 66 H SER A 39 -5.746 10.191 -6.373 1.00 0.00 H ATOM 67 N LEU A 40 -2.896 9.048 -6.624 1.00 11.77 N ATOM 68 CA LEU A 40 -2.024 7.909 -6.376 1.00 10.57 C ATOM 69 C LEU A 40 -0.688 8.124 -7.075 1.00 10.84 C ATOM 70 O LEU A 40 -0.572 8.971 -7.959 1.00 13.28 O ATOM 71 CB LEU A 40 -2.684 6.612 -6.843 1.00 9.03 C ATOM 72 CG LEU A 40 -3.990 6.289 -6.115 1.00 9.35 C ATOM 73 CD1 LEU A 40 -4.575 4.970 -6.598 1.00 11.06 C ATOM 74 CD2 LEU A 40 -3.760 6.261 -4.613 1.00 8.89 C ATOM 75 HA LEU A 40 -1.848 7.823 -5.304 1.00 0.00 H ATOM 76 HB2 LEU A 40 -2.896 6.698 -7.909 1.00 0.00 H ATOM 77 HB3 LEU A 40 -1.986 5.791 -6.678 1.00 0.00 H ATOM 78 HG LEU A 40 -4.712 7.073 -6.342 1.00 0.00 H ATOM 79 HD21 LEU A 40 -3.019 5.498 -4.374 1.00 0.00 H ATOM 80 HD22 LEU A 40 -3.399 7.235 -4.284 1.00 0.00 H ATOM 81 HD23 LEU A 40 -4.698 6.030 -4.107 1.00 0.00 H ATOM 82 HD11 LEU A 40 -4.778 5.034 -7.667 1.00 0.00 H ATOM 83 HD12 LEU A 40 -3.862 4.167 -6.409 1.00 0.00 H ATOM 84 HD13 LEU A 40 -5.503 4.768 -6.062 1.00 0.00 H ATOM 85 H LEU A 40 -3.437 9.092 -7.511 1.00 0.00 H ATOM 86 N TYR A 41 0.319 7.357 -6.675 1.00 8.14 N ATOM 87 CA TYR A 41 1.673 7.563 -7.170 1.00 10.27 C ATOM 88 C TYR A 41 2.312 6.273 -7.665 1.00 8.61 C ATOM 89 O TYR A 41 2.249 5.241 -6.998 1.00 7.94 O ATOM 90 CB TYR A 41 2.540 8.193 -6.079 1.00 8.50 C ATOM 91 CG TYR A 41 2.225 9.648 -5.814 1.00 8.44 C ATOM 92 CD1 TYR A 41 1.090 10.017 -5.104 1.00 9.60 C ATOM 93 CD2 TYR A 41 3.064 10.652 -6.274 1.00 10.37 C ATOM 94 CE1 TYR A 41 0.800 11.348 -4.864 1.00 10.89 C ATOM 95 CE2 TYR A 41 2.787 11.981 -6.033 1.00 10.28 C ATOM 96 CZ TYR A 41 1.653 12.325 -5.331 1.00 13.50 C ATOM 97 OH TYR A 41 1.377 13.652 -5.095 1.00 14.36 O ATOM 98 HA TYR A 41 1.606 8.239 -8.023 1.00 0.00 H ATOM 99 HB3 TYR A 41 3.584 8.117 -6.382 1.00 0.00 H ATOM 100 HB2 TYR A 41 2.390 7.635 -5.155 1.00 0.00 H ATOM 101 HD2 TYR A 41 3.959 10.386 -6.836 1.00 0.00 H ATOM 102 HE2 TYR A 41 3.462 12.756 -6.396 1.00 0.00 H ATOM 103 HE1 TYR A 41 -0.097 11.623 -4.309 1.00 0.00 H ATOM 104 HD1 TYR A 41 0.417 9.246 -4.730 1.00 0.00 H ATOM 105 HH TYR A 41 0.533 13.726 -4.582 1.00 0.00 H ATOM 106 H TYR A 41 0.137 6.593 -5.994 1.00 0.00 H ATOM 107 N ARG A 42 2.931 6.342 -8.839 1.00 11.60 N ATOM 108 CA ARG A 42 3.614 5.190 -9.410 1.00 9.49 C ATOM 109 C ARG A 42 5.067 5.141 -8.953 1.00 9.94 C ATOM 110 O ARG A 42 5.731 6.173 -8.845 1.00 7.26 O ATOM 111 CB ARG A 42 3.538 5.218 -10.938 1.00 11.70 C ATOM 112 CG ARG A 42 4.153 6.453 -11.572 1.00 16.17 C ATOM 113 CD ARG A 42 3.871 6.503 -13.064 1.00 22.21 C ATOM 114 NE ARG A 42 4.313 7.761 -13.656 1.00 26.85 N ATOM 115 CZ ARG A 42 4.047 8.136 -14.902 1.00 28.23 C ATOM 116 NH1 ARG A 42 3.335 7.348 -15.697 1.00 34.04 N ATOM 117 NH2 ARG A 42 4.492 9.299 -15.353 1.00 30.54 N ATOM 118 HA ARG A 42 3.111 4.290 -9.055 1.00 0.00 H ATOM 119 HB2 ARG A 42 4.059 4.341 -11.322 1.00 0.00 H ATOM 120 HB3 ARG A 42 2.489 5.171 -11.229 1.00 0.00 H ATOM 121 HG2 ARG A 42 3.733 7.342 -11.101 1.00 0.00 H ATOM 122 HG3 ARG A 42 5.231 6.435 -11.414 1.00 0.00 H ATOM 123 HD2 ARG A 42 2.798 6.395 -13.225 1.00 0.00 H ATOM 124 HD3 ARG A 42 4.395 5.680 -13.550 1.00 0.00 H ATOM 125 HE ARG A 42 4.873 8.407 -13.063 1.00 0.00 H ATOM 126 HH12 ARG A 42 3.128 7.644 -16.672 1.00 0.00 H ATOM 127 HH11 ARG A 42 2.984 6.435 -15.345 1.00 0.00 H ATOM 128 HH22 ARG A 42 4.284 9.593 -16.329 1.00 0.00 H ATOM 129 HH21 ARG A 42 5.050 9.919 -14.731 1.00 0.00 H ATOM 130 H ARG A 42 2.927 7.241 -9.362 1.00 0.00 H ATOM 131 N VAL A 43 5.551 3.937 -8.677 1.00 7.58 N ATOM 132 CA VAL A 43 6.932 3.752 -8.258 1.00 8.00 C ATOM 133 C VAL A 43 7.768 3.237 -9.422 1.00 11.23 C ATOM 134 O VAL A 43 7.398 2.269 -10.086 1.00 6.97 O ATOM 135 CB VAL A 43 7.037 2.775 -7.073 1.00 9.11 C ATOM 136 CG1 VAL A 43 8.492 2.555 -6.696 1.00 6.76 C ATOM 137 CG2 VAL A 43 6.248 3.303 -5.884 1.00 10.00 C ATOM 138 HA VAL A 43 7.312 4.721 -7.934 1.00 0.00 H ATOM 139 HB VAL A 43 6.612 1.816 -7.371 1.00 0.00 H ATOM 140 HG11 VAL A 43 9.028 2.139 -7.549 1.00 0.00 H ATOM 141 HG12 VAL A 43 8.941 3.507 -6.413 1.00 0.00 H ATOM 142 HG13 VAL A 43 8.548 1.862 -5.857 1.00 0.00 H ATOM 143 HG21 VAL A 43 6.649 4.272 -5.585 1.00 0.00 H ATOM 144 HG22 VAL A 43 5.200 3.413 -6.165 1.00 0.00 H ATOM 145 HG23 VAL A 43 6.332 2.602 -5.054 1.00 0.00 H ATOM 146 H VAL A 43 4.930 3.107 -8.762 1.00 0.00 H ATOM 147 N LEU A 44 8.895 3.897 -9.670 1.00 8.87 N ATOM 148 CA LEU A 44 9.769 3.524 -10.772 1.00 8.81 C ATOM 149 C LEU A 44 11.087 2.955 -10.273 1.00 9.48 C ATOM 150 O LEU A 44 11.626 3.398 -9.259 1.00 7.50 O ATOM 151 CB LEU A 44 10.062 4.733 -11.661 1.00 8.44 C ATOM 152 CG LEU A 44 8.894 5.613 -12.102 1.00 11.55 C ATOM 153 CD1 LEU A 44 9.415 6.794 -12.905 1.00 8.47 C ATOM 154 CD2 LEU A 44 7.883 4.814 -12.907 1.00 10.95 C ATOM 155 HA LEU A 44 9.247 2.758 -11.346 1.00 0.00 H ATOM 156 HB2 LEU A 44 10.759 5.371 -11.118 1.00 0.00 H ATOM 157 HB3 LEU A 44 10.543 4.359 -12.565 1.00 0.00 H ATOM 158 HG LEU A 44 8.384 5.988 -11.215 1.00 0.00 H ATOM 159 HD21 LEU A 44 8.368 4.406 -13.794 1.00 0.00 H ATOM 160 HD22 LEU A 44 7.496 3.999 -12.295 1.00 0.00 H ATOM 161 HD23 LEU A 44 7.063 5.466 -13.207 1.00 0.00 H ATOM 162 HD11 LEU A 44 10.096 7.380 -12.287 1.00 0.00 H ATOM 163 HD12 LEU A 44 9.944 6.428 -13.785 1.00 0.00 H ATOM 164 HD13 LEU A 44 8.577 7.418 -13.217 1.00 0.00 H ATOM 165 H LEU A 44 9.158 4.699 -9.062 1.00 0.00 H ATOM 166 N ILE A 45 11.598 1.969 -10.998 1.00 8.76 N ATOM 167 CA ILE A 45 12.949 1.482 -10.784 1.00 9.03 C ATOM 168 C ILE A 45 13.749 1.742 -12.051 1.00 9.13 C ATOM 169 O ILE A 45 13.327 1.377 -13.148 1.00 8.52 O ATOM 170 CB ILE A 45 12.972 -0.015 -10.436 1.00 9.28 C ATOM 171 CG1 ILE A 45 12.663 -0.213 -8.950 1.00 9.17 C ATOM 172 CG2 ILE A 45 14.324 -0.621 -10.774 1.00 8.02 C ATOM 173 CD1 ILE A 45 12.655 -1.662 -8.514 1.00 8.06 C ATOM 174 HA ILE A 45 13.387 2.008 -9.936 1.00 0.00 H ATOM 175 HB ILE A 45 12.209 -0.521 -11.028 1.00 0.00 H ATOM 176 HG12 ILE A 45 13.418 0.317 -8.369 1.00 0.00 H ATOM 177 HG13 ILE A 45 11.681 0.213 -8.743 1.00 0.00 H ATOM 178 HD11 ILE A 45 11.897 -2.205 -9.077 1.00 0.00 H ATOM 179 HD12 ILE A 45 13.634 -2.102 -8.702 1.00 0.00 H ATOM 180 HD13 ILE A 45 12.429 -1.718 -7.449 1.00 0.00 H ATOM 181 HG21 ILE A 45 14.518 -0.502 -11.840 1.00 0.00 H ATOM 182 HG22 ILE A 45 15.101 -0.113 -10.203 1.00 0.00 H ATOM 183 HG23 ILE A 45 14.319 -1.681 -10.520 1.00 0.00 H ATOM 184 H ILE A 45 11.015 1.533 -11.740 1.00 0.00 H ATOM 185 N LEU A 46 14.894 2.397 -11.900 1.00 7.35 N ATOM 186 CA LEU A 46 15.721 2.744 -13.045 1.00 7.95 C ATOM 187 C LEU A 46 16.791 1.693 -13.280 1.00 10.75 C ATOM 188 O LEU A 46 17.242 1.028 -12.347 1.00 8.53 O ATOM 189 CB LEU A 46 16.363 4.119 -12.855 1.00 9.67 C ATOM 190 CG LEU A 46 15.473 5.332 -13.134 1.00 11.16 C ATOM 191 CD1 LEU A 46 14.240 5.326 -12.244 1.00 12.81 C ATOM 192 CD2 LEU A 46 16.259 6.621 -12.954 1.00 15.47 C ATOM 193 HA LEU A 46 15.076 2.781 -13.923 1.00 0.00 H ATOM 194 HB2 LEU A 46 16.701 4.187 -11.821 1.00 0.00 H ATOM 195 HB3 LEU A 46 17.223 4.178 -13.522 1.00 0.00 H ATOM 196 HG LEU A 46 15.137 5.272 -14.169 1.00 0.00 H ATOM 197 HD21 LEU A 46 16.628 6.680 -11.930 1.00 0.00 H ATOM 198 HD22 LEU A 46 17.101 6.632 -13.647 1.00 0.00 H ATOM 199 HD23 LEU A 46 15.609 7.472 -13.157 1.00 0.00 H ATOM 200 HD11 LEU A 46 13.663 4.420 -12.431 1.00 0.00 H ATOM 201 HD12 LEU A 46 14.548 5.353 -11.199 1.00 0.00 H ATOM 202 HD13 LEU A 46 13.628 6.200 -12.467 1.00 0.00 H ATOM 203 H LEU A 46 15.205 2.667 -10.945 1.00 0.00 H ATOM 204 N ASN A 47 17.194 1.546 -14.535 1.00 9.21 N ATOM 205 CA ASN A 47 18.226 0.586 -14.883 1.00 9.89 C ATOM 206 C ASN A 47 19.617 1.095 -14.542 1.00 7.92 C ATOM 207 O ASN A 47 19.865 2.299 -14.512 1.00 9.50 O ATOM 208 CB ASN A 47 18.164 0.238 -16.370 1.00 8.35 C ATOM 209 CG ASN A 47 19.130 -0.869 -16.746 1.00 9.81 C ATOM 210 OD1 ASN A 47 19.156 -1.922 -16.110 1.00 8.76 O ATOM 211 ND2 ASN A 47 19.930 -0.636 -17.780 1.00 11.87 N ATOM 212 HA ASN A 47 18.035 -0.309 -14.290 1.00 0.00 H ATOM 213 HB2 ASN A 47 17.151 -0.084 -16.613 1.00 0.00 H ATOM 214 HB3 ASN A 47 18.409 1.129 -16.949 1.00 0.00 H ATOM 215 HD22 ASN A 47 19.873 0.270 -18.288 1.00 0.00 H ATOM 216 HD21 ASN A 47 20.614 -1.359 -18.082 1.00 0.00 H ATOM 217 H ASN A 47 16.764 2.128 -15.282 1.00 0.00 H ATOM 218 N ASP A 48 20.517 0.159 -14.273 1.00 9.89 N ATOM 219 CA ASP A 48 21.938 0.452 -14.180 1.00 11.94 C ATOM 220 C ASP A 48 22.680 -0.812 -14.589 1.00 11.99 C ATOM 221 O ASP A 48 22.073 -1.873 -14.725 1.00 11.09 O ATOM 222 CB ASP A 48 22.325 0.907 -12.770 1.00 10.98 C ATOM 223 CG ASP A 48 22.195 -0.196 -11.743 1.00 9.74 C ATOM 224 OD1 ASP A 48 22.949 -1.185 -11.834 1.00 13.31 O ATOM 225 OD2 ASP A 48 21.349 -0.067 -10.833 1.00 9.09 O ATOM 226 HA ASP A 48 22.204 1.277 -14.840 1.00 0.00 H ATOM 227 HB2 ASP A 48 23.360 1.249 -12.786 1.00 0.00 H ATOM 228 HB3 ASP A 48 21.675 1.733 -12.479 1.00 0.00 H ATOM 229 H ASP A 48 20.195 -0.819 -14.123 1.00 0.00 H ATOM 230 N ASP A 49 23.986 -0.703 -14.792 1.00 13.21 N ATOM 231 CA ASP A 49 24.753 -1.817 -15.336 1.00 15.24 C ATOM 232 C ASP A 49 25.379 -2.699 -14.257 1.00 16.30 C ATOM 233 O ASP A 49 26.176 -3.584 -14.563 1.00 17.00 O ATOM 234 CB ASP A 49 25.840 -1.295 -16.280 1.00 19.40 C ATOM 235 CG ASP A 49 25.273 -0.480 -17.428 1.00 27.10 C ATOM 236 OD1 ASP A 49 24.255 -0.902 -18.014 1.00 22.16 O ATOM 237 OD2 ASP A 49 25.849 0.581 -17.748 1.00 33.24 O ATOM 238 HA ASP A 49 24.049 -2.443 -15.885 1.00 0.00 H ATOM 239 HB2 ASP A 49 26.525 -0.667 -15.711 1.00 0.00 H ATOM 240 HB3 ASP A 49 26.384 -2.145 -16.691 1.00 0.00 H ATOM 241 H ASP A 49 24.469 0.188 -14.560 1.00 0.00 H ATOM 242 N TYR A 50 25.006 -2.473 -13.001 1.00 12.81 N ATOM 243 CA TYR A 50 25.683 -3.133 -11.884 1.00 13.09 C ATOM 244 C TYR A 50 24.791 -4.017 -11.011 1.00 13.72 C ATOM 245 O TYR A 50 25.218 -5.079 -10.563 1.00 12.15 O ATOM 246 CB TYR A 50 26.416 -2.093 -11.035 1.00 12.47 C ATOM 247 CG TYR A 50 27.304 -1.206 -11.871 1.00 13.13 C ATOM 248 CD1 TYR A 50 28.539 -1.655 -12.316 1.00 15.41 C ATOM 249 CD2 TYR A 50 26.897 0.069 -12.239 1.00 14.12 C ATOM 250 CE1 TYR A 50 29.352 -0.856 -13.091 1.00 15.23 C ATOM 251 CE2 TYR A 50 27.705 0.879 -13.016 1.00 14.23 C ATOM 252 CZ TYR A 50 28.932 0.409 -13.439 1.00 16.51 C ATOM 253 OH TYR A 50 29.745 1.202 -14.212 1.00 21.39 O ATOM 254 HA TYR A 50 26.392 -3.825 -12.338 1.00 0.00 H ATOM 255 HB3 TYR A 50 27.029 -2.610 -10.297 1.00 0.00 H ATOM 256 HB2 TYR A 50 25.679 -1.473 -10.524 1.00 0.00 H ATOM 257 HD2 TYR A 50 25.925 0.438 -11.910 1.00 0.00 H ATOM 258 HE2 TYR A 50 27.376 1.881 -13.292 1.00 0.00 H ATOM 259 HE1 TYR A 50 30.322 -1.223 -13.427 1.00 0.00 H ATOM 260 HD1 TYR A 50 28.872 -2.658 -12.048 1.00 0.00 H ATOM 261 HH TYR A 50 30.579 0.711 -14.423 1.00 0.00 H ATOM 262 H TYR A 50 24.222 -1.818 -12.810 1.00 0.00 H ATOM 263 N THR A 51 23.560 -3.582 -10.767 1.00 10.89 N ATOM 264 CA THR A 51 22.630 -4.358 -9.953 1.00 10.99 C ATOM 265 C THR A 51 22.240 -5.652 -10.656 1.00 11.40 C ATOM 266 O THR A 51 21.851 -5.630 -11.822 1.00 9.50 O ATOM 267 CB THR A 51 21.350 -3.564 -9.648 1.00 9.99 C ATOM 268 OG1 THR A 51 21.696 -2.290 -9.094 1.00 8.32 O ATOM 269 CG2 THR A 51 20.477 -4.327 -8.663 1.00 7.83 C ATOM 270 HA THR A 51 23.144 -4.584 -9.019 1.00 0.00 H ATOM 271 HB THR A 51 20.795 -3.422 -10.575 1.00 0.00 H ATOM 272 HG1 THR A 51 22.248 -1.788 -9.744 1.00 0.00 H ATOM 273 HG23 THR A 51 20.215 -5.296 -9.087 1.00 0.00 H ATOM 274 HG21 THR A 51 21.024 -4.472 -7.731 1.00 0.00 H ATOM 275 HG22 THR A 51 19.569 -3.757 -8.467 1.00 0.00 H ATOM 276 H THR A 51 23.253 -2.671 -11.164 1.00 0.00 H ATOM 277 N PRO A 52 22.346 -6.786 -9.948 1.00 9.46 N ATOM 278 CA PRO A 52 21.981 -8.086 -10.523 1.00 14.82 C ATOM 279 C PRO A 52 20.488 -8.203 -10.797 1.00 12.29 C ATOM 280 O PRO A 52 19.669 -7.752 -9.997 1.00 10.78 O ATOM 281 CB PRO A 52 22.376 -9.087 -9.431 1.00 14.07 C ATOM 282 CG PRO A 52 23.311 -8.358 -8.538 1.00 10.58 C ATOM 283 CD PRO A 52 22.922 -6.918 -8.600 1.00 11.66 C ATOM 284 HA PRO A 52 22.473 -8.248 -11.482 1.00 0.00 H ATOM 285 HD3 PRO A 52 22.185 -6.678 -7.834 1.00 0.00 H ATOM 286 HD2 PRO A 52 23.792 -6.272 -8.481 1.00 0.00 H ATOM 287 HG3 PRO A 52 24.337 -8.486 -8.882 1.00 0.00 H ATOM 288 HG2 PRO A 52 23.222 -8.728 -7.517 1.00 0.00 H ATOM 289 HB2 PRO A 52 21.496 -9.412 -8.876 1.00 0.00 H ATOM 290 HB3 PRO A 52 22.868 -9.955 -9.870 1.00 0.00 H ATOM 291 N MET A 53 20.148 -8.818 -11.924 1.00 12.43 N ATOM 292 CA MET A 53 18.758 -9.087 -12.261 1.00 11.50 C ATOM 293 C MET A 53 18.035 -9.747 -11.093 1.00 13.28 C ATOM 294 O MET A 53 16.925 -9.355 -10.736 1.00 13.13 O ATOM 295 CB MET A 53 18.677 -9.979 -13.498 1.00 14.65 C ATOM 296 CG MET A 53 18.995 -9.264 -14.796 1.00 15.13 C ATOM 297 SD MET A 53 18.605 -10.284 -16.227 1.00 14.21 S ATOM 298 CE MET A 53 19.044 -9.180 -17.562 1.00 15.15 C ATOM 299 HA MET A 53 18.270 -8.136 -12.476 1.00 0.00 H ATOM 300 HB2 MET A 53 19.384 -10.799 -13.376 1.00 0.00 H ATOM 301 HB3 MET A 53 17.666 -10.380 -13.566 1.00 0.00 H ATOM 302 HG2 MET A 53 20.057 -9.019 -14.814 1.00 0.00 H ATOM 303 HG3 MET A 53 18.411 -8.345 -14.846 1.00 0.00 H ATOM 304 HE1 MET A 53 18.442 -8.274 -17.496 1.00 0.00 H ATOM 305 HE2 MET A 53 20.100 -8.922 -17.486 1.00 0.00 H ATOM 306 HE3 MET A 53 18.857 -9.673 -18.516 1.00 0.00 H ATOM 307 H MET A 53 20.895 -9.115 -12.583 1.00 0.00 H ATOM 308 N GLU A 54 18.680 -10.747 -10.499 1.00 12.95 N ATOM 309 CA GLU A 54 18.117 -11.473 -9.364 1.00 13.46 C ATOM 310 C GLU A 54 17.665 -10.546 -8.240 1.00 12.41 C ATOM 311 O GLU A 54 16.630 -10.778 -7.619 1.00 7.97 O ATOM 312 CB GLU A 54 19.135 -12.471 -8.808 1.00 15.97 C ATOM 313 CG GLU A 54 19.838 -13.310 -9.855 1.00 30.31 C ATOM 314 CD GLU A 54 18.886 -14.182 -10.641 1.00 31.47 C ATOM 315 OE1 GLU A 54 18.758 -15.375 -10.298 1.00 40.72 O ATOM 316 OE2 GLU A 54 18.260 -13.674 -11.593 1.00 35.04 O ATOM 317 HA GLU A 54 17.240 -11.999 -9.740 1.00 0.00 H ATOM 318 HB2 GLU A 54 19.891 -11.913 -8.256 1.00 0.00 H ATOM 319 HB3 GLU A 54 18.614 -13.144 -8.127 1.00 0.00 H ATOM 320 HG2 GLU A 54 20.353 -12.644 -10.547 1.00 0.00 H ATOM 321 HG3 GLU A 54 20.567 -13.950 -9.358 1.00 0.00 H ATOM 322 H GLU A 54 19.618 -11.021 -10.855 1.00 0.00 H ATOM 323 N PHE A 55 18.446 -9.508 -7.961 1.00 14.19 N ATOM 324 CA PHE A 55 18.089 -8.595 -6.881 1.00 9.61 C ATOM 325 C PHE A 55 16.815 -7.830 -7.212 1.00 9.17 C ATOM 326 O PHE A 55 15.939 -7.669 -6.364 1.00 8.84 O ATOM 327 CB PHE A 55 19.218 -7.613 -6.563 1.00 8.85 C ATOM 328 CG PHE A 55 18.844 -6.595 -5.521 1.00 8.79 C ATOM 329 CD1 PHE A 55 18.717 -6.963 -4.192 1.00 10.01 C ATOM 330 CD2 PHE A 55 18.599 -5.278 -5.873 1.00 7.78 C ATOM 331 CE1 PHE A 55 18.364 -6.035 -3.230 1.00 7.41 C ATOM 332 CE2 PHE A 55 18.246 -4.344 -4.917 1.00 7.67 C ATOM 333 CZ PHE A 55 18.128 -4.724 -3.593 1.00 10.12 C ATOM 334 HA PHE A 55 17.917 -9.207 -5.996 1.00 0.00 H ATOM 335 HB2 PHE A 55 20.077 -8.178 -6.202 1.00 0.00 H ATOM 336 HB3 PHE A 55 19.489 -7.088 -7.479 1.00 0.00 H ATOM 337 HD2 PHE A 55 18.686 -4.974 -6.916 1.00 0.00 H ATOM 338 HE2 PHE A 55 18.061 -3.310 -5.207 1.00 0.00 H ATOM 339 HZ PHE A 55 17.849 -3.990 -2.837 1.00 0.00 H ATOM 340 HE1 PHE A 55 18.272 -6.338 -2.187 1.00 0.00 H ATOM 341 HD1 PHE A 55 18.898 -7.998 -3.901 1.00 0.00 H ATOM 342 H PHE A 55 19.312 -9.346 -8.513 1.00 0.00 H ATOM 343 N VAL A 56 16.718 -7.360 -8.450 1.00 8.89 N ATOM 344 CA VAL A 56 15.548 -6.607 -8.884 1.00 7.74 C ATOM 345 C VAL A 56 14.278 -7.456 -8.813 1.00 7.58 C ATOM 346 O VAL A 56 13.218 -6.968 -8.424 1.00 7.26 O ATOM 347 CB VAL A 56 15.737 -6.040 -10.302 1.00 9.64 C ATOM 348 CG1 VAL A 56 14.465 -5.351 -10.773 1.00 6.32 C ATOM 349 CG2 VAL A 56 16.914 -5.073 -10.329 1.00 10.03 C ATOM 350 HA VAL A 56 15.435 -5.769 -8.196 1.00 0.00 H ATOM 351 HB VAL A 56 15.951 -6.864 -10.983 1.00 0.00 H ATOM 352 HG11 VAL A 56 13.646 -6.071 -10.784 1.00 0.00 H ATOM 353 HG12 VAL A 56 14.223 -4.534 -10.093 1.00 0.00 H ATOM 354 HG13 VAL A 56 14.618 -4.956 -11.778 1.00 0.00 H ATOM 355 HG21 VAL A 56 16.724 -4.252 -9.638 1.00 0.00 H ATOM 356 HG22 VAL A 56 17.821 -5.598 -10.030 1.00 0.00 H ATOM 357 HG23 VAL A 56 17.036 -4.680 -11.338 1.00 0.00 H ATOM 358 H VAL A 56 17.492 -7.533 -9.123 1.00 0.00 H ATOM 359 N VAL A 57 14.387 -8.727 -9.181 1.00 7.37 N ATOM 360 CA VAL A 57 13.257 -9.642 -9.064 1.00 8.53 C ATOM 361 C VAL A 57 12.851 -9.779 -7.598 1.00 8.08 C ATOM 362 O VAL A 57 11.665 -9.830 -7.272 1.00 7.98 O ATOM 363 CB VAL A 57 13.585 -11.028 -9.654 1.00 10.22 C ATOM 364 CG1 VAL A 57 12.448 -12.004 -9.394 1.00 10.22 C ATOM 365 CG2 VAL A 57 13.865 -10.914 -11.146 1.00 9.74 C ATOM 366 HA VAL A 57 12.427 -9.226 -9.635 1.00 0.00 H ATOM 367 HB VAL A 57 14.480 -11.411 -9.163 1.00 0.00 H ATOM 368 HG11 VAL A 57 12.296 -12.104 -8.319 1.00 0.00 H ATOM 369 HG12 VAL A 57 11.536 -11.629 -9.858 1.00 0.00 H ATOM 370 HG13 VAL A 57 12.701 -12.976 -9.819 1.00 0.00 H ATOM 371 HG21 VAL A 57 12.986 -10.511 -11.650 1.00 0.00 H ATOM 372 HG22 VAL A 57 14.714 -10.249 -11.305 1.00 0.00 H ATOM 373 HG23 VAL A 57 14.095 -11.901 -11.548 1.00 0.00 H ATOM 374 H VAL A 57 15.291 -9.075 -9.558 1.00 0.00 H ATOM 375 N TYR A 58 13.849 -9.822 -6.720 1.00 9.48 N ATOM 376 CA TYR A 58 13.618 -9.892 -5.280 1.00 9.30 C ATOM 377 C TYR A 58 12.823 -8.699 -4.758 1.00 7.93 C ATOM 378 O TYR A 58 11.858 -8.869 -4.011 1.00 6.24 O ATOM 379 CB TYR A 58 14.949 -9.998 -4.531 1.00 9.27 C ATOM 380 CG TYR A 58 14.871 -9.613 -3.068 1.00 8.69 C ATOM 381 CD1 TYR A 58 14.224 -10.428 -2.147 1.00 9.06 C ATOM 382 CD2 TYR A 58 15.454 -8.439 -2.606 1.00 9.42 C ATOM 383 CE1 TYR A 58 14.154 -10.081 -0.810 1.00 8.70 C ATOM 384 CE2 TYR A 58 15.390 -8.084 -1.271 1.00 8.92 C ATOM 385 CZ TYR A 58 14.739 -8.908 -0.377 1.00 8.96 C ATOM 386 OH TYR A 58 14.674 -8.558 0.952 1.00 8.29 O ATOM 387 HA TYR A 58 13.022 -10.786 -5.098 1.00 0.00 H ATOM 388 HB3 TYR A 58 15.670 -9.342 -5.019 1.00 0.00 H ATOM 389 HB2 TYR A 58 15.297 -11.029 -4.595 1.00 0.00 H ATOM 390 HD2 TYR A 58 15.971 -7.786 -3.309 1.00 0.00 H ATOM 391 HE2 TYR A 58 15.851 -7.158 -0.927 1.00 0.00 H ATOM 392 HE1 TYR A 58 13.640 -10.730 -0.102 1.00 0.00 H ATOM 393 HD1 TYR A 58 13.764 -11.357 -2.484 1.00 0.00 H ATOM 394 HH TYR A 58 15.591 -8.481 1.317 1.00 0.00 H ATOM 395 H TYR A 58 14.828 -9.805 -7.071 1.00 0.00 H ATOM 396 N VAL A 59 13.231 -7.494 -5.143 1.00 8.60 N ATOM 397 CA VAL A 59 12.558 -6.286 -4.672 1.00 8.20 C ATOM 398 C VAL A 59 11.129 -6.194 -5.200 1.00 7.32 C ATOM 399 O VAL A 59 10.239 -5.692 -4.517 1.00 6.34 O ATOM 400 CB VAL A 59 13.337 -4.998 -5.029 1.00 7.37 C ATOM 401 CG1 VAL A 59 14.668 -4.959 -4.293 1.00 9.85 C ATOM 402 CG2 VAL A 59 13.547 -4.887 -6.527 1.00 11.76 C ATOM 403 HA VAL A 59 12.524 -6.366 -3.585 1.00 0.00 H ATOM 404 HB VAL A 59 12.742 -4.142 -4.710 1.00 0.00 H ATOM 405 HG11 VAL A 59 14.488 -4.978 -3.218 1.00 0.00 H ATOM 406 HG12 VAL A 59 15.265 -5.825 -4.578 1.00 0.00 H ATOM 407 HG13 VAL A 59 15.201 -4.046 -4.557 1.00 0.00 H ATOM 408 HG21 VAL A 59 14.115 -5.748 -6.878 1.00 0.00 H ATOM 409 HG22 VAL A 59 12.579 -4.861 -7.027 1.00 0.00 H ATOM 410 HG23 VAL A 59 14.097 -3.972 -6.749 1.00 0.00 H ATOM 411 H VAL A 59 14.041 -7.410 -5.789 1.00 0.00 H ATOM 412 N LEU A 60 10.913 -6.689 -6.414 1.00 6.45 N ATOM 413 CA LEU A 60 9.585 -6.669 -7.017 1.00 6.46 C ATOM 414 C LEU A 60 8.656 -7.664 -6.331 1.00 8.27 C ATOM 415 O LEU A 60 7.510 -7.342 -6.017 1.00 7.84 O ATOM 416 CB LEU A 60 9.673 -6.958 -8.517 1.00 6.67 C ATOM 417 CG LEU A 60 10.249 -5.808 -9.345 1.00 7.23 C ATOM 418 CD1 LEU A 60 10.786 -6.302 -10.680 1.00 9.45 C ATOM 419 CD2 LEU A 60 9.204 -4.718 -9.544 1.00 7.34 C ATOM 420 HA LEU A 60 9.167 -5.672 -6.881 1.00 0.00 H ATOM 421 HB2 LEU A 60 10.307 -7.833 -8.660 1.00 0.00 H ATOM 422 HB3 LEU A 60 8.669 -7.174 -8.883 1.00 0.00 H ATOM 423 HG LEU A 60 11.087 -5.382 -8.794 1.00 0.00 H ATOM 424 HD21 LEU A 60 8.342 -5.134 -10.066 1.00 0.00 H ATOM 425 HD22 LEU A 60 8.892 -4.334 -8.573 1.00 0.00 H ATOM 426 HD23 LEU A 60 9.633 -3.909 -10.135 1.00 0.00 H ATOM 427 HD11 LEU A 60 11.575 -7.033 -10.505 1.00 0.00 H ATOM 428 HD12 LEU A 60 9.978 -6.766 -11.246 1.00 0.00 H ATOM 429 HD13 LEU A 60 11.188 -5.459 -11.243 1.00 0.00 H ATOM 430 H LEU A 60 11.707 -7.099 -6.945 1.00 0.00 H ATOM 431 N GLU A 61 9.163 -8.869 -6.092 1.00 7.20 N ATOM 432 CA GLU A 61 8.379 -9.914 -5.443 1.00 7.60 C ATOM 433 C GLU A 61 8.028 -9.566 -3.997 1.00 8.78 C ATOM 434 O GLU A 61 6.929 -9.868 -3.531 1.00 8.52 O ATOM 435 CB GLU A 61 9.114 -11.257 -5.511 1.00 7.99 C ATOM 436 CG GLU A 61 9.212 -11.828 -6.919 1.00 8.56 C ATOM 437 CD GLU A 61 9.930 -13.164 -6.969 1.00 13.25 C ATOM 438 OE1 GLU A 61 10.495 -13.580 -5.936 1.00 13.63 O ATOM 439 OE2 GLU A 61 9.930 -13.797 -8.045 1.00 11.94 O ATOM 440 HA GLU A 61 7.439 -9.995 -5.989 1.00 0.00 H ATOM 441 HB2 GLU A 61 10.124 -11.118 -5.124 1.00 0.00 H ATOM 442 HB3 GLU A 61 8.582 -11.973 -4.885 1.00 0.00 H ATOM 443 HG2 GLU A 61 8.204 -11.960 -7.311 1.00 0.00 H ATOM 444 HG3 GLU A 61 9.754 -11.119 -7.545 1.00 0.00 H ATOM 445 H GLU A 61 10.143 -9.072 -6.375 1.00 0.00 H ATOM 446 N ARG A 62 8.955 -8.925 -3.290 1.00 7.04 N ATOM 447 CA ARG A 62 8.730 -8.596 -1.885 1.00 6.43 C ATOM 448 C ARG A 62 8.091 -7.225 -1.679 1.00 7.57 C ATOM 449 O ARG A 62 6.965 -7.122 -1.192 1.00 7.56 O ATOM 450 CB ARG A 62 10.030 -8.680 -1.079 1.00 8.60 C ATOM 451 CG ARG A 62 9.851 -8.247 0.370 1.00 8.12 C ATOM 452 CD ARG A 62 11.124 -8.376 1.190 1.00 8.07 C ATOM 453 NE ARG A 62 10.882 -8.018 2.586 1.00 8.24 N ATOM 454 CZ ARG A 62 11.820 -7.970 3.526 1.00 8.95 C ATOM 455 NH1 ARG A 62 13.079 -8.257 3.226 1.00 9.23 N ATOM 456 NH2 ARG A 62 11.499 -7.632 4.767 1.00 12.12 N ATOM 457 HA ARG A 62 8.024 -9.343 -1.521 1.00 0.00 H ATOM 458 HB2 ARG A 62 10.384 -9.711 -1.094 1.00 0.00 H ATOM 459 HB3 ARG A 62 10.773 -8.035 -1.547 1.00 0.00 H ATOM 460 HG2 ARG A 62 9.532 -7.205 0.385 1.00 0.00 H ATOM 461 HG3 ARG A 62 9.080 -8.868 0.826 1.00 0.00 H ATOM 462 HD2 ARG A 62 11.884 -7.712 0.777 1.00 0.00 H ATOM 463 HD3 ARG A 62 11.478 -9.406 1.141 1.00 0.00 H ATOM 464 HE ARG A 62 9.907 -7.784 2.863 1.00 0.00 H ATOM 465 HH12 ARG A 62 13.811 -8.219 3.964 1.00 0.00 H ATOM 466 HH11 ARG A 62 13.335 -8.521 2.253 1.00 0.00 H ATOM 467 HH22 ARG A 62 12.234 -7.595 5.502 1.00 0.00 H ATOM 468 HH21 ARG A 62 10.513 -7.404 5.005 1.00 0.00 H ATOM 469 H ARG A 62 9.851 -8.655 -3.744 1.00 0.00 H ATOM 470 N PHE A 63 8.816 -6.173 -2.044 1.00 6.74 N ATOM 471 CA PHE A 63 8.373 -4.812 -1.758 1.00 7.01 C ATOM 472 C PHE A 63 7.202 -4.364 -2.628 1.00 8.60 C ATOM 473 O PHE A 63 6.572 -3.343 -2.353 1.00 11.82 O ATOM 474 CB PHE A 63 9.541 -3.829 -1.876 1.00 7.92 C ATOM 475 CG PHE A 63 10.679 -4.133 -0.944 1.00 8.33 C ATOM 476 CD1 PHE A 63 10.472 -4.187 0.424 1.00 8.39 C ATOM 477 CD2 PHE A 63 11.953 -4.365 -1.434 1.00 8.63 C ATOM 478 CE1 PHE A 63 11.513 -4.469 1.287 1.00 9.49 C ATOM 479 CE2 PHE A 63 13.000 -4.646 -0.575 1.00 8.83 C ATOM 480 CZ PHE A 63 12.779 -4.698 0.787 1.00 7.95 C ATOM 481 HA PHE A 63 8.009 -4.816 -0.731 1.00 0.00 H ATOM 482 HB2 PHE A 63 9.916 -3.860 -2.899 1.00 0.00 H ATOM 483 HB3 PHE A 63 9.172 -2.827 -1.655 1.00 0.00 H ATOM 484 HD2 PHE A 63 12.133 -4.326 -2.508 1.00 0.00 H ATOM 485 HE2 PHE A 63 13.999 -4.826 -0.973 1.00 0.00 H ATOM 486 HZ PHE A 63 13.603 -4.919 1.466 1.00 0.00 H ATOM 487 HE1 PHE A 63 11.335 -4.511 2.362 1.00 0.00 H ATOM 488 HD1 PHE A 63 9.475 -4.005 0.825 1.00 0.00 H ATOM 489 H PHE A 63 9.716 -6.322 -2.543 1.00 0.00 H ATOM 490 N PHE A 64 6.905 -5.131 -3.670 1.00 9.21 N ATOM 491 CA PHE A 64 5.812 -4.784 -4.569 1.00 8.18 C ATOM 492 C PHE A 64 4.853 -5.949 -4.786 1.00 8.82 C ATOM 493 O PHE A 64 4.026 -5.927 -5.698 1.00 8.74 O ATOM 494 CB PHE A 64 6.359 -4.256 -5.894 1.00 9.08 C ATOM 495 CG PHE A 64 7.228 -3.044 -5.736 1.00 8.65 C ATOM 496 CD1 PHE A 64 6.664 -1.795 -5.534 1.00 7.89 C ATOM 497 CD2 PHE A 64 8.607 -3.154 -5.768 1.00 8.92 C ATOM 498 CE1 PHE A 64 7.458 -0.677 -5.379 1.00 9.41 C ATOM 499 CE2 PHE A 64 9.409 -2.039 -5.614 1.00 7.34 C ATOM 500 CZ PHE A 64 8.833 -0.798 -5.419 1.00 9.59 C ATOM 501 HA PHE A 64 5.234 -3.991 -4.095 1.00 0.00 H ATOM 502 HB2 PHE A 64 6.946 -5.044 -6.365 1.00 0.00 H ATOM 503 HB3 PHE A 64 5.518 -3.998 -6.537 1.00 0.00 H ATOM 504 HD2 PHE A 64 9.066 -4.131 -5.916 1.00 0.00 H ATOM 505 HE2 PHE A 64 10.494 -2.138 -5.646 1.00 0.00 H ATOM 506 HZ PHE A 64 9.463 0.083 -5.297 1.00 0.00 H ATOM 507 HE1 PHE A 64 7.000 0.300 -5.225 1.00 0.00 H ATOM 508 HD1 PHE A 64 5.579 -1.694 -5.497 1.00 0.00 H ATOM 509 H PHE A 64 7.461 -5.992 -3.847 1.00 0.00 H ATOM 510 N ASN A 65 4.975 -6.964 -3.936 1.00 7.55 N ATOM 511 CA ASN A 65 4.024 -8.068 -3.900 1.00 8.49 C ATOM 512 C ASN A 65 3.801 -8.727 -5.260 1.00 8.73 C ATOM 513 O ASN A 65 2.718 -9.242 -5.536 1.00 8.58 O ATOM 514 CB ASN A 65 2.687 -7.586 -3.330 1.00 7.43 C ATOM 515 CG ASN A 65 2.853 -6.756 -2.068 1.00 8.74 C ATOM 516 OD1 ASN A 65 2.317 -5.653 -1.963 1.00 12.74 O ATOM 517 ND2 ASN A 65 3.601 -7.282 -1.108 1.00 7.49 N ATOM 518 HA ASN A 65 4.460 -8.830 -3.254 1.00 0.00 H ATOM 519 HB2 ASN A 65 2.185 -6.979 -4.083 1.00 0.00 H ATOM 520 HB3 ASN A 65 2.073 -8.456 -3.097 1.00 0.00 H ATOM 521 HD22 ASN A 65 4.035 -8.218 -1.241 1.00 0.00 H ATOM 522 HD21 ASN A 65 3.754 -6.759 -0.222 1.00 0.00 H ATOM 523 H ASN A 65 5.777 -6.970 -3.274 1.00 0.00 H ATOM 524 N LYS A 66 4.826 -8.713 -6.105 1.00 8.18 N ATOM 525 CA LYS A 66 4.706 -9.261 -7.452 1.00 10.22 C ATOM 526 C LYS A 66 4.861 -10.779 -7.497 1.00 9.85 C ATOM 527 O LYS A 66 5.636 -11.365 -6.741 1.00 8.55 O ATOM 528 CB LYS A 66 5.722 -8.606 -8.393 1.00 9.36 C ATOM 529 CG LYS A 66 5.527 -7.110 -8.571 1.00 9.25 C ATOM 530 CD LYS A 66 4.352 -6.806 -9.490 1.00 10.56 C ATOM 531 CE LYS A 66 4.027 -5.320 -9.510 1.00 13.98 C ATOM 532 NZ LYS A 66 3.252 -4.896 -8.312 1.00 11.91 N ATOM 533 HA LYS A 66 3.694 -9.032 -7.786 1.00 0.00 H ATOM 534 HB2 LYS A 66 6.721 -8.776 -7.991 1.00 0.00 H ATOM 535 HB3 LYS A 66 5.640 -9.081 -9.371 1.00 0.00 H ATOM 536 HG2 LYS A 66 5.341 -6.658 -7.597 1.00 0.00 H ATOM 537 HG3 LYS A 66 6.433 -6.683 -9.001 1.00 0.00 H ATOM 538 HD2 LYS A 66 4.601 -7.128 -10.501 1.00 0.00 H ATOM 539 HD3 LYS A 66 3.478 -7.355 -9.140 1.00 0.00 H ATOM 540 HE2 LYS A 66 3.441 -5.101 -10.403 1.00 0.00 H ATOM 541 HE3 LYS A 66 4.960 -4.757 -9.542 1.00 0.00 H ATOM 542 HZ1 LYS A 66 2.356 -5.422 -8.276 1.00 0.00 H ATOM 543 HZ2 LYS A 66 3.806 -5.094 -7.454 1.00 0.00 H ATOM 544 HZ3 LYS A 66 3.055 -3.877 -8.371 1.00 0.00 H ATOM 545 H LYS A 66 5.732 -8.303 -5.800 1.00 0.00 H ATOM 546 N SER A 67 4.106 -11.407 -8.392 1.00 9.86 N ATOM 547 CA SER A 67 4.282 -12.820 -8.680 1.00 10.25 C ATOM 548 C SER A 67 5.591 -12.971 -9.435 1.00 13.45 C ATOM 549 O SER A 67 6.158 -11.982 -9.902 1.00 9.57 O ATOM 550 CB SER A 67 3.128 -13.336 -9.537 1.00 13.09 C ATOM 551 OG SER A 67 3.027 -12.596 -10.741 1.00 11.94 O ATOM 552 HA SER A 67 4.298 -13.396 -7.755 1.00 0.00 H ATOM 553 HB2 SER A 67 2.197 -13.240 -8.979 1.00 0.00 H ATOM 554 HB3 SER A 67 3.301 -14.386 -9.775 1.00 0.00 H ATOM 555 HG SER A 67 2.274 -12.946 -11.280 1.00 0.00 H ATOM 556 H SER A 67 3.371 -10.874 -8.899 1.00 0.00 H ATOM 557 N ARG A 68 6.076 -14.202 -9.559 1.00 9.86 N ATOM 558 CA ARG A 68 7.310 -14.431 -10.296 1.00 11.53 C ATOM 559 C ARG A 68 7.190 -13.922 -11.730 1.00 11.92 C ATOM 560 O ARG A 68 8.080 -13.233 -12.220 1.00 12.12 O ATOM 561 CB ARG A 68 7.707 -15.909 -10.287 1.00 18.49 C ATOM 562 CG ARG A 68 9.105 -16.156 -10.845 1.00 18.33 C ATOM 563 CD ARG A 68 9.304 -17.597 -11.290 1.00 25.97 C ATOM 564 NE ARG A 68 8.910 -18.549 -10.257 1.00 27.32 N ATOM 565 CZ ARG A 68 9.344 -19.803 -10.189 1.00 27.34 C ATOM 566 NH1 ARG A 68 8.926 -20.595 -9.211 1.00 27.18 N ATOM 567 NH2 ARG A 68 10.198 -20.265 -11.091 1.00 20.90 N ATOM 568 HA ARG A 68 8.097 -13.870 -9.792 1.00 0.00 H ATOM 569 HB2 ARG A 68 7.674 -16.271 -9.259 1.00 0.00 H ATOM 570 HB3 ARG A 68 6.989 -16.465 -10.890 1.00 0.00 H ATOM 571 HG2 ARG A 68 9.262 -15.500 -11.701 1.00 0.00 H ATOM 572 HG3 ARG A 68 9.837 -15.924 -10.072 1.00 0.00 H ATOM 573 HD2 ARG A 68 10.357 -17.750 -11.526 1.00 0.00 H ATOM 574 HD3 ARG A 68 8.703 -17.776 -12.181 1.00 0.00 H ATOM 575 HE ARG A 68 8.246 -18.225 -9.526 1.00 0.00 H ATOM 576 HH12 ARG A 68 9.265 -21.577 -9.156 1.00 0.00 H ATOM 577 HH11 ARG A 68 8.260 -20.234 -8.499 1.00 0.00 H ATOM 578 HH22 ARG A 68 10.535 -21.247 -11.033 1.00 0.00 H ATOM 579 HH21 ARG A 68 10.532 -19.645 -11.857 1.00 0.00 H ATOM 580 H ARG A 68 5.573 -15.004 -9.128 1.00 0.00 H ATOM 581 N GLU A 69 6.090 -14.250 -12.402 1.00 12.85 N ATOM 582 CA GLU A 69 5.936 -13.845 -13.798 1.00 15.52 C ATOM 583 C GLU A 69 5.937 -12.323 -13.953 1.00 15.64 C ATOM 584 O GLU A 69 6.601 -11.788 -14.840 1.00 13.58 O ATOM 585 CB GLU A 69 4.688 -14.468 -14.448 1.00 21.82 C ATOM 586 CG GLU A 69 3.484 -13.540 -14.554 1.00 24.57 C ATOM 587 CD GLU A 69 2.357 -14.127 -15.390 1.00 34.69 C ATOM 588 OE1 GLU A 69 2.462 -14.121 -16.635 1.00 35.68 O ATOM 589 OE2 GLU A 69 1.358 -14.587 -14.798 1.00 32.31 O ATOM 590 HA GLU A 69 6.806 -14.231 -14.330 1.00 0.00 H ATOM 591 HB2 GLU A 69 4.956 -14.790 -15.454 1.00 0.00 H ATOM 592 HB3 GLU A 69 4.395 -15.335 -13.856 1.00 0.00 H ATOM 593 HG2 GLU A 69 3.107 -13.343 -13.551 1.00 0.00 H ATOM 594 HG3 GLU A 69 3.805 -12.604 -15.011 1.00 0.00 H ATOM 595 H GLU A 69 5.338 -14.795 -11.934 1.00 0.00 H ATOM 596 N ASP A 70 5.209 -11.626 -13.085 1.00 13.05 N ATOM 597 CA ASP A 70 5.103 -10.171 -13.183 1.00 12.79 C ATOM 598 C ASP A 70 6.414 -9.476 -12.812 1.00 12.31 C ATOM 599 O ASP A 70 6.801 -8.490 -13.438 1.00 12.52 O ATOM 600 CB ASP A 70 3.955 -9.643 -12.315 1.00 15.10 C ATOM 601 CG ASP A 70 2.583 -9.982 -12.878 1.00 16.00 C ATOM 602 OD1 ASP A 70 2.499 -10.438 -14.038 1.00 18.63 O ATOM 603 OD2 ASP A 70 1.584 -9.786 -12.154 1.00 13.39 O ATOM 604 HA ASP A 70 4.888 -9.937 -14.226 1.00 0.00 H ATOM 605 HB2 ASP A 70 4.041 -10.081 -11.320 1.00 0.00 H ATOM 606 HB3 ASP A 70 4.043 -8.559 -12.243 1.00 0.00 H ATOM 607 H ASP A 70 4.706 -12.125 -12.323 1.00 0.00 H ATOM 608 N ALA A 71 7.091 -9.993 -11.791 1.00 11.62 N ATOM 609 CA ALA A 71 8.370 -9.436 -11.359 1.00 12.77 C ATOM 610 C ALA A 71 9.411 -9.568 -12.464 1.00 12.16 C ATOM 611 O ALA A 71 10.172 -8.640 -12.735 1.00 11.61 O ATOM 612 CB ALA A 71 8.848 -10.128 -10.092 1.00 11.87 C ATOM 613 HA ALA A 71 8.230 -8.377 -11.143 1.00 0.00 H ATOM 614 HB1 ALA A 71 8.112 -9.984 -9.301 1.00 0.00 H ATOM 615 HB2 ALA A 71 8.971 -11.194 -10.286 1.00 0.00 H ATOM 616 HB3 ALA A 71 9.802 -9.701 -9.784 1.00 0.00 H ATOM 617 H ALA A 71 6.700 -10.815 -11.287 1.00 0.00 H ATOM 618 N THR A 72 9.435 -10.735 -13.097 1.00 14.33 N ATOM 619 CA THR A 72 10.322 -10.987 -14.224 1.00 11.22 C ATOM 620 C THR A 72 10.056 -10.003 -15.360 1.00 13.69 C ATOM 621 O THR A 72 10.974 -9.345 -15.849 1.00 14.30 O ATOM 622 CB THR A 72 10.165 -12.433 -14.736 1.00 15.17 C ATOM 623 OG1 THR A 72 10.657 -13.346 -13.746 1.00 16.98 O ATOM 624 CG2 THR A 72 10.937 -12.632 -16.028 1.00 12.52 C ATOM 625 HA THR A 72 11.345 -10.848 -13.875 1.00 0.00 H ATOM 626 HB THR A 72 9.108 -12.621 -14.926 1.00 0.00 H ATOM 627 HG1 THR A 72 10.140 -13.233 -12.909 1.00 0.00 H ATOM 628 HG23 THR A 72 10.565 -11.939 -16.783 1.00 0.00 H ATOM 629 HG21 THR A 72 11.996 -12.443 -15.850 1.00 0.00 H ATOM 630 HG22 THR A 72 10.803 -13.656 -16.376 1.00 0.00 H ATOM 631 H THR A 72 8.800 -11.494 -12.777 1.00 0.00 H ATOM 632 N ARG A 73 8.795 -9.904 -15.774 1.00 12.30 N ATOM 633 CA ARG A 73 8.406 -8.984 -16.837 1.00 13.78 C ATOM 634 C ARG A 73 8.936 -7.579 -16.570 1.00 14.22 C ATOM 635 O ARG A 73 9.608 -6.986 -17.413 1.00 13.97 O ATOM 636 CB ARG A 73 6.882 -8.949 -16.992 1.00 17.23 C ATOM 637 CG ARG A 73 6.384 -7.976 -18.052 1.00 19.44 C ATOM 638 CD ARG A 73 4.875 -8.066 -18.235 1.00 23.03 C ATOM 639 NE ARG A 73 4.171 -8.171 -16.959 1.00 27.97 N ATOM 640 CZ ARG A 73 4.021 -7.167 -16.102 1.00 25.89 C ATOM 641 NH1 ARG A 73 4.533 -5.974 -16.375 1.00 24.50 N ATOM 642 NH2 ARG A 73 3.364 -7.357 -14.966 1.00 19.23 N ATOM 643 HA ARG A 73 8.846 -9.347 -17.766 1.00 0.00 H ATOM 644 HB2 ARG A 73 6.542 -9.950 -17.260 1.00 0.00 H ATOM 645 HB3 ARG A 73 6.447 -8.663 -16.034 1.00 0.00 H ATOM 646 HG2 ARG A 73 6.644 -6.961 -17.750 1.00 0.00 H ATOM 647 HG3 ARG A 73 6.869 -8.207 -19.000 1.00 0.00 H ATOM 648 HD2 ARG A 73 4.646 -8.946 -18.837 1.00 0.00 H ATOM 649 HD3 ARG A 73 4.530 -7.172 -18.754 1.00 0.00 H ATOM 650 HE ARG A 73 3.760 -9.092 -16.705 1.00 0.00 H ATOM 651 HH12 ARG A 73 4.414 -5.190 -15.702 1.00 0.00 H ATOM 652 HH11 ARG A 73 5.054 -5.822 -17.262 1.00 0.00 H ATOM 653 HH22 ARG A 73 3.247 -6.571 -14.295 1.00 0.00 H ATOM 654 HH21 ARG A 73 2.966 -8.292 -14.746 1.00 0.00 H ATOM 655 H ARG A 73 8.068 -10.498 -15.328 1.00 0.00 H ATOM 656 N ILE A 74 8.632 -7.057 -15.388 1.00 11.29 N ATOM 657 CA ILE A 74 9.029 -5.702 -15.024 1.00 9.82 C ATOM 658 C ILE A 74 10.547 -5.551 -14.991 1.00 8.78 C ATOM 659 O ILE A 74 11.089 -4.542 -15.442 1.00 10.56 O ATOM 660 CB ILE A 74 8.436 -5.290 -13.664 1.00 11.64 C ATOM 661 CG1 ILE A 74 6.908 -5.340 -13.718 1.00 13.24 C ATOM 662 CG2 ILE A 74 8.914 -3.900 -13.274 1.00 11.57 C ATOM 663 CD1 ILE A 74 6.238 -5.076 -12.387 1.00 12.16 C ATOM 664 HA ILE A 74 8.632 -5.041 -15.794 1.00 0.00 H ATOM 665 HB ILE A 74 8.779 -5.993 -12.905 1.00 0.00 H ATOM 666 HG12 ILE A 74 6.565 -4.589 -14.430 1.00 0.00 H ATOM 667 HG13 ILE A 74 6.609 -6.330 -14.063 1.00 0.00 H ATOM 668 HD11 ILE A 74 6.560 -5.826 -11.664 1.00 0.00 H ATOM 669 HD12 ILE A 74 6.516 -4.084 -12.032 1.00 0.00 H ATOM 670 HD13 ILE A 74 5.156 -5.129 -12.509 1.00 0.00 H ATOM 671 HG21 ILE A 74 10.002 -3.898 -13.202 1.00 0.00 H ATOM 672 HG22 ILE A 74 8.597 -3.183 -14.031 1.00 0.00 H ATOM 673 HG23 ILE A 74 8.484 -3.627 -12.310 1.00 0.00 H ATOM 674 H ILE A 74 8.097 -7.629 -14.704 1.00 0.00 H ATOM 675 N MET A 75 11.228 -6.562 -14.461 1.00 9.90 N ATOM 676 CA MET A 75 12.685 -6.550 -14.387 1.00 9.93 C ATOM 677 C MET A 75 13.303 -6.443 -15.778 1.00 11.26 C ATOM 678 O MET A 75 14.207 -5.640 -16.005 1.00 11.28 O ATOM 679 CB MET A 75 13.196 -7.802 -13.667 1.00 10.63 C ATOM 680 CG MET A 75 14.713 -7.902 -13.568 1.00 11.21 C ATOM 681 SD MET A 75 15.485 -8.639 -15.024 1.00 10.07 S ATOM 682 CE MET A 75 14.788 -10.289 -14.981 1.00 10.31 C ATOM 683 HA MET A 75 12.987 -5.673 -13.815 1.00 0.00 H ATOM 684 HB2 MET A 75 12.788 -7.803 -12.656 1.00 0.00 H ATOM 685 HB3 MET A 75 12.832 -8.677 -14.206 1.00 0.00 H ATOM 686 HG2 MET A 75 14.963 -8.511 -12.699 1.00 0.00 H ATOM 687 HG3 MET A 75 15.117 -6.898 -13.434 1.00 0.00 H ATOM 688 HE1 MET A 75 15.067 -10.776 -14.046 1.00 0.00 H ATOM 689 HE2 MET A 75 13.702 -10.225 -15.049 1.00 0.00 H ATOM 690 HE3 MET A 75 15.172 -10.866 -15.822 1.00 0.00 H ATOM 691 H MET A 75 10.709 -7.383 -14.089 1.00 0.00 H ATOM 692 N LEU A 76 12.807 -7.255 -16.707 1.00 12.12 N ATOM 693 CA LEU A 76 13.308 -7.241 -18.077 1.00 13.55 C ATOM 694 C LEU A 76 12.991 -5.920 -18.771 1.00 14.94 C ATOM 695 O LEU A 76 13.749 -5.462 -19.626 1.00 15.51 O ATOM 696 CB LEU A 76 12.741 -8.419 -18.874 1.00 13.10 C ATOM 697 CG LEU A 76 13.273 -9.799 -18.476 1.00 12.45 C ATOM 698 CD1 LEU A 76 12.517 -10.908 -19.194 1.00 10.65 C ATOM 699 CD2 LEU A 76 14.768 -9.897 -18.750 1.00 10.49 C ATOM 700 HA LEU A 76 14.392 -7.343 -18.034 1.00 0.00 H ATOM 701 HB2 LEU A 76 11.659 -8.425 -18.742 1.00 0.00 H ATOM 702 HB3 LEU A 76 12.977 -8.258 -19.926 1.00 0.00 H ATOM 703 HG LEU A 76 13.111 -9.926 -17.406 1.00 0.00 H ATOM 704 HD21 LEU A 76 14.952 -9.740 -19.813 1.00 0.00 H ATOM 705 HD22 LEU A 76 15.293 -9.136 -18.173 1.00 0.00 H ATOM 706 HD23 LEU A 76 15.125 -10.885 -18.460 1.00 0.00 H ATOM 707 HD11 LEU A 76 11.460 -10.853 -18.933 1.00 0.00 H ATOM 708 HD12 LEU A 76 12.633 -10.787 -20.271 1.00 0.00 H ATOM 709 HD13 LEU A 76 12.918 -11.875 -18.890 1.00 0.00 H ATOM 710 H LEU A 76 12.045 -7.915 -16.451 1.00 0.00 H ATOM 711 N HIS A 77 11.870 -5.310 -18.398 1.00 13.12 N ATOM 712 CA HIS A 77 11.496 -4.012 -18.945 1.00 14.95 C ATOM 713 C HIS A 77 12.482 -2.946 -18.478 1.00 14.45 C ATOM 714 O HIS A 77 12.843 -2.045 -19.235 1.00 15.06 O ATOM 715 CB HIS A 77 10.071 -3.641 -18.530 1.00 18.36 C ATOM 716 CG HIS A 77 9.534 -2.434 -19.231 1.00 20.71 C ATOM 717 ND1 HIS A 77 8.851 -2.511 -20.427 1.00 18.43 N ATOM 718 CD2 HIS A 77 9.580 -1.120 -18.909 1.00 18.95 C ATOM 719 CE1 HIS A 77 8.499 -1.295 -20.810 1.00 19.62 C ATOM 720 NE2 HIS A 77 8.932 -0.434 -19.906 1.00 19.16 N ATOM 721 HA HIS A 77 11.528 -4.070 -20.033 1.00 0.00 H ATOM 722 HB2 HIS A 77 9.418 -4.486 -18.750 1.00 0.00 H ATOM 723 HB3 HIS A 77 10.064 -3.447 -17.457 1.00 0.00 H ATOM 724 HD2 HIS A 77 10.045 -0.687 -18.023 1.00 0.00 H ATOM 725 HE1 HIS A 77 7.946 -1.046 -21.716 1.00 0.00 H ATOM 726 H HIS A 77 11.248 -5.768 -17.702 1.00 0.00 H ATOM 727 N VAL A 78 12.914 -3.055 -17.226 1.00 12.34 N ATOM 728 CA VAL A 78 13.930 -2.161 -16.685 1.00 12.01 C ATOM 729 C VAL A 78 15.247 -2.346 -17.431 1.00 10.46 C ATOM 730 O VAL A 78 15.876 -1.378 -17.858 1.00 10.43 O ATOM 731 CB VAL A 78 14.170 -2.423 -15.186 1.00 9.78 C ATOM 732 CG1 VAL A 78 15.339 -1.587 -14.682 1.00 9.60 C ATOM 733 CG2 VAL A 78 12.911 -2.133 -14.384 1.00 11.31 C ATOM 734 HA VAL A 78 13.567 -1.141 -16.812 1.00 0.00 H ATOM 735 HB VAL A 78 14.420 -3.476 -15.053 1.00 0.00 H ATOM 736 HG11 VAL A 78 16.239 -1.851 -15.238 1.00 0.00 H ATOM 737 HG12 VAL A 78 15.117 -0.530 -14.827 1.00 0.00 H ATOM 738 HG13 VAL A 78 15.495 -1.784 -13.621 1.00 0.00 H ATOM 739 HG21 VAL A 78 12.628 -1.089 -14.520 1.00 0.00 H ATOM 740 HG22 VAL A 78 12.104 -2.778 -14.731 1.00 0.00 H ATOM 741 HG23 VAL A 78 13.102 -2.324 -13.328 1.00 0.00 H ATOM 742 H VAL A 78 12.517 -3.798 -16.616 1.00 0.00 H ATOM 743 N HIS A 79 15.654 -3.601 -17.586 1.00 11.55 N ATOM 744 CA HIS A 79 16.920 -3.932 -18.230 1.00 14.01 C ATOM 745 C HIS A 79 16.963 -3.491 -19.690 1.00 12.53 C ATOM 746 O HIS A 79 18.003 -3.054 -20.183 1.00 14.98 O ATOM 747 CB HIS A 79 17.184 -5.437 -18.130 1.00 15.05 C ATOM 748 CG HIS A 79 18.436 -5.880 -18.820 1.00 16.17 C ATOM 749 ND1 HIS A 79 19.674 -5.834 -18.218 1.00 14.75 N ATOM 750 CD2 HIS A 79 18.640 -6.383 -20.061 1.00 14.69 C ATOM 751 CE1 HIS A 79 20.588 -6.287 -19.057 1.00 16.99 C ATOM 752 NE2 HIS A 79 19.986 -6.627 -20.183 1.00 14.26 N ATOM 753 HA HIS A 79 17.702 -3.385 -17.703 1.00 0.00 H ATOM 754 HB2 HIS A 79 17.260 -5.703 -17.076 1.00 0.00 H ATOM 755 HB3 HIS A 79 16.341 -5.964 -18.576 1.00 0.00 H ATOM 756 HD2 HIS A 79 17.879 -6.561 -20.820 1.00 0.00 H ATOM 757 HE1 HIS A 79 21.656 -6.367 -18.855 1.00 0.00 H ATOM 758 H HIS A 79 15.050 -4.372 -17.237 1.00 0.00 H ATOM 759 N GLN A 80 15.830 -3.601 -20.375 1.00 12.60 N ATOM 760 CA GLN A 80 15.776 -3.325 -21.808 1.00 17.43 C ATOM 761 C GLN A 80 15.365 -1.891 -22.137 1.00 19.56 C ATOM 762 O GLN A 80 15.900 -1.284 -23.064 1.00 18.90 O ATOM 763 CB GLN A 80 14.837 -4.313 -22.506 1.00 16.54 C ATOM 764 CG GLN A 80 15.381 -5.730 -22.583 1.00 19.64 C ATOM 765 CD GLN A 80 14.403 -6.696 -23.217 1.00 22.58 C ATOM 766 OE1 GLN A 80 13.290 -6.878 -22.729 1.00 21.46 O ATOM 767 NE2 GLN A 80 14.817 -7.328 -24.309 1.00 24.32 N ATOM 768 HA GLN A 80 16.792 -3.451 -22.181 1.00 0.00 H ATOM 769 HB2 GLN A 80 13.894 -4.336 -21.959 1.00 0.00 H ATOM 770 HB3 GLN A 80 14.658 -3.958 -23.521 1.00 0.00 H ATOM 771 HG2 GLN A 80 16.296 -5.721 -23.175 1.00 0.00 H ATOM 772 HG3 GLN A 80 15.606 -6.073 -21.573 1.00 0.00 H ATOM 773 HE22 GLN A 80 15.768 -7.143 -24.688 1.00 0.00 H ATOM 774 HE21 GLN A 80 14.190 -8.008 -24.785 1.00 0.00 H ATOM 775 H GLN A 80 14.962 -3.890 -19.880 1.00 0.00 H ATOM 776 N ASN A 81 14.415 -1.355 -21.378 1.00 14.39 N ATOM 777 CA ASN A 81 13.877 -0.025 -21.653 1.00 16.84 C ATOM 778 C ASN A 81 14.475 1.079 -20.784 1.00 13.41 C ATOM 779 O ASN A 81 14.299 2.263 -21.068 1.00 16.33 O ATOM 780 CB ASN A 81 12.351 -0.031 -21.531 1.00 16.84 C ATOM 781 CG ASN A 81 11.685 -0.873 -22.603 1.00 22.69 C ATOM 782 OD1 ASN A 81 11.030 -1.871 -22.306 1.00 30.11 O ATOM 783 ND2 ASN A 81 11.859 -0.479 -23.858 1.00 23.75 N ATOM 784 HA ASN A 81 14.167 0.209 -22.677 1.00 0.00 H ATOM 785 HB2 ASN A 81 12.080 -0.431 -20.554 1.00 0.00 H ATOM 786 HB3 ASN A 81 11.989 0.994 -21.616 1.00 0.00 H ATOM 787 HD22 ASN A 81 12.421 0.372 -24.063 1.00 0.00 H ATOM 788 HD21 ASN A 81 11.433 -1.021 -24.637 1.00 0.00 H ATOM 789 H ASN A 81 14.046 -1.895 -20.569 1.00 0.00 H ATOM 790 N GLY A 82 15.178 0.689 -19.725 1.00 13.57 N ATOM 791 CA GLY A 82 15.858 1.647 -18.870 1.00 11.50 C ATOM 792 C GLY A 82 15.062 2.067 -17.649 1.00 11.91 C ATOM 793 O GLY A 82 15.604 2.678 -16.728 1.00 12.06 O ATOM 794 HA3 GLY A 82 16.075 2.538 -19.460 1.00 0.00 H ATOM 795 HA2 GLY A 82 16.793 1.200 -18.532 1.00 0.00 H ATOM 796 H GLY A 82 15.243 -0.325 -19.504 1.00 0.00 H ATOM 797 N VAL A 83 13.774 1.742 -17.642 1.00 11.21 N ATOM 798 CA VAL A 83 12.898 2.077 -16.524 1.00 11.43 C ATOM 799 C VAL A 83 11.690 1.145 -16.503 1.00 12.45 C ATOM 800 O VAL A 83 11.251 0.668 -17.548 1.00 13.72 O ATOM 801 CB VAL A 83 12.429 3.548 -16.595 1.00 17.28 C ATOM 802 CG1 VAL A 83 11.876 3.866 -17.975 1.00 16.34 C ATOM 803 CG2 VAL A 83 11.397 3.841 -15.514 1.00 14.55 C ATOM 804 HA VAL A 83 13.468 1.949 -15.604 1.00 0.00 H ATOM 805 HB VAL A 83 13.291 4.191 -16.417 1.00 0.00 H ATOM 806 HG11 VAL A 83 12.653 3.706 -18.722 1.00 0.00 H ATOM 807 HG12 VAL A 83 11.028 3.213 -18.185 1.00 0.00 H ATOM 808 HG13 VAL A 83 11.551 4.906 -18.004 1.00 0.00 H ATOM 809 HG21 VAL A 83 10.534 3.190 -15.652 1.00 0.00 H ATOM 810 HG22 VAL A 83 11.838 3.660 -14.534 1.00 0.00 H ATOM 811 HG23 VAL A 83 11.083 4.882 -15.586 1.00 0.00 H ATOM 812 H VAL A 83 13.378 1.233 -18.458 1.00 0.00 H ATOM 813 N GLY A 84 11.164 0.877 -15.311 1.00 11.57 N ATOM 814 CA GLY A 84 10.014 0.003 -15.167 1.00 13.61 C ATOM 815 C GLY A 84 9.080 0.434 -14.053 1.00 12.07 C ATOM 816 O GLY A 84 9.524 0.882 -12.996 1.00 11.63 O ATOM 817 HA3 GLY A 84 10.368 -1.006 -14.954 1.00 0.00 H ATOM 818 HA2 GLY A 84 9.459 0.001 -16.105 1.00 0.00 H ATOM 819 H GLY A 84 11.587 1.304 -14.462 1.00 0.00 H ATOM 820 N VAL A 85 7.779 0.299 -14.291 1.00 12.64 N ATOM 821 CA VAL A 85 6.775 0.671 -13.299 1.00 11.82 C ATOM 822 C VAL A 85 6.508 -0.481 -12.336 1.00 11.28 C ATOM 823 O VAL A 85 6.066 -1.555 -12.744 1.00 13.24 O ATOM 824 CB VAL A 85 5.456 1.104 -13.966 1.00 10.78 C ATOM 825 CG1 VAL A 85 4.445 1.531 -12.913 1.00 12.80 C ATOM 826 CG2 VAL A 85 5.710 2.229 -14.956 1.00 15.66 C ATOM 827 HA VAL A 85 7.174 1.518 -12.740 1.00 0.00 H ATOM 828 HB VAL A 85 5.044 0.254 -14.510 1.00 0.00 H ATOM 829 HG11 VAL A 85 4.247 0.695 -12.242 1.00 0.00 H ATOM 830 HG12 VAL A 85 4.847 2.369 -12.343 1.00 0.00 H ATOM 831 HG13 VAL A 85 3.519 1.834 -13.402 1.00 0.00 H ATOM 832 HG21 VAL A 85 6.141 3.082 -14.432 1.00 0.00 H ATOM 833 HG22 VAL A 85 6.402 1.885 -15.725 1.00 0.00 H ATOM 834 HG23 VAL A 85 4.768 2.524 -15.419 1.00 0.00 H ATOM 835 H VAL A 85 7.469 -0.082 -15.208 1.00 0.00 H ATOM 836 N CYS A 86 6.779 -0.249 -11.055 1.00 7.62 N ATOM 837 CA CYS A 86 6.649 -1.286 -10.039 1.00 10.63 C ATOM 838 C CYS A 86 5.220 -1.418 -9.526 1.00 10.34 C ATOM 839 O CYS A 86 4.813 -2.485 -9.069 1.00 11.77 O ATOM 840 CB CYS A 86 7.592 -1.004 -8.869 1.00 10.58 C ATOM 841 SG CYS A 86 9.326 -0.839 -9.337 1.00 9.92 S ATOM 842 HA CYS A 86 6.919 -2.230 -10.511 1.00 0.00 H ATOM 843 HB2 CYS A 86 7.507 -1.824 -8.156 1.00 0.00 H ATOM 844 HB3 CYS A 86 7.277 -0.076 -8.392 1.00 0.00 H ATOM 845 HG CYS A 86 10.083 -0.587 -8.211 1.00 0.00 H ATOM 846 H CYS A 86 7.093 0.700 -10.770 1.00 0.00 H ATOM 847 N GLY A 87 4.465 -0.327 -9.595 1.00 9.07 N ATOM 848 CA GLY A 87 3.090 -0.324 -9.133 1.00 9.72 C ATOM 849 C GLY A 87 2.593 1.071 -8.816 1.00 9.82 C ATOM 850 O GLY A 87 3.346 2.041 -8.897 1.00 10.03 O ATOM 851 HA3 GLY A 87 3.021 -0.934 -8.232 1.00 0.00 H ATOM 852 HA2 GLY A 87 2.458 -0.753 -9.910 1.00 0.00 H ATOM 853 H GLY A 87 4.870 0.546 -9.990 1.00 0.00 H ATOM 854 N VAL A 88 1.317 1.171 -8.458 1.00 8.84 N ATOM 855 CA VAL A 88 0.715 2.449 -8.100 1.00 8.21 C ATOM 856 C VAL A 88 0.091 2.366 -6.712 1.00 8.74 C ATOM 857 O VAL A 88 -0.730 1.490 -6.445 1.00 7.12 O ATOM 858 CB VAL A 88 -0.363 2.869 -9.116 1.00 6.69 C ATOM 859 CG1 VAL A 88 -1.079 4.123 -8.643 1.00 8.88 C ATOM 860 CG2 VAL A 88 0.257 3.085 -10.489 1.00 10.61 C ATOM 861 HA VAL A 88 1.507 3.198 -8.106 1.00 0.00 H ATOM 862 HB VAL A 88 -1.097 2.068 -9.196 1.00 0.00 H ATOM 863 HG11 VAL A 88 -1.554 3.928 -7.682 1.00 0.00 H ATOM 864 HG12 VAL A 88 -0.358 4.933 -8.535 1.00 0.00 H ATOM 865 HG13 VAL A 88 -1.837 4.405 -9.374 1.00 0.00 H ATOM 866 HG21 VAL A 88 1.011 3.869 -10.426 1.00 0.00 H ATOM 867 HG22 VAL A 88 0.722 2.158 -10.826 1.00 0.00 H ATOM 868 HG23 VAL A 88 -0.519 3.381 -11.194 1.00 0.00 H ATOM 869 H VAL A 88 0.731 0.312 -8.433 1.00 0.00 H ATOM 870 N TYR A 89 0.483 3.282 -5.831 1.00 6.88 N ATOM 871 CA TYR A 89 0.019 3.259 -4.449 1.00 7.08 C ATOM 872 C TYR A 89 -0.287 4.662 -3.939 1.00 7.80 C ATOM 873 O TYR A 89 -0.062 5.650 -4.636 1.00 6.21 O ATOM 874 CB TYR A 89 1.075 2.613 -3.550 1.00 8.92 C ATOM 875 CG TYR A 89 1.677 1.349 -4.120 1.00 10.59 C ATOM 876 CD1 TYR A 89 1.135 0.105 -3.828 1.00 9.85 C ATOM 877 CD2 TYR A 89 2.789 1.401 -4.951 1.00 8.96 C ATOM 878 CE1 TYR A 89 1.682 -1.052 -4.349 1.00 10.39 C ATOM 879 CE2 TYR A 89 3.343 0.249 -5.478 1.00 10.08 C ATOM 880 CZ TYR A 89 2.785 -0.974 -5.173 1.00 9.01 C ATOM 881 OH TYR A 89 3.334 -2.123 -5.694 1.00 10.66 O ATOM 882 HA TYR A 89 -0.900 2.674 -4.420 1.00 0.00 H ATOM 883 HB3 TYR A 89 0.610 2.371 -2.594 1.00 0.00 H ATOM 884 HB2 TYR A 89 1.877 3.334 -3.391 1.00 0.00 H ATOM 885 HD2 TYR A 89 3.233 2.367 -5.192 1.00 0.00 H ATOM 886 HE2 TYR A 89 4.215 0.307 -6.130 1.00 0.00 H ATOM 887 HE1 TYR A 89 1.244 -2.021 -4.110 1.00 0.00 H ATOM 888 HD1 TYR A 89 0.263 0.040 -3.177 1.00 0.00 H ATOM 889 HH TYR A 89 2.817 -2.907 -5.379 1.00 0.00 H ATOM 890 H TYR A 89 1.136 4.032 -6.135 1.00 0.00 H ATOM 891 N THR A 90 -0.804 4.742 -2.718 1.00 6.34 N ATOM 892 CA THR A 90 -1.005 6.029 -2.067 1.00 7.52 C ATOM 893 C THR A 90 0.354 6.680 -1.847 1.00 7.29 C ATOM 894 O THR A 90 1.385 6.010 -1.917 1.00 6.11 O ATOM 895 CB THR A 90 -1.711 5.875 -0.711 1.00 8.52 C ATOM 896 OG1 THR A 90 -0.878 5.122 0.181 1.00 8.61 O ATOM 897 CG2 THR A 90 -3.042 5.161 -0.881 1.00 8.09 C ATOM 898 HA THR A 90 -1.636 6.644 -2.708 1.00 0.00 H ATOM 899 HB THR A 90 -1.894 6.867 -0.298 1.00 0.00 H ATOM 900 HG1 THR A 90 -1.335 5.024 1.054 1.00 0.00 H ATOM 901 HG23 THR A 90 -3.676 5.733 -1.559 1.00 0.00 H ATOM 902 HG21 THR A 90 -2.870 4.167 -1.294 1.00 0.00 H ATOM 903 HG22 THR A 90 -3.532 5.073 0.089 1.00 0.00 H ATOM 904 H THR A 90 -1.070 3.870 -2.218 1.00 0.00 H ATOM 905 N TYR A 91 0.359 7.982 -1.584 1.00 5.74 N ATOM 906 CA TYR A 91 1.613 8.695 -1.374 1.00 7.90 C ATOM 907 C TYR A 91 2.437 8.061 -0.254 1.00 5.55 C ATOM 908 O TYR A 91 3.630 7.808 -0.420 1.00 8.14 O ATOM 909 CB TYR A 91 1.368 10.176 -1.076 1.00 7.39 C ATOM 910 CG TYR A 91 2.618 11.016 -1.204 1.00 7.87 C ATOM 911 CD1 TYR A 91 2.781 11.900 -2.263 1.00 8.20 C ATOM 912 CD2 TYR A 91 3.648 10.907 -0.279 1.00 6.72 C ATOM 913 CE1 TYR A 91 3.928 12.662 -2.387 1.00 8.06 C ATOM 914 CE2 TYR A 91 4.797 11.660 -0.398 1.00 6.61 C ATOM 915 CZ TYR A 91 4.932 12.537 -1.451 1.00 9.84 C ATOM 916 OH TYR A 91 6.079 13.288 -1.565 1.00 10.80 O ATOM 917 HA TYR A 91 2.182 8.620 -2.301 1.00 0.00 H ATOM 918 HB3 TYR A 91 0.989 10.268 -0.058 1.00 0.00 H ATOM 919 HB2 TYR A 91 0.622 10.553 -1.776 1.00 0.00 H ATOM 920 HD2 TYR A 91 3.546 10.214 0.556 1.00 0.00 H ATOM 921 HE2 TYR A 91 5.595 11.561 0.338 1.00 0.00 H ATOM 922 HE1 TYR A 91 4.038 13.357 -3.219 1.00 0.00 H ATOM 923 HD1 TYR A 91 1.992 11.995 -3.009 1.00 0.00 H ATOM 924 HH TYR A 91 6.860 12.685 -1.648 1.00 0.00 H ATOM 925 H TYR A 91 -0.542 8.499 -1.527 1.00 0.00 H ATOM 926 N GLU A 92 1.796 7.806 0.883 1.00 6.77 N ATOM 927 CA GLU A 92 2.477 7.222 2.035 1.00 8.36 C ATOM 928 C GLU A 92 3.142 5.894 1.686 1.00 7.82 C ATOM 929 O GLU A 92 4.320 5.684 1.973 1.00 8.37 O ATOM 930 CB GLU A 92 1.496 7.015 3.189 1.00 7.49 C ATOM 931 CG GLU A 92 0.804 8.283 3.654 1.00 10.06 C ATOM 932 CD GLU A 92 -0.325 8.003 4.625 1.00 11.68 C ATOM 933 OE1 GLU A 92 -0.053 7.473 5.721 1.00 13.33 O ATOM 934 OE2 GLU A 92 -1.485 8.317 4.291 1.00 16.10 O ATOM 935 HA GLU A 92 3.255 7.923 2.339 1.00 0.00 H ATOM 936 HB2 GLU A 92 0.732 6.308 2.866 1.00 0.00 H ATOM 937 HB3 GLU A 92 2.044 6.596 4.033 1.00 0.00 H ATOM 938 HG2 GLU A 92 1.538 8.922 4.145 1.00 0.00 H ATOM 939 HG3 GLU A 92 0.398 8.799 2.784 1.00 0.00 H ATOM 940 H GLU A 92 0.783 8.029 0.953 1.00 0.00 H ATOM 941 N VAL A 93 2.377 5.001 1.068 1.00 5.85 N ATOM 942 CA VAL A 93 2.876 3.678 0.712 1.00 6.30 C ATOM 943 C VAL A 93 4.008 3.759 -0.311 1.00 8.35 C ATOM 944 O VAL A 93 5.012 3.056 -0.195 1.00 7.54 O ATOM 945 CB VAL A 93 1.746 2.778 0.176 1.00 8.51 C ATOM 946 CG1 VAL A 93 2.308 1.466 -0.344 1.00 9.88 C ATOM 947 CG2 VAL A 93 0.713 2.527 1.265 1.00 7.89 C ATOM 948 HA VAL A 93 3.271 3.234 1.625 1.00 0.00 H ATOM 949 HB VAL A 93 1.258 3.289 -0.654 1.00 0.00 H ATOM 950 HG11 VAL A 93 3.012 1.668 -1.151 1.00 0.00 H ATOM 951 HG12 VAL A 93 2.821 0.946 0.465 1.00 0.00 H ATOM 952 HG13 VAL A 93 1.493 0.846 -0.718 1.00 0.00 H ATOM 953 HG21 VAL A 93 1.192 2.034 2.111 1.00 0.00 H ATOM 954 HG22 VAL A 93 0.290 3.478 1.589 1.00 0.00 H ATOM 955 HG23 VAL A 93 -0.079 1.890 0.872 1.00 0.00 H ATOM 956 H VAL A 93 1.396 5.252 0.832 1.00 0.00 H ATOM 957 N ALA A 94 3.844 4.623 -1.308 1.00 6.16 N ATOM 958 CA ALA A 94 4.866 4.811 -2.330 1.00 7.81 C ATOM 959 C ALA A 94 6.166 5.305 -1.705 1.00 8.85 C ATOM 960 O ALA A 94 7.241 4.774 -1.982 1.00 6.64 O ATOM 961 CB ALA A 94 4.382 5.783 -3.395 1.00 6.60 C ATOM 962 HA ALA A 94 5.058 3.849 -2.804 1.00 0.00 H ATOM 963 HB1 ALA A 94 3.481 5.388 -3.863 1.00 0.00 H ATOM 964 HB2 ALA A 94 4.161 6.745 -2.933 1.00 0.00 H ATOM 965 HB3 ALA A 94 5.159 5.910 -4.149 1.00 0.00 H ATOM 966 H ALA A 94 2.966 5.178 -1.360 1.00 0.00 H ATOM 967 N GLU A 95 6.057 6.324 -0.859 1.00 6.35 N ATOM 968 CA GLU A 95 7.213 6.866 -0.155 1.00 6.57 C ATOM 969 C GLU A 95 7.909 5.781 0.662 1.00 5.98 C ATOM 970 O GLU A 95 9.137 5.717 0.710 1.00 5.79 O ATOM 971 CB GLU A 95 6.790 8.032 0.744 1.00 7.17 C ATOM 972 CG GLU A 95 7.883 8.544 1.667 1.00 7.86 C ATOM 973 CD GLU A 95 7.539 9.886 2.288 1.00 7.81 C ATOM 974 OE1 GLU A 95 7.690 10.918 1.601 1.00 8.26 O ATOM 975 OE2 GLU A 95 7.125 9.911 3.465 1.00 8.38 O ATOM 976 HA GLU A 95 7.922 7.238 -0.895 1.00 0.00 H ATOM 977 HB2 GLU A 95 6.469 8.855 0.106 1.00 0.00 H ATOM 978 HB3 GLU A 95 5.952 7.702 1.358 1.00 0.00 H ATOM 979 HG2 GLU A 95 8.035 7.818 2.466 1.00 0.00 H ATOM 980 HG3 GLU A 95 8.804 8.650 1.094 1.00 0.00 H ATOM 981 H GLU A 95 5.121 6.747 -0.695 1.00 0.00 H ATOM 982 N THR A 96 7.116 4.923 1.294 1.00 8.27 N ATOM 983 CA THR A 96 7.654 3.825 2.089 1.00 8.03 C ATOM 984 C THR A 96 8.399 2.813 1.223 1.00 7.43 C ATOM 985 O THR A 96 9.541 2.459 1.513 1.00 7.74 O ATOM 986 CB THR A 96 6.544 3.097 2.871 1.00 8.97 C ATOM 987 OG1 THR A 96 5.995 3.977 3.859 1.00 9.56 O ATOM 988 CG2 THR A 96 7.100 1.858 3.558 1.00 11.61 C ATOM 989 HA THR A 96 8.355 4.271 2.794 1.00 0.00 H ATOM 990 HB THR A 96 5.766 2.795 2.170 1.00 0.00 H ATOM 991 HG1 THR A 96 5.615 4.775 3.414 1.00 0.00 H ATOM 992 HG23 THR A 96 7.519 1.186 2.809 1.00 0.00 H ATOM 993 HG21 THR A 96 7.880 2.153 4.260 1.00 0.00 H ATOM 994 HG22 THR A 96 6.298 1.351 4.095 1.00 0.00 H ATOM 995 H THR A 96 6.085 5.037 1.220 1.00 0.00 H ATOM 996 N LYS A 97 7.748 2.353 0.159 1.00 6.45 N ATOM 997 CA LYS A 97 8.326 1.327 -0.702 1.00 6.54 C ATOM 998 C LYS A 97 9.591 1.804 -1.413 1.00 6.91 C ATOM 999 O LYS A 97 10.554 1.050 -1.544 1.00 7.07 O ATOM 1000 CB LYS A 97 7.293 0.817 -1.711 1.00 7.03 C ATOM 1001 CG LYS A 97 6.120 0.094 -1.065 1.00 8.64 C ATOM 1002 CD LYS A 97 5.194 -0.517 -2.102 1.00 8.78 C ATOM 1003 CE LYS A 97 4.079 -1.316 -1.443 1.00 10.39 C ATOM 1004 NZ LYS A 97 4.607 -2.386 -0.551 1.00 9.73 N ATOM 1005 HA LYS A 97 8.620 0.500 -0.055 1.00 0.00 H ATOM 1006 HB2 LYS A 97 6.908 1.669 -2.271 1.00 0.00 H ATOM 1007 HB3 LYS A 97 7.789 0.128 -2.395 1.00 0.00 H ATOM 1008 HG2 LYS A 97 6.504 -0.699 -0.423 1.00 0.00 H ATOM 1009 HG3 LYS A 97 5.555 0.805 -0.463 1.00 0.00 H ATOM 1010 HD2 LYS A 97 4.754 0.281 -2.700 1.00 0.00 H ATOM 1011 HD3 LYS A 97 5.771 -1.178 -2.749 1.00 0.00 H ATOM 1012 HE2 LYS A 97 3.469 -1.776 -2.221 1.00 0.00 H ATOM 1013 HE3 LYS A 97 3.463 -0.638 -0.852 1.00 0.00 H ATOM 1014 HZ1 LYS A 97 5.191 -3.042 -1.107 1.00 0.00 H ATOM 1015 HZ2 LYS A 97 5.185 -1.956 0.199 1.00 0.00 H ATOM 1016 HZ3 LYS A 97 3.812 -2.904 -0.124 1.00 0.00 H ATOM 1017 H LYS A 97 6.806 2.733 -0.064 1.00 0.00 H ATOM 1018 N VAL A 98 9.590 3.053 -1.866 1.00 6.43 N ATOM 1019 CA VAL A 98 10.779 3.624 -2.490 1.00 7.41 C ATOM 1020 C VAL A 98 11.959 3.566 -1.526 1.00 6.48 C ATOM 1021 O VAL A 98 13.059 3.162 -1.901 1.00 7.64 O ATOM 1022 CB VAL A 98 10.553 5.079 -2.943 1.00 8.24 C ATOM 1023 CG1 VAL A 98 11.878 5.731 -3.314 1.00 7.17 C ATOM 1024 CG2 VAL A 98 9.585 5.126 -4.116 1.00 8.34 C ATOM 1025 HA VAL A 98 10.996 3.028 -3.376 1.00 0.00 H ATOM 1026 HB VAL A 98 10.115 5.637 -2.115 1.00 0.00 H ATOM 1027 HG11 VAL A 98 12.539 5.727 -2.447 1.00 0.00 H ATOM 1028 HG12 VAL A 98 12.341 5.173 -4.128 1.00 0.00 H ATOM 1029 HG13 VAL A 98 11.700 6.758 -3.632 1.00 0.00 H ATOM 1030 HG21 VAL A 98 9.996 4.555 -4.948 1.00 0.00 H ATOM 1031 HG22 VAL A 98 8.630 4.695 -3.815 1.00 0.00 H ATOM 1032 HG23 VAL A 98 9.437 6.162 -4.422 1.00 0.00 H ATOM 1033 H VAL A 98 8.730 3.631 -1.775 1.00 0.00 H ATOM 1034 N ALA A 99 11.721 3.967 -0.281 1.00 6.42 N ATOM 1035 CA ALA A 99 12.754 3.926 0.749 1.00 8.96 C ATOM 1036 C ALA A 99 13.219 2.495 1.001 1.00 8.32 C ATOM 1037 O ALA A 99 14.416 2.234 1.121 1.00 7.79 O ATOM 1038 CB ALA A 99 12.248 4.560 2.036 1.00 6.61 C ATOM 1039 HA ALA A 99 13.610 4.500 0.394 1.00 0.00 H ATOM 1040 HB1 ALA A 99 11.977 5.599 1.846 1.00 0.00 H ATOM 1041 HB2 ALA A 99 11.373 4.014 2.389 1.00 0.00 H ATOM 1042 HB3 ALA A 99 13.032 4.520 2.792 1.00 0.00 H ATOM 1043 H ALA A 99 10.774 4.319 -0.035 1.00 0.00 H ATOM 1044 N GLN A 100 12.268 1.570 1.080 1.00 7.55 N ATOM 1045 CA GLN A 100 12.591 0.160 1.271 1.00 10.20 C ATOM 1046 C GLN A 100 13.515 -0.350 0.171 1.00 7.92 C ATOM 1047 O GLN A 100 14.500 -1.035 0.443 1.00 6.54 O ATOM 1048 CB GLN A 100 11.318 -0.686 1.303 1.00 8.28 C ATOM 1049 CG GLN A 100 10.594 -0.688 2.637 1.00 9.84 C ATOM 1050 CD GLN A 100 9.280 -1.440 2.574 1.00 11.06 C ATOM 1051 OE1 GLN A 100 8.414 -1.130 1.756 1.00 8.58 O ATOM 1052 NE2 GLN A 100 9.125 -2.436 3.438 1.00 12.73 N ATOM 1053 HA GLN A 100 13.106 0.070 2.227 1.00 0.00 H ATOM 1054 HB2 GLN A 100 10.635 -0.302 0.546 1.00 0.00 H ATOM 1055 HB3 GLN A 100 11.586 -1.714 1.060 1.00 0.00 H ATOM 1056 HG2 GLN A 100 11.233 -1.160 3.383 1.00 0.00 H ATOM 1057 HG3 GLN A 100 10.395 0.343 2.930 1.00 0.00 H ATOM 1058 HE22 GLN A 100 9.884 -2.663 4.112 1.00 0.00 H ATOM 1059 HE21 GLN A 100 8.245 -2.989 3.441 1.00 0.00 H ATOM 1060 H GLN A 100 11.271 1.858 1.004 1.00 0.00 H ATOM 1061 N VAL A 101 13.189 -0.012 -1.073 1.00 6.07 N ATOM 1062 CA VAL A 101 13.957 -0.477 -2.222 1.00 6.79 C ATOM 1063 C VAL A 101 15.399 0.020 -2.201 1.00 7.95 C ATOM 1064 O VAL A 101 16.334 -0.764 -2.366 1.00 8.37 O ATOM 1065 CB VAL A 101 13.297 -0.060 -3.552 1.00 8.85 C ATOM 1066 CG1 VAL A 101 14.209 -0.392 -4.723 1.00 7.82 C ATOM 1067 CG2 VAL A 101 11.950 -0.746 -3.711 1.00 7.55 C ATOM 1068 HA VAL A 101 13.968 -1.565 -2.150 1.00 0.00 H ATOM 1069 HB VAL A 101 13.135 1.018 -3.538 1.00 0.00 H ATOM 1070 HG11 VAL A 101 15.152 0.143 -4.611 1.00 0.00 H ATOM 1071 HG12 VAL A 101 14.399 -1.465 -4.741 1.00 0.00 H ATOM 1072 HG13 VAL A 101 13.728 -0.091 -5.653 1.00 0.00 H ATOM 1073 HG21 VAL A 101 12.091 -1.827 -3.707 1.00 0.00 H ATOM 1074 HG22 VAL A 101 11.299 -0.460 -2.885 1.00 0.00 H ATOM 1075 HG23 VAL A 101 11.498 -0.441 -4.655 1.00 0.00 H ATOM 1076 H VAL A 101 12.364 0.601 -1.231 1.00 0.00 H ATOM 1077 N ILE A 102 15.579 1.321 -1.996 1.00 6.54 N ATOM 1078 CA ILE A 102 16.916 1.907 -2.016 1.00 7.66 C ATOM 1079 C ILE A 102 17.745 1.471 -0.812 1.00 7.31 C ATOM 1080 O ILE A 102 18.929 1.167 -0.945 1.00 8.61 O ATOM 1081 CB ILE A 102 16.872 3.443 -2.083 1.00 6.58 C ATOM 1082 CG1 ILE A 102 15.910 3.904 -3.178 1.00 7.79 C ATOM 1083 CG2 ILE A 102 18.264 3.998 -2.339 1.00 7.26 C ATOM 1084 CD1 ILE A 102 15.864 5.406 -3.352 1.00 6.45 C ATOM 1085 HA ILE A 102 17.394 1.535 -2.922 1.00 0.00 H ATOM 1086 HB ILE A 102 16.513 3.821 -1.126 1.00 0.00 H ATOM 1087 HG12 ILE A 102 16.222 3.457 -4.122 1.00 0.00 H ATOM 1088 HG13 ILE A 102 14.908 3.555 -2.926 1.00 0.00 H ATOM 1089 HD11 ILE A 102 15.542 5.869 -2.419 1.00 0.00 H ATOM 1090 HD12 ILE A 102 16.857 5.770 -3.616 1.00 0.00 H ATOM 1091 HD13 ILE A 102 15.160 5.657 -4.146 1.00 0.00 H ATOM 1092 HG21 ILE A 102 18.929 3.695 -1.530 1.00 0.00 H ATOM 1093 HG22 ILE A 102 18.640 3.610 -3.286 1.00 0.00 H ATOM 1094 HG23 ILE A 102 18.217 5.086 -2.384 1.00 0.00 H ATOM 1095 H ILE A 102 14.755 1.930 -1.819 1.00 0.00 H ATOM 1096 N ASP A 103 17.122 1.446 0.363 1.00 8.81 N ATOM 1097 CA ASP A 103 17.800 0.974 1.564 1.00 8.56 C ATOM 1098 C ASP A 103 18.285 -0.453 1.348 1.00 7.24 C ATOM 1099 O ASP A 103 19.428 -0.786 1.659 1.00 6.38 O ATOM 1100 CB ASP A 103 16.869 1.031 2.776 1.00 7.99 C ATOM 1101 CG ASP A 103 17.541 0.550 4.048 1.00 12.18 C ATOM 1102 OD1 ASP A 103 18.576 1.132 4.435 1.00 12.94 O ATOM 1103 OD2 ASP A 103 17.032 -0.409 4.665 1.00 12.98 O ATOM 1104 HA ASP A 103 18.653 1.624 1.760 1.00 0.00 H ATOM 1105 HB2 ASP A 103 16.545 2.062 2.920 1.00 0.00 H ATOM 1106 HB3 ASP A 103 16.001 0.402 2.580 1.00 0.00 H ATOM 1107 H ASP A 103 16.135 1.768 0.426 1.00 0.00 H ATOM 1108 N SER A 104 17.404 -1.290 0.810 1.00 6.92 N ATOM 1109 CA SER A 104 17.747 -2.670 0.492 1.00 9.41 C ATOM 1110 C SER A 104 18.908 -2.715 -0.494 1.00 7.26 C ATOM 1111 O SER A 104 19.881 -3.440 -0.289 1.00 6.54 O ATOM 1112 CB SER A 104 16.535 -3.402 -0.086 1.00 6.76 C ATOM 1113 OG SER A 104 16.841 -4.757 -0.368 1.00 7.03 O ATOM 1114 HA SER A 104 18.050 -3.170 1.412 1.00 0.00 H ATOM 1115 HB2 SER A 104 16.227 -2.908 -1.007 1.00 0.00 H ATOM 1116 HB3 SER A 104 15.719 -3.364 0.636 1.00 0.00 H ATOM 1117 HG SER A 104 17.117 -5.212 0.467 1.00 0.00 H ATOM 1118 H SER A 104 16.442 -0.950 0.610 1.00 0.00 H ATOM 1119 N ALA A 105 18.803 -1.929 -1.562 1.00 7.49 N ATOM 1120 CA ALA A 105 19.842 -1.883 -2.584 1.00 8.65 C ATOM 1121 C ALA A 105 21.207 -1.568 -1.979 1.00 7.00 C ATOM 1122 O ALA A 105 22.188 -2.258 -2.252 1.00 8.61 O ATOM 1123 CB ALA A 105 19.485 -0.869 -3.661 1.00 8.14 C ATOM 1124 HA ALA A 105 19.904 -2.870 -3.041 1.00 0.00 H ATOM 1125 HB1 ALA A 105 18.541 -1.153 -4.127 1.00 0.00 H ATOM 1126 HB2 ALA A 105 19.387 0.119 -3.210 1.00 0.00 H ATOM 1127 HB3 ALA A 105 20.272 -0.849 -4.415 1.00 0.00 H ATOM 1128 H ALA A 105 17.958 -1.332 -1.671 1.00 0.00 H ATOM 1129 N ARG A 106 21.264 -0.529 -1.153 1.00 7.83 N ATOM 1130 CA ARG A 106 22.520 -0.122 -0.530 1.00 9.03 C ATOM 1131 C ARG A 106 23.054 -1.186 0.429 1.00 8.51 C ATOM 1132 O ARG A 106 24.258 -1.441 0.473 1.00 7.91 O ATOM 1133 CB ARG A 106 22.362 1.218 0.193 1.00 9.80 C ATOM 1134 CG ARG A 106 21.906 2.361 -0.704 1.00 7.93 C ATOM 1135 CD ARG A 106 22.853 2.576 -1.877 1.00 7.26 C ATOM 1136 NE ARG A 106 22.383 3.642 -2.757 1.00 10.63 N ATOM 1137 CZ ARG A 106 21.628 3.446 -3.833 1.00 10.21 C ATOM 1138 NH1 ARG A 106 21.260 2.219 -4.172 1.00 8.62 N ATOM 1139 NH2 ARG A 106 21.244 4.477 -4.574 1.00 8.90 N ATOM 1140 HA ARG A 106 23.251 -0.004 -1.330 1.00 0.00 H ATOM 1141 HB2 ARG A 106 21.627 1.093 0.988 1.00 0.00 H ATOM 1142 HB3 ARG A 106 23.324 1.488 0.628 1.00 0.00 H ATOM 1143 HG2 ARG A 106 20.913 2.131 -1.090 1.00 0.00 H ATOM 1144 HG3 ARG A 106 21.862 3.276 -0.114 1.00 0.00 H ATOM 1145 HD2 ARG A 106 22.925 1.651 -2.449 1.00 0.00 H ATOM 1146 HD3 ARG A 106 23.838 2.842 -1.493 1.00 0.00 H ATOM 1147 HE ARG A 106 22.657 4.619 -2.527 1.00 0.00 H ATOM 1148 HH12 ARG A 106 20.669 2.067 -5.014 1.00 0.00 H ATOM 1149 HH11 ARG A 106 21.562 1.408 -3.596 1.00 0.00 H ATOM 1150 HH22 ARG A 106 20.653 4.321 -5.416 1.00 0.00 H ATOM 1151 HH21 ARG A 106 21.534 5.441 -4.313 1.00 0.00 H ATOM 1152 H ARG A 106 20.396 0.005 -0.946 1.00 0.00 H ATOM 1153 N ARG A 107 22.160 -1.806 1.193 1.00 7.60 N ATOM 1154 CA ARG A 107 22.558 -2.874 2.107 1.00 8.06 C ATOM 1155 C ARG A 107 23.078 -4.091 1.345 1.00 8.97 C ATOM 1156 O ARG A 107 23.860 -4.880 1.876 1.00 7.88 O ATOM 1157 CB ARG A 107 21.403 -3.266 3.036 1.00 9.01 C ATOM 1158 CG ARG A 107 21.203 -2.310 4.206 1.00 7.61 C ATOM 1159 CD ARG A 107 20.178 -2.831 5.206 1.00 11.08 C ATOM 1160 NE ARG A 107 18.810 -2.725 4.707 1.00 11.34 N ATOM 1161 CZ ARG A 107 18.101 -3.749 4.242 1.00 9.16 C ATOM 1162 NH1 ARG A 107 18.628 -4.965 4.214 1.00 6.19 N ATOM 1163 NH2 ARG A 107 16.863 -3.557 3.807 1.00 6.77 N ATOM 1164 HA ARG A 107 23.372 -2.492 2.723 1.00 0.00 H ATOM 1165 HB2 ARG A 107 20.484 -3.290 2.451 1.00 0.00 H ATOM 1166 HB3 ARG A 107 21.605 -4.260 3.435 1.00 0.00 H ATOM 1167 HG2 ARG A 107 22.156 -2.176 4.717 1.00 0.00 H ATOM 1168 HG3 ARG A 107 20.861 -1.350 3.820 1.00 0.00 H ATOM 1169 HD2 ARG A 107 20.261 -2.253 6.126 1.00 0.00 H ATOM 1170 HD3 ARG A 107 20.394 -3.879 5.416 1.00 0.00 H ATOM 1171 HE ARG A 107 18.361 -1.787 4.716 1.00 0.00 H ATOM 1172 HH12 ARG A 107 18.072 -5.765 3.850 1.00 0.00 H ATOM 1173 HH11 ARG A 107 19.598 -5.119 4.556 1.00 0.00 H ATOM 1174 HH22 ARG A 107 16.309 -4.359 3.443 1.00 0.00 H ATOM 1175 HH21 ARG A 107 16.446 -2.605 3.829 1.00 0.00 H ATOM 1176 H ARG A 107 21.160 -1.526 1.139 1.00 0.00 H ATOM 1177 N HIS A 108 22.645 -4.233 0.097 1.00 5.75 N ATOM 1178 CA HIS A 108 23.133 -5.303 -0.765 1.00 7.69 C ATOM 1179 C HIS A 108 24.290 -4.804 -1.626 1.00 8.73 C ATOM 1180 O HIS A 108 24.803 -5.527 -2.481 1.00 6.85 O ATOM 1181 CB HIS A 108 22.002 -5.842 -1.644 1.00 7.39 C ATOM 1182 CG HIS A 108 20.996 -6.659 -0.895 1.00 7.54 C ATOM 1183 ND1 HIS A 108 20.104 -6.108 -0.001 1.00 8.02 N ATOM 1184 CD2 HIS A 108 20.741 -7.989 -0.909 1.00 7.02 C ATOM 1185 CE1 HIS A 108 19.344 -7.061 0.504 1.00 9.14 C ATOM 1186 NE2 HIS A 108 19.708 -8.213 -0.031 1.00 8.88 N ATOM 1187 HA HIS A 108 23.495 -6.117 -0.137 1.00 0.00 H ATOM 1188 HB2 HIS A 108 21.488 -4.996 -2.101 1.00 0.00 H ATOM 1189 HB3 HIS A 108 22.439 -6.465 -2.425 1.00 0.00 H ATOM 1190 HD2 HIS A 108 21.258 -8.741 -1.505 1.00 0.00 H ATOM 1191 HE1 HIS A 108 18.550 -6.922 1.238 1.00 0.00 H ATOM 1192 H HIS A 108 21.940 -3.564 -0.274 1.00 0.00 H ATOM 1193 N GLN A 109 24.689 -3.558 -1.385 1.00 7.00 N ATOM 1194 CA GLN A 109 25.815 -2.933 -2.076 1.00 9.08 C ATOM 1195 C GLN A 109 25.604 -2.813 -3.588 1.00 12.91 C ATOM 1196 O GLN A 109 26.533 -3.011 -4.373 1.00 11.78 O ATOM 1197 CB GLN A 109 27.123 -3.665 -1.757 1.00 13.79 C ATOM 1198 CG GLN A 109 27.474 -3.683 -0.271 1.00 11.88 C ATOM 1199 CD GLN A 109 27.937 -2.332 0.247 1.00 17.24 C ATOM 1200 OE1 GLN A 109 29.016 -1.855 -0.104 1.00 19.71 O ATOM 1201 NE2 GLN A 109 27.127 -1.716 1.100 1.00 24.16 N ATOM 1202 HA GLN A 109 25.882 -1.913 -1.698 1.00 0.00 H ATOM 1203 HB2 GLN A 109 27.033 -4.695 -2.101 1.00 0.00 H ATOM 1204 HB3 GLN A 109 27.933 -3.172 -2.295 1.00 0.00 H ATOM 1205 HG2 GLN A 109 26.591 -3.986 0.291 1.00 0.00 H ATOM 1206 HG3 GLN A 109 28.272 -4.408 -0.111 1.00 0.00 H ATOM 1207 HE22 GLN A 109 26.224 -2.156 1.369 1.00 0.00 H ATOM 1208 HE21 GLN A 109 27.396 -0.794 1.499 1.00 0.00 H ATOM 1209 H GLN A 109 24.175 -3.003 -0.671 1.00 0.00 H ATOM 1210 N HIS A 110 24.376 -2.483 -3.984 1.00 9.14 N ATOM 1211 CA HIS A 110 24.056 -2.203 -5.381 1.00 7.98 C ATOM 1212 C HIS A 110 23.679 -0.732 -5.543 1.00 9.16 C ATOM 1213 O HIS A 110 23.162 -0.118 -4.610 1.00 8.81 O ATOM 1214 CB HIS A 110 22.901 -3.084 -5.868 1.00 6.77 C ATOM 1215 CG HIS A 110 23.078 -4.541 -5.567 1.00 7.93 C ATOM 1216 ND1 HIS A 110 24.179 -5.260 -5.974 1.00 9.54 N ATOM 1217 CD2 HIS A 110 22.277 -5.417 -4.913 1.00 8.59 C ATOM 1218 CE1 HIS A 110 24.058 -6.513 -5.574 1.00 11.60 C ATOM 1219 NE2 HIS A 110 22.912 -6.636 -4.930 1.00 8.53 N ATOM 1220 HA HIS A 110 24.938 -2.425 -5.982 1.00 0.00 H ATOM 1221 HB2 HIS A 110 21.984 -2.743 -5.388 1.00 0.00 H ATOM 1222 HB3 HIS A 110 22.810 -2.965 -6.948 1.00 0.00 H ATOM 1223 HD2 HIS A 110 21.311 -5.196 -4.459 1.00 0.00 H ATOM 1224 HE1 HIS A 110 24.781 -7.310 -5.746 1.00 0.00 H ATOM 1225 H HIS A 110 23.619 -2.423 -3.274 1.00 0.00 H ATOM 1226 N PRO A 111 23.937 -0.164 -6.732 1.00 8.79 N ATOM 1227 CA PRO A 111 23.673 1.249 -7.026 1.00 9.45 C ATOM 1228 C PRO A 111 22.248 1.510 -7.513 1.00 7.16 C ATOM 1229 O PRO A 111 21.981 2.589 -8.043 1.00 7.63 O ATOM 1230 CB PRO A 111 24.660 1.563 -8.164 1.00 9.70 C ATOM 1231 CG PRO A 111 25.482 0.303 -8.372 1.00 11.34 C ATOM 1232 CD PRO A 111 24.661 -0.816 -7.832 1.00 10.32 C ATOM 1233 HA PRO A 111 23.789 1.862 -6.132 1.00 0.00 H ATOM 1234 HD3 PRO A 111 23.974 -1.202 -8.585 1.00 0.00 H ATOM 1235 HD2 PRO A 111 25.290 -1.628 -7.466 1.00 0.00 H ATOM 1236 HG3 PRO A 111 26.427 0.374 -7.834 1.00 0.00 H ATOM 1237 HG2 PRO A 111 25.680 0.150 -9.433 1.00 0.00 H ATOM 1238 HB2 PRO A 111 24.118 1.816 -9.075 1.00 0.00 H ATOM 1239 HB3 PRO A 111 25.307 2.395 -7.885 1.00 0.00 H ATOM 1240 N LEU A 112 21.353 0.544 -7.335 1.00 8.00 N ATOM 1241 CA LEU A 112 19.990 0.655 -7.851 1.00 9.58 C ATOM 1242 C LEU A 112 19.295 1.946 -7.426 1.00 8.21 C ATOM 1243 O LEU A 112 19.362 2.348 -6.264 1.00 7.50 O ATOM 1244 CB LEU A 112 19.151 -0.550 -7.419 1.00 8.27 C ATOM 1245 CG LEU A 112 17.785 -0.687 -8.097 1.00 9.75 C ATOM 1246 CD1 LEU A 112 17.955 -0.962 -9.583 1.00 8.94 C ATOM 1247 CD2 LEU A 112 16.965 -1.785 -7.439 1.00 9.87 C ATOM 1248 HA LEU A 112 20.074 0.676 -8.938 1.00 0.00 H ATOM 1249 HB2 LEU A 112 19.724 -1.452 -7.635 1.00 0.00 H ATOM 1250 HB3 LEU A 112 18.985 -0.475 -6.344 1.00 0.00 H ATOM 1251 HG LEU A 112 17.248 0.254 -7.980 1.00 0.00 H ATOM 1252 HD21 LEU A 112 17.496 -2.733 -7.522 1.00 0.00 H ATOM 1253 HD22 LEU A 112 16.814 -1.543 -6.387 1.00 0.00 H ATOM 1254 HD23 LEU A 112 15.999 -1.864 -7.938 1.00 0.00 H ATOM 1255 HD11 LEU A 112 18.499 -0.138 -10.044 1.00 0.00 H ATOM 1256 HD12 LEU A 112 18.513 -1.888 -9.718 1.00 0.00 H ATOM 1257 HD13 LEU A 112 16.974 -1.056 -10.048 1.00 0.00 H ATOM 1258 H LEU A 112 21.630 -0.313 -6.815 1.00 0.00 H ATOM 1259 N GLN A 113 18.624 2.589 -8.377 1.00 6.11 N ATOM 1260 CA GLN A 113 17.845 3.787 -8.089 1.00 8.22 C ATOM 1261 C GLN A 113 16.352 3.509 -8.212 1.00 7.81 C ATOM 1262 O GLN A 113 15.913 2.761 -9.086 1.00 8.11 O ATOM 1263 CB GLN A 113 18.245 4.938 -9.016 1.00 8.66 C ATOM 1264 CG GLN A 113 19.636 5.498 -8.759 1.00 10.76 C ATOM 1265 CD GLN A 113 19.695 6.416 -7.550 1.00 11.20 C ATOM 1266 OE1 GLN A 113 20.696 7.147 -7.396 1.00 16.34 O ATOM 1267 NE2 GLN A 113 18.735 6.404 -6.751 1.00 12.81 N ATOM 1268 HA GLN A 113 18.059 4.081 -7.061 1.00 0.00 H ATOM 1269 HB2 GLN A 113 18.207 4.577 -10.044 1.00 0.00 H ATOM 1270 HB3 GLN A 113 17.523 5.745 -8.889 1.00 0.00 H ATOM 1271 HG2 GLN A 113 20.321 4.666 -8.597 1.00 0.00 H ATOM 1272 HG3 GLN A 113 19.952 6.060 -9.638 1.00 0.00 H ATOM 1273 HE22 GLN A 113 17.923 5.777 -6.923 1.00 0.00 H ATOM 1274 HE21 GLN A 113 18.747 7.021 -5.914 1.00 0.00 H ATOM 1275 H GLN A 113 18.656 2.228 -9.352 1.00 0.00 H ATOM 1276 N CYS A 114 15.580 4.123 -7.324 1.00 7.45 N ATOM 1277 CA CYS A 114 14.137 3.959 -7.295 1.00 7.62 C ATOM 1278 C CYS A 114 13.524 5.303 -6.929 1.00 7.36 C ATOM 1279 O CYS A 114 14.105 6.063 -6.158 1.00 8.20 O ATOM 1280 CB CYS A 114 13.754 2.893 -6.265 1.00 7.46 C ATOM 1281 SG CYS A 114 11.986 2.533 -6.136 1.00 10.02 S ATOM 1282 HA CYS A 114 13.767 3.633 -8.267 1.00 0.00 H ATOM 1283 HB2 CYS A 114 14.100 3.230 -5.288 1.00 0.00 H ATOM 1284 HB3 CYS A 114 14.266 1.969 -6.532 1.00 0.00 H ATOM 1285 HG CYS A 114 11.520 2.083 -7.354 1.00 0.00 H ATOM 1286 H CYS A 114 16.026 4.746 -6.621 1.00 0.00 H ATOM 1287 N THR A 115 12.359 5.604 -7.489 1.00 10.00 N ATOM 1288 CA THR A 115 11.717 6.888 -7.240 1.00 7.39 C ATOM 1289 C THR A 115 10.216 6.799 -7.490 1.00 9.48 C ATOM 1290 O THR A 115 9.733 5.829 -8.068 1.00 9.73 O ATOM 1291 CB THR A 115 12.338 8.001 -8.114 1.00 10.99 C ATOM 1292 OG1 THR A 115 11.962 9.287 -7.605 1.00 14.62 O ATOM 1293 CG2 THR A 115 11.885 7.868 -9.563 1.00 11.26 C ATOM 1294 HA THR A 115 11.882 7.143 -6.193 1.00 0.00 H ATOM 1295 HB THR A 115 13.423 7.900 -8.080 1.00 0.00 H ATOM 1296 HG1 THR A 115 12.288 9.381 -6.675 1.00 0.00 H ATOM 1297 HG23 THR A 115 12.174 6.888 -9.944 1.00 0.00 H ATOM 1298 HG21 THR A 115 10.801 7.975 -9.615 1.00 0.00 H ATOM 1299 HG22 THR A 115 12.357 8.646 -10.163 1.00 0.00 H ATOM 1300 H THR A 115 11.898 4.913 -8.115 1.00 0.00 H ATOM 1301 N MET A 116 9.479 7.807 -7.039 1.00 8.51 N ATOM 1302 CA MET A 116 8.036 7.837 -7.235 1.00 10.81 C ATOM 1303 C MET A 116 7.576 9.186 -7.766 1.00 10.52 C ATOM 1304 O MET A 116 8.202 10.215 -7.518 1.00 11.35 O ATOM 1305 CB MET A 116 7.307 7.518 -5.930 1.00 9.39 C ATOM 1306 CG MET A 116 7.852 8.272 -4.734 1.00 15.04 C ATOM 1307 SD MET A 116 6.586 8.657 -3.516 1.00 25.73 S ATOM 1308 CE MET A 116 5.356 9.391 -4.581 1.00 12.65 C ATOM 1309 HA MET A 116 7.791 7.075 -7.975 1.00 0.00 H ATOM 1310 HB2 MET A 116 6.255 7.775 -6.050 1.00 0.00 H ATOM 1311 HB3 MET A 116 7.398 6.449 -5.736 1.00 0.00 H ATOM 1312 HG2 MET A 116 8.295 9.205 -5.083 1.00 0.00 H ATOM 1313 HG3 MET A 116 8.620 7.662 -4.258 1.00 0.00 H ATOM 1314 HE1 MET A 116 5.780 10.266 -5.075 1.00 0.00 H ATOM 1315 HE2 MET A 116 5.046 8.663 -5.331 1.00 0.00 H ATOM 1316 HE3 MET A 116 4.494 9.691 -3.985 1.00 0.00 H ATOM 1317 H MET A 116 9.941 8.591 -6.536 1.00 0.00 H ATOM 1318 N GLU A 117 6.470 9.167 -8.498 1.00 9.67 N ATOM 1319 CA GLU A 117 5.905 10.373 -9.075 1.00 11.59 C ATOM 1320 C GLU A 117 4.409 10.177 -9.255 1.00 10.12 C ATOM 1321 O GLU A 117 3.916 9.051 -9.213 1.00 10.74 O ATOM 1322 CB GLU A 117 6.573 10.686 -10.415 1.00 11.77 C ATOM 1323 CG GLU A 117 6.473 9.567 -11.441 1.00 13.96 C ATOM 1324 CD GLU A 117 7.281 9.846 -12.695 1.00 16.53 C ATOM 1325 OE1 GLU A 117 8.236 10.647 -12.623 1.00 17.64 O ATOM 1326 OE2 GLU A 117 6.963 9.263 -13.752 1.00 16.62 O ATOM 1327 HA GLU A 117 6.082 11.217 -8.408 1.00 0.00 H ATOM 1328 HB2 GLU A 117 6.101 11.575 -10.832 1.00 0.00 H ATOM 1329 HB3 GLU A 117 7.628 10.888 -10.232 1.00 0.00 H ATOM 1330 HG2 GLU A 117 6.839 8.645 -10.988 1.00 0.00 H ATOM 1331 HG3 GLU A 117 5.427 9.443 -11.721 1.00 0.00 H ATOM 1332 H GLU A 117 5.992 8.258 -8.664 1.00 0.00 H ATOM 1333 N LYS A 118 3.689 11.275 -9.452 1.00 10.55 N ATOM 1334 CA LYS A 118 2.239 11.219 -9.601 1.00 13.54 C ATOM 1335 C LYS A 118 1.822 10.322 -10.764 1.00 14.05 C ATOM 1336 O LYS A 118 2.348 10.435 -11.871 1.00 14.96 O ATOM 1337 CB LYS A 118 1.665 12.629 -9.777 1.00 15.61 C ATOM 1338 CG LYS A 118 2.003 13.567 -8.628 1.00 20.05 C ATOM 1339 CD LYS A 118 1.725 15.027 -8.962 1.00 31.74 C ATOM 1340 CE LYS A 118 0.247 15.362 -8.847 1.00 32.34 C ATOM 1341 NZ LYS A 118 0.002 16.827 -8.971 1.00 33.13 N ATOM 1342 HA LYS A 118 1.831 10.782 -8.689 1.00 0.00 H ATOM 1343 HB2 LYS A 118 2.065 13.053 -10.698 1.00 0.00 H ATOM 1344 HB3 LYS A 118 0.580 12.554 -9.854 1.00 0.00 H ATOM 1345 HG2 LYS A 118 1.405 13.287 -7.761 1.00 0.00 H ATOM 1346 HG3 LYS A 118 3.061 13.459 -8.388 1.00 0.00 H ATOM 1347 HD2 LYS A 118 2.285 15.659 -8.273 1.00 0.00 H ATOM 1348 HD3 LYS A 118 2.053 15.224 -9.983 1.00 0.00 H ATOM 1349 HE2 LYS A 118 -0.118 15.023 -7.877 1.00 0.00 H ATOM 1350 HE3 LYS A 118 -0.295 14.845 -9.638 1.00 0.00 H ATOM 1351 HZ1 LYS A 118 0.511 17.328 -8.215 1.00 0.00 H ATOM 1352 HZ2 LYS A 118 0.342 17.157 -9.897 1.00 0.00 H ATOM 1353 HZ3 LYS A 118 -1.017 17.015 -8.887 1.00 0.00 H ATOM 1354 H LYS A 118 4.170 12.196 -9.501 1.00 0.00 H ATOM 1355 N ASP A 119 0.880 9.424 -10.503 1.00 10.96 N ATOM 1356 CA ASP A 119 0.308 8.600 -11.560 1.00 19.67 C ATOM 1357 C ASP A 119 -0.571 9.421 -12.495 1.00 18.16 C ATOM 1358 O ASP A 119 -0.669 9.122 -13.680 1.00 23.76 O ATOM 1359 CB ASP A 119 -0.476 7.422 -10.968 1.00 16.78 C ATOM 1360 CG ASP A 119 -0.800 6.362 -12.001 1.00 21.35 C ATOM 1361 OD1 ASP A 119 0.045 6.132 -12.888 1.00 20.19 O ATOM 1362 OD2 ASP A 119 -1.897 5.764 -11.931 1.00 24.81 O ATOM 1363 HA ASP A 119 1.133 8.201 -12.150 1.00 0.00 H ATOM 1364 OXT ASP A 119 -1.197 10.400 -12.088 1.00 19.44 O ATOM 1365 HB2 ASP A 119 0.120 6.968 -10.176 1.00 0.00 H ATOM 1366 HB3 ASP A 119 -1.409 7.798 -10.549 1.00 0.00 H ATOM 1367 H ASP A 119 0.544 9.306 -9.526 1.00 0.00 H TER 1368 ASP A 119 HETATM 1369 O HOH 1 16.266 -6.273 2.247 1.00 0.00 O HETATM 1370 O HOH 2 22.274 -9.433 -3.771 1.00 2.10 O HETATM 1371 O HOH 3 -1.130 8.737 1.270 1.00 8.62 O HETATM 1372 O HOH 4 -0.204 -1.578 -7.892 1.00 10.19 O HETATM 1373 O HOH 5 7.442 7.882 5.201 1.00 11.60 O HETATM 1374 O HOH 6 19.510 1.939 -11.025 1.00 9.42 O HETATM 1375 O HOH 7 4.469 -16.301 -8.463 1.00 10.94 O HETATM 1376 O HOH 8 8.392 11.563 -0.980 1.00 7.11 O HETATM 1377 O HOH 9 5.822 -1.712 1.992 1.00 9.87 O HETATM 1378 O HOH 10 14.590 -6.876 5.494 1.00 13.47 O HETATM 1379 O HOH 11 20.553 4.242 -11.971 1.00 11.22 O HETATM 1380 O HOH 12 10.503 9.833 -4.879 1.00 13.08 O HETATM 1381 O HOH 13 10.816 7.569 -0.320 1.00 8.68 O HETATM 1382 O HOH 14 -2.303 8.969 -2.154 1.00 9.26 O HETATM 1383 O HOH 15 20.759 2.594 3.816 1.00 15.38 O HETATM 1384 O HOH 16 21.768 -12.443 -2.713 1.00 13.87 O HETATM 1385 O HOH 17 -1.972 -0.056 -4.685 1.00 13.32 O HETATM 1386 O HOH 18 7.212 -1.699 -16.759 1.00 14.04 O HETATM 1387 O HOH 19 -1.797 5.173 2.798 1.00 9.51 O HETATM 1388 O HOH 20 29.997 -0.881 2.534 1.00 17.21 O HETATM 1389 O HOH 21 6.388 -4.033 -17.960 1.00 25.74 O HETATM 1390 O HOH 22 22.859 3.960 -10.241 1.00 10.88 O HETATM 1391 O HOH 23 3.799 0.083 3.146 1.00 17.03 O HETATM 1392 O HOH 24 31.075 -3.979 0.518 1.00 21.06 O HETATM 1393 O HOH 25 21.380 -11.450 -11.315 1.00 20.19 O HETATM 1394 O HOH 26 5.735 -5.107 0.519 1.00 11.06 O HETATM 1395 O HOH 27 0.183 -5.041 -4.283 1.00 15.90 O HETATM 1396 O HOH 28 26.284 -4.248 -7.619 1.00 16.52 O HETATM 1397 O HOH 29 9.502 -7.481 -20.196 1.00 15.43 O HETATM 1398 O HOH 30 12.716 -8.622 -25.817 1.00 17.75 O HETATM 1399 O HOH 31 1.321 -3.334 -9.644 1.00 18.28 O HETATM 1400 O HOH 32 13.795 -4.533 4.280 1.00 10.65 O HETATM 1401 O HOH 33 14.123 -0.383 5.045 1.00 13.84 O HETATM 1402 O HOH 34 4.483 10.602 -17.590 1.00 28.13 O HETATM 1403 O HOH 35 25.641 0.403 -2.684 1.00 22.02 O HETATM 1404 O HOH 36 3.217 12.421 -18.610 1.00 33.12 O HETATM 1405 O HOH 37 10.255 2.014 4.161 1.00 22.59 O HETATM 1406 O HOH 38 26.277 0.527 0.115 1.00 26.40 O HETATM 1407 O HOH 39 -5.922 13.812 -9.726 1.00 32.34 O HETATM 1408 O HOH 40 28.928 1.393 -18.501 1.00 39.63 O HETATM 1409 O HOH 41 25.524 1.740 2.148 1.00 17.37 O HETATM 1410 O HOH 42 5.045 -11.985 -18.295 1.00 31.50 O HETATM 1411 O HOH 43 14.475 -2.194 3.000 1.00 11.88 O HETATM 1412 O HOH 44 0.465 6.937 -15.540 1.00 33.19 O HETATM 1413 O HOH 45 5.418 14.295 -11.745 1.00 24.51 O HETATM 1414 O HOH 46 24.713 2.472 -14.601 1.00 19.53 O HETATM 1415 O HOH 47 22.627 -2.889 -18.161 1.00 20.17 O HETATM 1416 O HOH 48 3.566 2.628 4.147 1.00 15.02 O HETATM 1417 O HOH 49 12.458 3.787 -22.718 1.00 19.64 O HETATM 1418 O HOH 50 16.191 7.749 -7.404 1.00 14.12 O HETATM 1419 O HOH 51 1.472 -3.955 -6.457 1.00 17.91 O HETATM 1420 O HOH 52 -2.283 4.901 -14.878 1.00 30.27 O HETATM 1421 O HOH 53 11.296 -3.677 5.138 1.00 15.57 O HETATM 1422 O HOH 54 4.981 6.574 4.528 1.00 8.67 O HETATM 1423 O HOH 55 6.677 12.445 -5.549 1.00 18.49 O HETATM 1424 O HOH 56 4.267 12.401 -12.644 1.00 20.52 O HETATM 1425 O HOH 57 5.859 -3.411 4.550 1.00 21.13 O HETATM 1426 O HOH 58 20.458 0.464 6.682 1.00 16.97 O HETATM 1427 O HOH 59 4.183 -16.332 -11.261 1.00 16.88 O HETATM 1428 O HOH 60 10.516 -8.296 -24.203 1.00 18.24 O HETATM 1429 O HOH 61 28.951 -3.892 -15.486 1.00 28.49 O HETATM 1430 O HOH 62 2.003 -9.556 -9.535 1.00 11.35 O HETATM 1431 O HOH 63 0.152 -11.140 -8.225 1.00 16.30 O HETATM 1432 O HOH 64 -3.646 8.624 -9.699 1.00 17.60 O HETATM 1433 O HOH 65 4.917 -2.264 -15.027 1.00 16.64 O HETATM 1434 O HOH 66 11.199 -4.638 -23.226 1.00 25.02 O HETATM 1435 O HOH 67 22.092 4.084 -14.373 1.00 13.50 O HETATM 1436 O HOH 68 10.555 -23.260 -11.555 1.00 22.10 O HETATM 1437 O HOH 69 11.773 -15.777 -8.387 1.00 17.22 O HETATM 1438 O HOH 70 1.177 2.573 5.447 1.00 17.18 O HETATM 1439 O HOH 71 2.247 -4.728 -13.347 1.00 23.39 O HETATM 1440 O HOH 72 4.317 9.340 4.116 1.00 8.28 O HETATM 1441 O HOH 73 1.144 -13.577 -12.437 1.00 19.59 O HETATM 1442 O HOH 74 26.390 -3.874 3.616 1.00 19.90 O HETATM 1443 O HOH 75 12.028 -1.424 6.623 1.00 20.11 O HETATM 1444 O HOH 76 13.219 -14.787 -6.401 1.00 21.71 O HETATM 1445 O HOH 77 11.097 -18.192 -7.220 1.00 25.27 O HETATM 1446 O HOH 78 20.755 -3.051 -20.177 1.00 19.30 O HETATM 1447 O HOH 79 1.052 10.450 -15.233 1.00 28.47 O HETATM 1448 O HOH 80 23.106 0.182 5.942 1.00 24.65 O HETATM 1449 O HOH 81 23.280 0.975 3.294 1.00 17.01 O HETATM 1450 O HOH 82 -6.014 6.781 -9.661 1.00 15.57 O HETATM 1451 O HOH 83 13.369 2.330 4.657 1.00 13.43 O HETATM 1452 O HOH 84 -1.398 11.566 -8.760 1.00 24.24 O HETATM 1453 O HOH 85 11.683 -20.868 -7.129 1.00 21.28 O HETATM 1454 O HOH 86 18.487 3.977 -16.175 1.00 12.64 O HETATM 1455 O HOH 87 -0.510 4.773 5.452 1.00 22.24 O HETATM 1456 O HOH 88 1.223 -16.876 -11.349 1.00 37.16 O HETATM 1457 O HOH 89 7.502 -12.901 -17.289 1.00 20.91 O HETATM 1458 O HOH 90 8.599 -4.044 -22.729 1.00 25.07 O HETATM 1459 O HOH 91 0.784 3.775 -14.692 1.00 25.89 O HETATM 1460 O HOH 92 7.387 -5.953 -21.086 1.00 29.87 O HETATM 1461 O HOH 93 15.827 -13.524 -7.718 1.00 20.30 O HETATM 1462 O HOH 94 20.058 1.872 -19.095 1.00 20.25 O HETATM 1463 O HOH 95 11.556 1.052 7.804 1.00 34.39 O HETATM 1464 O HOH 96 14.961 -3.610 7.077 1.00 19.81 O HETATM 1465 O HOH 97 6.127 -20.603 -7.980 1.00 20.59 O HETATM 1466 O HOH 98 2.020 13.409 -14.019 1.00 29.62 O HETATM 1467 O HOH 99 22.666 -4.858 -21.048 1.00 27.04 O HETATM 1468 O HOH 100 10.529 -23.161 -8.854 1.00 17.65 O HETATM 1469 O HOH 101 13.246 -21.984 -9.204 1.00 21.13 O HETATM 1470 O HOH 102 17.703 -13.210 -5.590 1.00 18.05 O HETATM 1471 O HOH 103 -0.464 -11.542 -12.323 1.00 22.87 O HETATM 1472 O HOH 104 -1.693 2.161 -1.459 1.00 15.76 O HETATM 1473 O HOH 105 16.281 -1.278 7.109 1.00 19.14 O HETATM 1474 O HOH 106 -3.547 3.565 -11.691 1.00 15.22 O HETATM 1475 O HOH 107 18.771 -14.476 -13.825 1.00 31.48 O HETATM 1476 O HOH 108 -2.557 9.474 -15.446 1.00 27.08 O HETATM 1477 O HOH 109 3.116 -2.828 -11.829 1.00 19.15 O HETATM 1478 O HOH 110 1.285 -6.996 -11.352 1.00 26.49 O HETATM 1479 O HOH 111 0.069 -7.647 -5.550 1.00 25.00 O HETATM 1480 O HOH 112 0.829 -7.102 -8.430 1.00 23.62 O HETATM 1481 O HOH 113 -0.624 -5.501 -10.152 1.00 22.41 O HETATM 1482 O HOH 114 17.989 -10.510 -1.803 1.00 16.45 O HETATM 1483 O HOH 115 9.997 -5.434 6.776 1.00 20.88 O HETATM 1484 O HOH 116 20.887 -11.068 -6.288 1.00 26.19 O HETATM 1485 O HOH 117 16.617 -13.356 -2.964 1.00 28.71 O HETATM 1486 O HOH 118 11.738 -7.249 8.121 1.00 24.64 O HETATM 1487 O HOH 119 -2.446 15.450 -10.278 1.00 33.43 O HETATM 1488 O HOH 120 10.990 -6.838 -22.155 1.00 24.73 O HETATM 1489 O HOH 121 12.931 -10.228 7.301 1.00 24.40 O HETATM 1490 O HOH 122 0.974 -17.089 -15.590 1.00 36.50 O HETATM 1491 O HOH 123 8.241 1.552 -18.602 1.00 30.40 O HETATM 1492 O HOH 124 9.594 12.039 -5.461 1.00 18.31 O HETATM 1493 O HOH 125 25.672 -8.532 -17.478 1.00 27.30 O HETATM 1494 O HOH 126 27.086 -11.503 -15.011 1.00 27.79 O HETATM 1495 O HOH 127 25.642 -11.149 -17.484 1.00 39.00 O HETATM 1496 N LEU A 128 20.898 -4.108 -16.312 1.00 0.24 N HETATM 1497 CA LEU A 128 21.137 -4.880 -15.099 1.00 0.07 C HETATM 1498 C LEU A 128 22.191 -5.958 -15.330 1.00 0.23 C HETATM 1499 O LEU A 128 22.451 -6.348 -16.467 1.00 -0.39 O HETATM 1500 N LEU A 128 22.792 -6.434 -14.245 1.00 -0.26 N HETATM 1501 CA LEU A 128 23.820 -7.466 -14.322 1.00 0.13 C HETATM 1502 C LEU A 128 23.206 -8.846 -14.549 1.00 0.20 C HETATM 1503 O LEU A 128 22.110 -9.132 -14.065 1.00 -0.39 O HETATM 1504 N LEU A 128 23.928 -9.689 -15.283 1.00 -0.27 N HETATM 1505 CA LEU A 128 23.477 -11.034 -15.646 1.00 0.09 C HETATM 1506 C LEU A 128 22.572 -11.013 -16.875 1.00 0.06 C HETATM 1507 O LEU A 128 22.643 -11.897 -17.731 1.00 -0.57 O HETATM 1508 OXT LEU A 128 21.757 -10.108 -17.044 1.00 -0.57 O HETATM 1509 CB LEU A 128 22.790 -11.741 -14.471 1.00 -0.02 C HETATM 1510 CG LEU A 128 22.225 -13.141 -14.737 1.00 -0.04 C HETATM 1511 CD1 LEU A 128 22.143 -13.947 -13.450 1.00 -0.06 C HETATM 1512 H30 LEU A 128 21.735 -14.945 -13.668 1.00 0.02 H HETATM 1513 H31 LEU A 128 21.486 -13.431 -12.735 1.00 0.02 H HETATM 1514 H32 LEU A 128 23.149 -14.048 -13.016 1.00 0.02 H HETATM 1515 CD2 LEU A 128 20.863 -13.075 -15.421 1.00 -0.06 C HETATM 1516 H33 LEU A 128 20.946 -12.488 -16.348 1.00 0.02 H HETATM 1517 H34 LEU A 128 20.137 -12.596 -14.748 1.00 0.02 H HETATM 1518 H35 LEU A 128 20.523 -14.093 -15.661 1.00 0.02 H HETATM 1519 H29 LEU A 128 22.918 -13.659 -15.417 1.00 0.03 H HETATM 1520 H27 LEU A 128 21.956 -11.104 -14.141 1.00 0.03 H HETATM 1521 H28 LEU A 128 23.527 -11.829 -13.659 1.00 0.03 H HETATM 1522 H26 LEU A 128 24.371 -11.620 -15.905 1.00 0.07 H HETATM 1523 H25 LEU A 128 24.826 -9.388 -15.604 1.00 0.19 H HETATM 1524 CB LEU A 128 24.667 -7.466 -13.048 1.00 -0.01 C HETATM 1525 CG LEU A 128 25.762 -8.528 -12.925 1.00 -0.04 C HETATM 1526 CD1 LEU A 128 26.807 -8.357 -14.017 1.00 -0.06 C HETATM 1527 H19 LEU A 128 27.582 -9.130 -13.908 1.00 0.02 H HETATM 1528 H20 LEU A 128 27.268 -7.362 -13.931 1.00 0.02 H HETATM 1529 H21 LEU A 128 26.328 -8.455 -15.002 1.00 0.02 H HETATM 1530 CD2 LEU A 128 26.407 -8.468 -11.550 1.00 -0.06 C HETATM 1531 H22 LEU A 128 25.635 -8.594 -10.777 1.00 0.02 H HETATM 1532 H23 LEU A 128 26.902 -7.494 -11.419 1.00 0.02 H HETATM 1533 H24 LEU A 128 27.151 -9.273 -11.459 1.00 0.02 H HETATM 1534 H18 LEU A 128 25.297 -9.518 -13.046 1.00 0.03 H HETATM 1535 H16 LEU A 128 23.982 -7.599 -12.198 1.00 0.03 H HETATM 1536 H17 LEU A 128 25.153 -6.482 -12.976 1.00 0.03 H HETATM 1537 H15 LEU A 128 24.475 -7.236 -15.175 1.00 0.08 H HETATM 1538 H14 LEU A 128 22.532 -6.074 -13.349 1.00 0.19 H HETATM 1539 CB LEU A 128 19.834 -5.513 -14.604 1.00 0.01 C HETATM 1540 CG LEU A 128 18.695 -4.546 -14.275 1.00 -0.04 C HETATM 1541 CD1 LEU A 128 17.417 -5.309 -13.961 1.00 -0.06 C HETATM 1542 H8 LEU A 128 16.612 -4.596 -13.728 1.00 0.02 H HETATM 1543 H9 LEU A 128 17.586 -5.967 -13.096 1.00 0.02 H HETATM 1544 H10 LEU A 128 17.128 -5.915 -14.832 1.00 0.02 H HETATM 1545 CD2 LEU A 128 19.077 -3.632 -13.119 1.00 -0.06 C HETATM 1546 H11 LEU A 128 20.002 -3.092 -13.369 1.00 0.02 H HETATM 1547 H12 LEU A 128 19.238 -4.234 -12.213 1.00 0.02 H HETATM 1548 H13 LEU A 128 18.267 -2.909 -12.940 1.00 0.02 H HETATM 1549 H7 LEU A 128 18.511 -3.919 -15.160 1.00 0.03 H HETATM 1550 H5 LEU A 128 20.064 -6.084 -13.692 1.00 0.03 H HETATM 1551 H6 LEU A 128 19.476 -6.199 -15.386 1.00 0.03 H HETATM 1552 H4 LEU A 128 21.508 -4.195 -14.322 1.00 0.11 H HETATM 1553 H1 LEU A 128 20.199 -3.405 -16.131 1.00 0.20 H HETATM 1554 H2 LEU A 128 20.575 -4.722 -17.043 1.00 0.20 H HETATM 1555 H3 LEU A 128 21.755 -3.663 -16.601 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1496 1497 1553 1554 1555 CONECT 1497 1496 1498 1539 1552 CONECT 1498 1497 1499 1500 CONECT 1499 1498 CONECT 1500 1498 1501 1538 CONECT 1501 1500 1502 1524 1537 CONECT 1502 1501 1503 1504 CONECT 1503 1502 CONECT 1504 1502 1505 1523 CONECT 1505 1504 1506 1509 1522 CONECT 1506 1505 1507 1508 CONECT 1507 1506 CONECT 1508 1506 CONECT 1509 1505 1510 1520 1521 CONECT 1510 1509 1511 1515 1519 CONECT 1511 1510 1512 1513 1514 CONECT 1512 1511 CONECT 1513 1511 CONECT 1514 1511 CONECT 1515 1510 1516 1517 1518 CONECT 1516 1515 CONECT 1517 1515 CONECT 1518 1515 CONECT 1519 1510 CONECT 1520 1509 CONECT 1521 1509 CONECT 1522 1505 CONECT 1523 1504 CONECT 1524 1501 1525 1535 1536 CONECT 1525 1524 1526 1530 1534 CONECT 1526 1525 1527 1528 1529 CONECT 1527 1526 CONECT 1528 1526 CONECT 1529 1526 CONECT 1530 1525 1531 1532 1533 CONECT 1531 1530 CONECT 1532 1530 CONECT 1533 1530 CONECT 1534 1525 CONECT 1535 1524 CONECT 1536 1524 CONECT 1537 1501 CONECT 1538 1500 CONECT 1539 1497 1540 1550 1551 CONECT 1540 1539 1541 1545 1549 CONECT 1541 1540 1542 1543 1544 CONECT 1542 1541 CONECT 1543 1541 CONECT 1544 1541 CONECT 1545 1540 1546 1547 1548 CONECT 1546 1545 CONECT 1547 1545 CONECT 1548 1545 CONECT 1549 1540 CONECT 1550 1539 CONECT 1551 1539 CONECT 1552 1497 CONECT 1553 1496 CONECT 1554 1496 CONECT 1555 1496 MASTER 0 0 0 0 0 0 0 0 1554 1 64 7 END
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Protein
Pocket-Ligand
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Related entries of code: 3g19
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3dnj
RCSB PDB
PDBbind
85aa, >3DNJ_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1a1b
RCSB PDB
PDBbind
3-mer
1a1c
RCSB PDB
PDBbind
3-mer
1a30
RCSB PDB
PDBbind
3-mer
1at5
RCSB PDB
PDBbind
3-mer
1at6
RCSB PDB
PDBbind
3-mer
1b05
RCSB PDB
PDBbind
3-mer
1b0h
RCSB PDB
PDBbind
3-mer
1b1h
RCSB PDB
PDBbind
3-mer
1b2h
RCSB PDB
PDBbind
3-mer
1b32
RCSB PDB
PDBbind
3-mer
1b3f
RCSB PDB
PDBbind
3-mer
1b3g
RCSB PDB
PDBbind
3-mer
1b3h
RCSB PDB
PDBbind
3-mer
1b3l
RCSB PDB
PDBbind
3-mer
1b40
RCSB PDB
PDBbind
3-mer
1b46
RCSB PDB
PDBbind
3-mer
1b4h
RCSB PDB
PDBbind
3-mer
1b4z
RCSB PDB
PDBbind
3-mer
1b51
RCSB PDB
PDBbind
3-mer
1b52
RCSB PDB
PDBbind
3-mer
1b58
RCSB PDB
PDBbind
3-mer
1b5h
RCSB PDB
PDBbind
3-mer
1b5i
RCSB PDB
PDBbind
3-mer
1b5j
RCSB PDB
PDBbind
3-mer
1b6h
RCSB PDB
PDBbind
3-mer
1b7h
RCSB PDB
PDBbind
3-mer
1b9j
RCSB PDB
PDBbind
3-mer
1bm6
RCSB PDB
PDBbind
3-mer
1eub
RCSB PDB
PDBbind
3-mer
1fwu
RCSB PDB
PDBbind
3-mer
1fwv
RCSB PDB
PDBbind
3-mer
1gmy
RCSB PDB
PDBbind
3-mer
1hkj
RCSB PDB
PDBbind
3-mer
1hkk
RCSB PDB
PDBbind
3-mer
1hkm
RCSB PDB
PDBbind
3-mer
1jet
RCSB PDB
PDBbind
3-mer
1jeu
RCSB PDB
PDBbind
3-mer
1jev
RCSB PDB
PDBbind
3-mer
1jlx
RCSB PDB
PDBbind
3-mer
1jrs
RCSB PDB
PDBbind
3-mer
1kjr
RCSB PDB
PDBbind
3-mer
1kug
RCSB PDB
PDBbind
3-mer
1kui
RCSB PDB
PDBbind
3-mer
1kuk
RCSB PDB
PDBbind
3-mer
1ll4
RCSB PDB
PDBbind
3-mer
1m7d
RCSB PDB
PDBbind
3-mer
1mfa
RCSB PDB
PDBbind
3-mer
1mfd
RCSB PDB
PDBbind
3-mer
1nu8
RCSB PDB
PDBbind
3-mer
1ogg
RCSB PDB
PDBbind
3-mer
1qka
RCSB PDB
PDBbind
3-mer
1qkb
RCSB PDB
PDBbind
3-mer
1ule
RCSB PDB
PDBbind
3-mer
1ur9
RCSB PDB
PDBbind
3-mer
1ux7
RCSB PDB
PDBbind
3-mer
1uz8
RCSB PDB
PDBbind
3-mer
1w3l
RCSB PDB
PDBbind
3-mer
1y3g
RCSB PDB
PDBbind
3-mer
2euk
RCSB PDB
PDBbind
3-mer
2eum
RCSB PDB
PDBbind
3-mer
2evl
RCSB PDB
PDBbind
3-mer
2jdh
RCSB PDB
PDBbind
3-mer
2jdk
RCSB PDB
PDBbind
3-mer
2liq
RCSB PDB
PDBbind
3-mer
2olb
RCSB PDB
PDBbind
3-mer
2r2b
RCSB PDB
PDBbind
3-mer
2vxj
RCSB PDB
PDBbind
3-mer
2w68
RCSB PDB
PDBbind
3-mer
2w7y
RCSB PDB
PDBbind
3-mer
2wk2
RCSB PDB
PDBbind
3-mer
2wm0
RCSB PDB
PDBbind
3-mer
2xdw
RCSB PDB
PDBbind
3-mer
2xg3
RCSB PDB
PDBbind
3-mer
2yjq
RCSB PDB
PDBbind
3-mer
3afk
RCSB PDB
PDBbind
3-mer
3ap7
RCSB PDB
PDBbind
3-mer
3aya
RCSB PDB
PDBbind
3-mer
3ayd
RCSB PDB
PDBbind
3-mer
3gxy
RCSB PDB
PDBbind
3-mer
3m3c
RCSB PDB
PDBbind
3-mer
3m3e
RCSB PDB
PDBbind
3-mer
3m3o
RCSB PDB
PDBbind
3-mer
3mbp
RCSB PDB
PDBbind
3-mer
3rse
RCSB PDB
PDBbind
3-mer
3tcg
RCSB PDB
PDBbind
3-mer
4bgy
RCSB PDB
PDBbind
3-mer
4bh3
RCSB PDB
PDBbind
3-mer
4bh4
RCSB PDB
PDBbind
3-mer
4c1u
RCSB PDB
PDBbind
3-mer
4d2d
RCSB PDB
PDBbind
3-mer
4dj7
RCSB PDB
PDBbind
3-mer
4g0a
RCSB PDB
PDBbind
3-mer
4g68
RCSB PDB
PDBbind
3-mer
4gzw
RCSB PDB
PDBbind
3-mer
4hpi
RCSB PDB
PDBbind
3-mer
4hxj
RCSB PDB
PDBbind
3-mer
4igq
RCSB PDB
PDBbind
3-mer
4je8
RCSB PDB
PDBbind
3-mer
4k64
RCSB PDB
PDBbind
3-mer
4k67
RCSB PDB
PDBbind
3-mer
4lbl
RCSB PDB
PDBbind
3-mer
4lbo
RCSB PDB
PDBbind
3-mer
4lkg
RCSB PDB
PDBbind
3-mer
4lkj
RCSB PDB
PDBbind
3-mer
4m7j
RCSB PDB
PDBbind
3-mer
5glu
RCSB PDB
PDBbind
3-mer
5mxo
RCSB PDB
PDBbind
3-mer
5t54
RCSB PDB
PDBbind
3-mer
5tpb
RCSB PDB
PDBbind
3-mer
5ufc
RCSB PDB
PDBbind
3-mer
5xhs
RCSB PDB
PDBbind
3-mer
6df1
RCSB PDB
PDBbind
3-mer
6df2
RCSB PDB
PDBbind
3-mer
6fhu
RCSB PDB
PDBbind
3-mer
6m9c
RCSB PDB
PDBbind
3-mer
6m9d
RCSB PDB
PDBbind
3-mer
6phx
RCSB PDB
PDBbind
3-mer
6p7p
RCSB PDB
PDBbind
3-mer
6k2n
RCSB PDB
PDBbind
3-mer
6iht
RCSB PDB
PDBbind
3-mer
6idz
RCSB PDB
PDBbind
3-mer
6idb
RCSB PDB
PDBbind
3-mer
Entry Information
PDB ID
3g19
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
ATP-dependent Clp protease adapter protein clpS
Ligand Name
3-mer
EC.Number
E.C.-.-.-.-
Resolution
1.85(Å)
Affinity (Kd/Ki/IC50)
Kd=214nM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Proc.Natl.Acad.Sci.USA Vol. 106: pp. 8888-8893
Ligand Properties
Formula
C
1
8
H
3
6
N
3
O
4
Molecular Weight
358.496
Exact Mass
358.271
No. of atoms
61
No. of bonds
60
Polar Surface Area
123.14
LOGP Value
1.34 (
Computed with XLOGP3
)
1.57 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 0
Canonical SMILES
CC(C[C@@H](C(=O)N[C@H](C(=O)O)CC(C)C)NC(=O)[C@H](CC(C)C)[NH3+])C
InChI String
InChI=1S/C18H35N3O4/c1-10(2)7-13(19)16(22)20-14(8-11(3)4)17(23)21-15(18(24)25)9-12(5)6/h10-15H,7-9,19H2,1-6H3,(H,20,22)(H,21,23)(H,24,25)/p+1/t13-,14-,15-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9A5I0
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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