Browse entries in the PDBbind-CN Database
HEADER 2KAW_COMPLEX COMPND 2KAW_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 90 ASN ILE ILE THR VAL THR LEU ASN MET GLU ARG HIS HIS SEQRES 2 A 90 PHE LEU GLY ILE SER ILE VAL GLY GLN SER ASN ASP ARG SEQRES 3 A 90 GLY ASP GLY GLY ILE TYR ILE GLY SER ILE MET LYS GLY SEQRES 4 A 90 GLY ALA VAL ALA ALA ASP GLY ARG ILE GLU PRO GLY ASP SEQRES 5 A 90 MET LEU LEU GLN VAL ASN ASP VAL ASN PHE GLU ASN MET SEQRES 6 A 90 SER ASN ASP ASP ALA VAL ARG VAL LEU ARG GLU ILE VAL SEQRES 7 A 90 SER GLN THR GLY PRO ILE SER LEU THR VAL ALA LYS HET SUZ A 91 43 ATOM 1 N ASN A 1 4.817 13.034 7.742 1.00 0.00 N ATOM 2 CA ASN A 1 3.506 12.858 8.403 1.00 0.00 C ATOM 3 C ASN A 1 2.949 11.474 8.096 1.00 0.00 C ATOM 4 O ASN A 1 2.496 11.206 6.982 1.00 0.00 O ATOM 5 CB ASN A 1 2.529 13.935 7.920 1.00 0.00 C ATOM 6 CG ASN A 1 1.225 13.949 8.698 1.00 0.00 C ATOM 7 OD1 ASN A 1 1.045 13.198 9.653 1.00 0.00 O ATOM 8 ND2 ASN A 1 0.301 14.808 8.290 1.00 0.00 N ATOM 9 HA ASN A 1 3.637 12.955 9.481 1.00 0.00 H ATOM 10 HB2 ASN A 1 3.006 14.909 8.025 1.00 0.00 H ATOM 11 HB3 ASN A 1 2.304 13.754 6.869 1.00 0.00 H ATOM 12 HD22 ASN A 1 0.490 15.428 7.477 1.00 0.00 H ATOM 13 HD21 ASN A 1 -0.613 14.862 8.783 1.00 0.00 H ATOM 14 HN3 ASN A 1 4.702 12.931 6.713 1.00 0.00 H ATOM 15 HN2 ASN A 1 5.480 12.313 8.092 1.00 0.00 H ATOM 16 HN1 ASN A 1 5.188 13.981 7.958 1.00 0.00 H ATOM 17 N ILE A 2 3.003 10.595 9.085 1.00 0.00 N ATOM 18 CA ILE A 2 2.504 9.239 8.932 1.00 0.00 C ATOM 19 C ILE A 2 1.007 9.188 9.211 1.00 0.00 C ATOM 20 O ILE A 2 0.546 9.638 10.263 1.00 0.00 O ATOM 21 CB ILE A 2 3.246 8.264 9.870 1.00 0.00 C ATOM 22 CG1 ILE A 2 4.735 8.241 9.523 1.00 0.00 C ATOM 23 CG2 ILE A 2 2.653 6.867 9.772 1.00 0.00 C ATOM 24 CD1 ILE A 2 5.571 7.423 10.480 1.00 0.00 C ATOM 25 HA ILE A 2 2.686 8.931 7.902 1.00 0.00 H ATOM 26 HB ILE A 2 3.128 8.609 10.897 1.00 0.00 H ATOM 27 HG12 ILE A 2 4.849 7.823 8.523 1.00 0.00 H ATOM 28 HG13 ILE A 2 5.106 9.266 9.531 1.00 0.00 H ATOM 29 HD11 ILE A 2 5.478 7.835 11.485 1.00 0.00 H ATOM 30 HD12 ILE A 2 5.221 6.391 10.475 1.00 0.00 H ATOM 31 HD13 ILE A 2 6.615 7.455 10.168 1.00 0.00 H ATOM 32 HG21 ILE A 2 1.601 6.899 10.057 1.00 0.00 H ATOM 33 HG22 ILE A 2 2.742 6.507 8.747 1.00 0.00 H ATOM 34 HG23 ILE A 2 3.192 6.197 10.442 1.00 0.00 H ATOM 35 H ILE A 2 3.414 10.883 9.996 1.00 0.00 H ATOM 36 N ILE A 3 0.252 8.653 8.261 1.00 0.00 N ATOM 37 CA ILE A 3 -1.194 8.556 8.392 1.00 0.00 C ATOM 38 C ILE A 3 -1.665 7.130 8.117 1.00 0.00 C ATOM 39 O ILE A 3 -1.233 6.502 7.151 1.00 0.00 O ATOM 40 CB ILE A 3 -1.909 9.525 7.421 1.00 0.00 C ATOM 41 CG1 ILE A 3 -1.382 10.953 7.605 1.00 0.00 C ATOM 42 CG2 ILE A 3 -3.419 9.484 7.626 1.00 0.00 C ATOM 43 CD1 ILE A 3 -2.050 11.970 6.707 1.00 0.00 C ATOM 44 HA ILE A 3 -1.448 8.831 9.416 1.00 0.00 H ATOM 45 HB ILE A 3 -1.696 9.204 6.402 1.00 0.00 H ATOM 46 HG12 ILE A 3 -1.545 11.249 8.641 1.00 0.00 H ATOM 47 HG13 ILE A 3 -0.313 10.955 7.392 1.00 0.00 H ATOM 48 HD11 ILE A 3 -1.886 11.696 5.665 1.00 0.00 H ATOM 49 HD12 ILE A 3 -3.120 11.990 6.915 1.00 0.00 H ATOM 50 HD13 ILE A 3 -1.624 12.955 6.896 1.00 0.00 H ATOM 51 HG21 ILE A 3 -3.782 8.473 7.443 1.00 0.00 H ATOM 52 HG22 ILE A 3 -3.653 9.776 8.650 1.00 0.00 H ATOM 53 HG23 ILE A 3 -3.898 10.174 6.931 1.00 0.00 H ATOM 54 H ILE A 3 0.706 8.292 7.398 1.00 0.00 H ATOM 55 N THR A 4 -2.535 6.622 8.977 1.00 0.00 N ATOM 56 CA THR A 4 -3.071 5.278 8.824 1.00 0.00 C ATOM 57 C THR A 4 -4.517 5.344 8.340 1.00 0.00 C ATOM 58 O THR A 4 -5.367 5.946 8.995 1.00 0.00 O ATOM 59 CB THR A 4 -3.019 4.499 10.154 1.00 0.00 C ATOM 60 OG1 THR A 4 -1.906 4.946 10.943 1.00 0.00 O ATOM 61 CG2 THR A 4 -2.901 3.001 9.905 1.00 0.00 C ATOM 62 HA THR A 4 -2.456 4.757 8.090 1.00 0.00 H ATOM 63 HB THR A 4 -3.947 4.688 10.694 1.00 0.00 H ATOM 64 HG1 THR A 4 -1.882 4.440 11.794 1.00 0.00 H ATOM 65 HG23 THR A 4 -3.748 2.666 9.306 1.00 0.00 H ATOM 66 HG21 THR A 4 -1.973 2.795 9.372 1.00 0.00 H ATOM 67 HG22 THR A 4 -2.898 2.474 10.859 1.00 0.00 H ATOM 68 H THR A 4 -2.844 7.200 9.784 1.00 0.00 H ATOM 69 N VAL A 5 -4.791 4.746 7.191 1.00 0.00 N ATOM 70 CA VAL A 5 -6.140 4.754 6.639 1.00 0.00 C ATOM 71 C VAL A 5 -6.729 3.346 6.619 1.00 0.00 C ATOM 72 O VAL A 5 -6.031 2.376 6.328 1.00 0.00 O ATOM 73 CB VAL A 5 -6.174 5.344 5.209 1.00 0.00 C ATOM 74 CG1 VAL A 5 -5.582 6.743 5.186 1.00 0.00 C ATOM 75 CG2 VAL A 5 -5.443 4.445 4.226 1.00 0.00 C ATOM 76 HA VAL A 5 -6.742 5.390 7.288 1.00 0.00 H ATOM 77 HB VAL A 5 -7.218 5.405 4.902 1.00 0.00 H ATOM 78 HG11 VAL A 5 -6.158 7.391 5.847 1.00 0.00 H ATOM 79 HG12 VAL A 5 -4.547 6.704 5.525 1.00 0.00 H ATOM 80 HG13 VAL A 5 -5.618 7.135 4.169 1.00 0.00 H ATOM 81 HG21 VAL A 5 -4.403 4.341 4.535 1.00 0.00 H ATOM 82 HG22 VAL A 5 -5.919 3.464 4.210 1.00 0.00 H ATOM 83 HG23 VAL A 5 -5.485 4.887 3.231 1.00 0.00 H ATOM 84 H VAL A 5 -4.030 4.262 6.673 1.00 0.00 H ATOM 85 N THR A 6 -8.000 3.234 6.955 1.00 0.00 N ATOM 86 CA THR A 6 -8.672 1.947 6.950 1.00 0.00 C ATOM 87 C THR A 6 -9.620 1.865 5.761 1.00 0.00 C ATOM 88 O THR A 6 -10.665 2.518 5.736 1.00 0.00 O ATOM 89 CB THR A 6 -9.450 1.713 8.254 1.00 0.00 C ATOM 90 OG1 THR A 6 -8.640 2.094 9.372 1.00 0.00 O ATOM 91 CG2 THR A 6 -9.850 0.254 8.390 1.00 0.00 C ATOM 92 HA THR A 6 -7.912 1.170 6.868 1.00 0.00 H ATOM 93 HB THR A 6 -10.355 2.320 8.230 1.00 0.00 H ATOM 94 HG1 THR A 6 -9.144 1.942 10.210 1.00 0.00 H ATOM 95 HG23 THR A 6 -10.466 -0.033 7.538 1.00 0.00 H ATOM 96 HG21 THR A 6 -8.954 -0.366 8.418 1.00 0.00 H ATOM 97 HG22 THR A 6 -10.416 0.118 9.312 1.00 0.00 H ATOM 98 H THR A 6 -8.531 4.085 7.229 1.00 0.00 H ATOM 99 N LEU A 7 -9.245 1.070 4.775 1.00 0.00 N ATOM 100 CA LEU A 7 -10.041 0.923 3.570 1.00 0.00 C ATOM 101 C LEU A 7 -11.113 -0.145 3.735 1.00 0.00 C ATOM 102 O LEU A 7 -10.862 -1.215 4.291 1.00 0.00 O ATOM 103 CB LEU A 7 -9.135 0.576 2.388 1.00 0.00 C ATOM 104 CG LEU A 7 -7.969 1.537 2.161 1.00 0.00 C ATOM 105 CD1 LEU A 7 -7.079 1.026 1.045 1.00 0.00 C ATOM 106 CD2 LEU A 7 -8.472 2.938 1.844 1.00 0.00 C ATOM 107 HA LEU A 7 -10.542 1.872 3.380 1.00 0.00 H ATOM 108 HB2 LEU A 7 -8.724 -0.419 2.558 1.00 0.00 H ATOM 109 HB3 LEU A 7 -9.746 0.567 1.485 1.00 0.00 H ATOM 110 HG LEU A 7 -7.384 1.589 3.079 1.00 0.00 H ATOM 111 HD21 LEU A 7 -9.082 2.908 0.941 1.00 0.00 H ATOM 112 HD22 LEU A 7 -9.071 3.305 2.677 1.00 0.00 H ATOM 113 HD23 LEU A 7 -7.621 3.601 1.687 1.00 0.00 H ATOM 114 HD11 LEU A 7 -6.687 0.046 1.315 1.00 0.00 H ATOM 115 HD12 LEU A 7 -7.660 0.946 0.126 1.00 0.00 H ATOM 116 HD13 LEU A 7 -6.253 1.721 0.894 1.00 0.00 H ATOM 117 H LEU A 7 -8.357 0.536 4.864 1.00 0.00 H ATOM 118 N ASN A 8 -12.305 0.160 3.245 1.00 0.00 N ATOM 119 CA ASN A 8 -13.430 -0.759 3.313 1.00 0.00 C ATOM 120 C ASN A 8 -13.400 -1.696 2.114 1.00 0.00 C ATOM 121 O ASN A 8 -13.573 -1.259 0.976 1.00 0.00 O ATOM 122 CB ASN A 8 -14.751 0.018 3.340 1.00 0.00 C ATOM 123 CG ASN A 8 -15.966 -0.885 3.233 1.00 0.00 C ATOM 124 OD1 ASN A 8 -16.388 -1.260 2.136 1.00 0.00 O ATOM 125 ND2 ASN A 8 -16.543 -1.236 4.369 1.00 0.00 N ATOM 126 HA ASN A 8 -13.353 -1.345 4.229 1.00 0.00 H ATOM 127 HB2 ASN A 8 -14.810 0.573 4.276 1.00 0.00 H ATOM 128 HB3 ASN A 8 -14.761 0.717 2.504 1.00 0.00 H ATOM 129 HD22 ASN A 8 -16.157 -0.899 5.274 1.00 0.00 H ATOM 130 HD21 ASN A 8 -17.383 -1.849 4.358 1.00 0.00 H ATOM 131 H ASN A 8 -12.441 1.088 2.796 1.00 0.00 H ATOM 132 N MET A 9 -13.189 -2.976 2.371 1.00 0.00 N ATOM 133 CA MET A 9 -13.120 -3.967 1.302 1.00 0.00 C ATOM 134 C MET A 9 -14.451 -4.685 1.120 1.00 0.00 C ATOM 135 O MET A 9 -14.519 -5.722 0.461 1.00 0.00 O ATOM 136 CB MET A 9 -12.007 -4.978 1.580 1.00 0.00 C ATOM 137 CG MET A 9 -10.617 -4.427 1.312 1.00 0.00 C ATOM 138 SD MET A 9 -10.401 -3.858 -0.385 1.00 0.00 S ATOM 139 CE MET A 9 -10.515 -5.408 -1.273 1.00 0.00 C ATOM 140 HA MET A 9 -12.895 -3.439 0.376 1.00 0.00 H ATOM 141 HB2 MET A 9 -12.065 -5.279 2.626 1.00 0.00 H ATOM 142 HB3 MET A 9 -12.163 -5.849 0.944 1.00 0.00 H ATOM 143 HG2 MET A 9 -9.887 -5.212 1.511 1.00 0.00 H ATOM 144 HG3 MET A 9 -10.440 -3.588 1.985 1.00 0.00 H ATOM 145 HE1 MET A 9 -9.726 -6.079 -0.933 1.00 0.00 H ATOM 146 HE2 MET A 9 -11.487 -5.863 -1.084 1.00 0.00 H ATOM 147 HE3 MET A 9 -10.400 -5.223 -2.341 1.00 0.00 H ATOM 148 H MET A 9 -13.070 -3.283 3.357 1.00 0.00 H ATOM 149 N GLU A 10 -15.504 -4.140 1.715 1.00 0.00 N ATOM 150 CA GLU A 10 -16.832 -4.725 1.595 1.00 0.00 C ATOM 151 C GLU A 10 -17.500 -4.208 0.326 1.00 0.00 C ATOM 152 O GLU A 10 -18.040 -4.975 -0.474 1.00 0.00 O ATOM 153 CB GLU A 10 -17.686 -4.380 2.820 1.00 0.00 C ATOM 154 CG GLU A 10 -17.075 -4.820 4.140 1.00 0.00 C ATOM 155 CD GLU A 10 -16.661 -6.275 4.133 1.00 0.00 C ATOM 156 OE1 GLU A 10 -17.544 -7.152 4.215 1.00 0.00 O ATOM 157 OE2 GLU A 10 -15.449 -6.551 4.049 1.00 0.00 O ATOM 158 HA GLU A 10 -16.738 -5.810 1.540 1.00 0.00 H ATOM 159 HB2 GLU A 10 -17.824 -3.299 2.849 1.00 0.00 H ATOM 160 HB3 GLU A 10 -18.655 -4.866 2.711 1.00 0.00 H ATOM 161 HG2 GLU A 10 -16.196 -4.207 4.339 1.00 0.00 H ATOM 162 HG3 GLU A 10 -17.809 -4.669 4.932 1.00 0.00 H ATOM 163 H GLU A 10 -15.378 -3.276 2.280 1.00 0.00 H ATOM 164 N ARG A 11 -17.448 -2.898 0.150 1.00 0.00 N ATOM 165 CA ARG A 11 -18.028 -2.256 -1.017 1.00 0.00 C ATOM 166 C ARG A 11 -16.986 -2.125 -2.129 1.00 0.00 C ATOM 167 O ARG A 11 -17.322 -2.063 -3.310 1.00 0.00 O ATOM 168 CB ARG A 11 -18.582 -0.877 -0.638 1.00 0.00 C ATOM 169 CG ARG A 11 -18.977 -0.025 -1.833 1.00 0.00 C ATOM 170 CD ARG A 11 -19.496 1.338 -1.417 1.00 0.00 C ATOM 171 NE ARG A 11 -19.604 2.245 -2.558 1.00 0.00 N ATOM 172 CZ ARG A 11 -19.855 3.548 -2.449 1.00 0.00 C ATOM 173 NH1 ARG A 11 -20.039 4.096 -1.257 1.00 0.00 N ATOM 174 NH2 ARG A 11 -19.915 4.306 -3.536 1.00 0.00 N ATOM 175 HA ARG A 11 -18.847 -2.874 -1.385 1.00 0.00 H ATOM 176 HB2 ARG A 11 -19.463 -1.020 -0.012 1.00 0.00 H ATOM 177 HB3 ARG A 11 -17.818 -0.343 -0.072 1.00 0.00 H ATOM 178 HG2 ARG A 11 -18.104 0.111 -2.472 1.00 0.00 H ATOM 179 HG3 ARG A 11 -19.757 -0.543 -2.391 1.00 0.00 H ATOM 180 HD2 ARG A 11 -18.812 1.769 -0.686 1.00 0.00 H ATOM 181 HD3 ARG A 11 -20.481 1.219 -0.965 1.00 0.00 H ATOM 182 HE ARG A 11 -19.477 1.849 -3.511 1.00 0.00 H ATOM 183 HH12 ARG A 11 -20.235 5.114 -1.177 1.00 0.00 H ATOM 184 HH11 ARG A 11 -19.988 3.508 -0.401 1.00 0.00 H ATOM 185 HH22 ARG A 11 -20.111 5.324 -3.450 1.00 0.00 H ATOM 186 HH21 ARG A 11 -19.766 3.883 -4.474 1.00 0.00 H ATOM 187 H ARG A 11 -16.978 -2.310 0.868 1.00 0.00 H ATOM 188 N HIS A 12 -15.717 -2.103 -1.746 1.00 0.00 N ATOM 189 CA HIS A 12 -14.638 -1.969 -2.714 1.00 0.00 C ATOM 190 C HIS A 12 -14.000 -3.321 -2.979 1.00 0.00 C ATOM 191 O HIS A 12 -13.846 -4.136 -2.071 1.00 0.00 O ATOM 192 CB HIS A 12 -13.582 -0.978 -2.214 1.00 0.00 C ATOM 193 CG HIS A 12 -14.126 0.387 -1.930 1.00 0.00 C ATOM 194 ND1 HIS A 12 -14.341 0.857 -0.653 1.00 0.00 N ATOM 195 CD2 HIS A 12 -14.506 1.383 -2.763 1.00 0.00 C ATOM 196 CE1 HIS A 12 -14.837 2.078 -0.712 1.00 0.00 C ATOM 197 NE2 HIS A 12 -14.947 2.421 -1.980 1.00 0.00 N ATOM 198 HA HIS A 12 -15.058 -1.587 -3.644 1.00 0.00 H ATOM 199 HB2 HIS A 12 -13.146 -1.373 -1.296 1.00 0.00 H ATOM 200 HB3 HIS A 12 -12.806 -0.888 -2.974 1.00 0.00 H ATOM 201 HD2 HIS A 12 -14.469 1.365 -3.852 1.00 0.00 H ATOM 202 HE1 HIS A 12 -15.109 2.698 0.142 1.00 0.00 H ATOM 203 H HIS A 12 -15.488 -2.183 -0.735 1.00 0.00 H ATOM 204 N HIS A 13 -13.653 -3.562 -4.231 1.00 0.00 N ATOM 205 CA HIS A 13 -13.030 -4.817 -4.623 1.00 0.00 C ATOM 206 C HIS A 13 -11.534 -4.636 -4.831 1.00 0.00 C ATOM 207 O HIS A 13 -10.759 -5.573 -4.650 1.00 0.00 O ATOM 208 CB HIS A 13 -13.679 -5.366 -5.895 1.00 0.00 C ATOM 209 CG HIS A 13 -14.982 -6.061 -5.643 1.00 0.00 C ATOM 210 ND1 HIS A 13 -15.246 -7.344 -6.071 1.00 0.00 N ATOM 211 CD2 HIS A 13 -16.101 -5.648 -5.000 1.00 0.00 C ATOM 212 CE1 HIS A 13 -16.466 -7.687 -5.704 1.00 0.00 C ATOM 213 NE2 HIS A 13 -17.007 -6.676 -5.052 1.00 0.00 N ATOM 214 HA HIS A 13 -13.181 -5.535 -3.817 1.00 0.00 H ATOM 215 HB2 HIS A 13 -13.856 -4.536 -6.579 1.00 0.00 H ATOM 216 HB3 HIS A 13 -12.992 -6.075 -6.356 1.00 0.00 H ATOM 217 HD2 HIS A 13 -16.253 -4.677 -4.528 1.00 0.00 H ATOM 218 HE1 HIS A 13 -16.946 -8.645 -5.906 1.00 0.00 H ATOM 219 H HIS A 13 -13.830 -2.836 -4.955 1.00 0.00 H ATOM 220 N PHE A 14 -11.132 -3.431 -5.215 1.00 0.00 N ATOM 221 CA PHE A 14 -9.724 -3.132 -5.430 1.00 0.00 C ATOM 222 C PHE A 14 -9.355 -1.822 -4.749 1.00 0.00 C ATOM 223 O PHE A 14 -10.214 -0.973 -4.508 1.00 0.00 O ATOM 224 CB PHE A 14 -9.376 -3.096 -6.928 1.00 0.00 C ATOM 225 CG PHE A 14 -10.125 -2.076 -7.746 1.00 0.00 C ATOM 226 CD1 PHE A 14 -11.412 -2.330 -8.197 1.00 0.00 C ATOM 227 CD2 PHE A 14 -9.528 -0.871 -8.086 1.00 0.00 C ATOM 228 CE1 PHE A 14 -12.089 -1.402 -8.966 1.00 0.00 C ATOM 229 CE2 PHE A 14 -10.199 0.058 -8.859 1.00 0.00 C ATOM 230 CZ PHE A 14 -11.482 -0.206 -9.297 1.00 0.00 C ATOM 231 HA PHE A 14 -9.135 -3.933 -4.983 1.00 0.00 H ATOM 232 HB2 PHE A 14 -8.311 -2.884 -7.020 1.00 0.00 H ATOM 233 HB3 PHE A 14 -9.586 -4.081 -7.345 1.00 0.00 H ATOM 234 HD2 PHE A 14 -8.518 -0.654 -7.739 1.00 0.00 H ATOM 235 HE2 PHE A 14 -9.716 0.999 -9.123 1.00 0.00 H ATOM 236 HZ PHE A 14 -12.014 0.528 -9.902 1.00 0.00 H ATOM 237 HE1 PHE A 14 -13.101 -1.614 -9.311 1.00 0.00 H ATOM 238 HD1 PHE A 14 -11.895 -3.273 -7.942 1.00 0.00 H ATOM 239 H PHE A 14 -11.839 -2.683 -5.366 1.00 0.00 H ATOM 240 N LEU A 15 -8.079 -1.665 -4.436 1.00 0.00 N ATOM 241 CA LEU A 15 -7.604 -0.467 -3.761 1.00 0.00 C ATOM 242 C LEU A 15 -7.405 0.674 -4.751 1.00 0.00 C ATOM 243 O LEU A 15 -7.681 1.833 -4.439 1.00 0.00 O ATOM 244 CB LEU A 15 -6.296 -0.761 -3.022 1.00 0.00 C ATOM 245 CG LEU A 15 -6.285 -2.041 -2.180 1.00 0.00 C ATOM 246 CD1 LEU A 15 -4.921 -2.236 -1.530 1.00 0.00 C ATOM 247 CD2 LEU A 15 -7.384 -1.999 -1.127 1.00 0.00 C ATOM 248 HA LEU A 15 -8.359 -0.161 -3.037 1.00 0.00 H ATOM 249 HB2 LEU A 15 -5.502 -0.841 -3.764 1.00 0.00 H ATOM 250 HB3 LEU A 15 -6.089 0.079 -2.359 1.00 0.00 H ATOM 251 HG LEU A 15 -6.477 -2.890 -2.837 1.00 0.00 H ATOM 252 HD21 LEU A 15 -7.225 -1.143 -0.471 1.00 0.00 H ATOM 253 HD22 LEU A 15 -8.353 -1.907 -1.618 1.00 0.00 H ATOM 254 HD23 LEU A 15 -7.359 -2.917 -0.540 1.00 0.00 H ATOM 255 HD11 LEU A 15 -4.158 -2.313 -2.305 1.00 0.00 H ATOM 256 HD12 LEU A 15 -4.702 -1.384 -0.886 1.00 0.00 H ATOM 257 HD13 LEU A 15 -4.930 -3.150 -0.936 1.00 0.00 H ATOM 258 H LEU A 15 -7.400 -2.415 -4.678 1.00 0.00 H ATOM 259 N GLY A 16 -6.937 0.333 -5.946 1.00 0.00 N ATOM 260 CA GLY A 16 -6.699 1.329 -6.968 1.00 0.00 C ATOM 261 C GLY A 16 -5.441 2.136 -6.715 1.00 0.00 C ATOM 262 O GLY A 16 -5.474 3.358 -6.771 1.00 0.00 O ATOM 263 HA3 GLY A 16 -7.550 2.009 -6.998 1.00 0.00 H ATOM 264 HA2 GLY A 16 -6.604 0.826 -7.930 1.00 0.00 H ATOM 265 H GLY A 16 -6.738 -0.667 -6.151 1.00 0.00 H ATOM 266 N ILE A 17 -4.334 1.455 -6.438 1.00 0.00 N ATOM 267 CA ILE A 17 -3.057 2.133 -6.172 1.00 0.00 C ATOM 268 C ILE A 17 -1.889 1.284 -6.636 1.00 0.00 C ATOM 269 O ILE A 17 -1.537 0.302 -5.986 1.00 0.00 O ATOM 270 CB ILE A 17 -2.853 2.453 -4.673 1.00 0.00 C ATOM 271 CG1 ILE A 17 -3.440 1.344 -3.793 1.00 0.00 C ATOM 272 CG2 ILE A 17 -3.449 3.808 -4.322 1.00 0.00 C ATOM 273 CD1 ILE A 17 -2.830 1.285 -2.409 1.00 0.00 C ATOM 274 HA ILE A 17 -3.095 3.070 -6.727 1.00 0.00 H ATOM 275 HB ILE A 17 -1.782 2.500 -4.479 1.00 0.00 H ATOM 276 HG12 ILE A 17 -4.512 1.515 -3.691 1.00 0.00 H ATOM 277 HG13 ILE A 17 -3.271 0.386 -4.286 1.00 0.00 H ATOM 278 HD11 ILE A 17 -1.759 1.103 -2.493 1.00 0.00 H ATOM 279 HD12 ILE A 17 -3.000 2.233 -1.898 1.00 0.00 H ATOM 280 HD13 ILE A 17 -3.294 0.477 -1.843 1.00 0.00 H ATOM 281 HG21 ILE A 17 -2.963 4.582 -4.916 1.00 0.00 H ATOM 282 HG22 ILE A 17 -4.517 3.800 -4.537 1.00 0.00 H ATOM 283 HG23 ILE A 17 -3.292 4.009 -3.262 1.00 0.00 H ATOM 284 H ILE A 17 -4.372 0.416 -6.409 1.00 0.00 H ATOM 285 N SER A 18 -1.293 1.645 -7.762 1.00 0.00 N ATOM 286 CA SER A 18 -0.179 0.874 -8.287 1.00 0.00 C ATOM 287 C SER A 18 1.079 1.105 -7.452 1.00 0.00 C ATOM 288 O SER A 18 1.561 2.228 -7.317 1.00 0.00 O ATOM 289 CB SER A 18 0.049 1.192 -9.769 1.00 0.00 C ATOM 290 OG SER A 18 0.341 2.570 -9.970 1.00 0.00 O ATOM 291 HA SER A 18 -0.424 -0.186 -8.217 1.00 0.00 H ATOM 292 HB2 SER A 18 -0.850 0.935 -10.329 1.00 0.00 H ATOM 293 HB3 SER A 18 0.885 0.596 -10.134 1.00 0.00 H ATOM 294 HG SER A 18 1.161 2.809 -9.469 1.00 0.00 H ATOM 295 H SER A 18 -1.625 2.487 -8.275 1.00 0.00 H ATOM 296 N ILE A 19 1.577 0.028 -6.858 1.00 0.00 N ATOM 297 CA ILE A 19 2.768 0.087 -6.015 1.00 0.00 C ATOM 298 C ILE A 19 4.039 0.184 -6.857 1.00 0.00 C ATOM 299 O ILE A 19 4.248 -0.610 -7.773 1.00 0.00 O ATOM 300 CB ILE A 19 2.876 -1.154 -5.101 1.00 0.00 C ATOM 301 CG1 ILE A 19 1.495 -1.571 -4.578 1.00 0.00 C ATOM 302 CG2 ILE A 19 3.820 -0.869 -3.942 1.00 0.00 C ATOM 303 CD1 ILE A 19 0.808 -0.517 -3.732 1.00 0.00 C ATOM 304 HA ILE A 19 2.669 0.981 -5.400 1.00 0.00 H ATOM 305 HB ILE A 19 3.278 -1.980 -5.688 1.00 0.00 H ATOM 306 HG12 ILE A 19 0.857 -1.792 -5.434 1.00 0.00 H ATOM 307 HG13 ILE A 19 1.615 -2.470 -3.974 1.00 0.00 H ATOM 308 HD11 ILE A 19 1.426 -0.291 -2.863 1.00 0.00 H ATOM 309 HD12 ILE A 19 0.667 0.387 -4.324 1.00 0.00 H ATOM 310 HD13 ILE A 19 -0.161 -0.892 -3.403 1.00 0.00 H ATOM 311 HG21 ILE A 19 4.808 -0.624 -4.332 1.00 0.00 H ATOM 312 HG22 ILE A 19 3.438 -0.029 -3.362 1.00 0.00 H ATOM 313 HG23 ILE A 19 3.888 -1.751 -3.305 1.00 0.00 H ATOM 314 H ILE A 19 1.104 -0.888 -6.997 1.00 0.00 H ATOM 315 N VAL A 20 4.876 1.162 -6.552 1.00 0.00 N ATOM 316 CA VAL A 20 6.126 1.348 -7.271 1.00 0.00 C ATOM 317 C VAL A 20 7.311 1.189 -6.323 1.00 0.00 C ATOM 318 O VAL A 20 7.458 1.956 -5.369 1.00 0.00 O ATOM 319 CB VAL A 20 6.195 2.740 -7.935 1.00 0.00 C ATOM 320 CG1 VAL A 20 7.408 2.842 -8.846 1.00 0.00 C ATOM 321 CG2 VAL A 20 4.919 3.035 -8.709 1.00 0.00 C ATOM 322 HA VAL A 20 6.170 0.587 -8.050 1.00 0.00 H ATOM 323 HB VAL A 20 6.295 3.486 -7.146 1.00 0.00 H ATOM 324 HG11 VAL A 20 8.314 2.685 -8.261 1.00 0.00 H ATOM 325 HG12 VAL A 20 7.341 2.083 -9.625 1.00 0.00 H ATOM 326 HG13 VAL A 20 7.436 3.831 -9.303 1.00 0.00 H ATOM 327 HG21 VAL A 20 4.784 2.282 -9.485 1.00 0.00 H ATOM 328 HG22 VAL A 20 4.069 3.013 -8.027 1.00 0.00 H ATOM 329 HG23 VAL A 20 4.993 4.021 -9.167 1.00 0.00 H ATOM 330 H VAL A 20 4.634 1.814 -5.779 1.00 0.00 H ATOM 331 N GLY A 21 8.145 0.191 -6.579 1.00 0.00 N ATOM 332 CA GLY A 21 9.303 -0.039 -5.737 1.00 0.00 C ATOM 333 C GLY A 21 10.495 0.784 -6.180 1.00 0.00 C ATOM 334 O GLY A 21 10.847 0.794 -7.360 1.00 0.00 O ATOM 335 HA3 GLY A 21 9.567 -1.095 -5.782 1.00 0.00 H ATOM 336 HA2 GLY A 21 9.052 0.228 -4.711 1.00 0.00 H ATOM 337 H GLY A 21 7.967 -0.433 -7.392 1.00 0.00 H ATOM 338 N GLN A 22 11.110 1.485 -5.240 1.00 0.00 N ATOM 339 CA GLN A 22 12.261 2.321 -5.546 1.00 0.00 C ATOM 340 C GLN A 22 13.550 1.516 -5.443 1.00 0.00 C ATOM 341 O GLN A 22 13.918 1.050 -4.366 1.00 0.00 O ATOM 342 CB GLN A 22 12.308 3.523 -4.603 1.00 0.00 C ATOM 343 CG GLN A 22 13.294 4.593 -5.038 1.00 0.00 C ATOM 344 CD GLN A 22 13.155 5.879 -4.246 1.00 0.00 C ATOM 345 OE1 GLN A 22 13.357 6.971 -4.779 1.00 0.00 O ATOM 346 NE2 GLN A 22 12.812 5.767 -2.971 1.00 0.00 N ATOM 347 HA GLN A 22 12.163 2.683 -6.569 1.00 0.00 H ATOM 348 HB2 GLN A 22 11.313 3.967 -4.559 1.00 0.00 H ATOM 349 HB3 GLN A 22 12.593 3.173 -3.611 1.00 0.00 H ATOM 350 HG2 GLN A 22 14.306 4.209 -4.905 1.00 0.00 H ATOM 351 HG3 GLN A 22 13.126 4.813 -6.092 1.00 0.00 H ATOM 352 HE22 GLN A 22 12.650 4.827 -2.557 1.00 0.00 H ATOM 353 HE21 GLN A 22 12.705 6.619 -2.385 1.00 0.00 H ATOM 354 H GLN A 22 10.763 1.437 -4.261 1.00 0.00 H ATOM 355 N SER A 23 14.229 1.363 -6.568 1.00 0.00 N ATOM 356 CA SER A 23 15.470 0.606 -6.624 1.00 0.00 C ATOM 357 C SER A 23 16.677 1.542 -6.732 1.00 0.00 C ATOM 358 O SER A 23 16.633 2.558 -7.435 1.00 0.00 O ATOM 359 CB SER A 23 15.429 -0.348 -7.821 1.00 0.00 C ATOM 360 OG SER A 23 14.106 -0.810 -8.062 1.00 0.00 O ATOM 361 HA SER A 23 15.574 0.031 -5.704 1.00 0.00 H ATOM 362 HB2 SER A 23 16.074 -1.203 -7.617 1.00 0.00 H ATOM 363 HB3 SER A 23 15.791 0.175 -8.706 1.00 0.00 H ATOM 364 HG SER A 23 14.108 -1.423 -8.839 1.00 0.00 H ATOM 365 H SER A 23 13.864 1.797 -7.440 1.00 0.00 H ATOM 366 N ASN A 24 17.751 1.195 -6.034 1.00 0.00 N ATOM 367 CA ASN A 24 18.975 1.990 -6.049 1.00 0.00 C ATOM 368 C ASN A 24 20.183 1.083 -5.827 1.00 0.00 C ATOM 369 O ASN A 24 20.066 -0.141 -5.927 1.00 0.00 O ATOM 370 CB ASN A 24 18.929 3.077 -4.972 1.00 0.00 C ATOM 371 CG ASN A 24 19.723 4.312 -5.365 1.00 0.00 C ATOM 372 OD1 ASN A 24 19.712 4.730 -6.520 1.00 0.00 O ATOM 373 ND2 ASN A 24 20.437 4.888 -4.411 1.00 0.00 N ATOM 374 HA ASN A 24 19.063 2.475 -7.021 1.00 0.00 H ATOM 375 HB2 ASN A 24 17.891 3.365 -4.808 1.00 0.00 H ATOM 376 HB3 ASN A 24 19.343 2.673 -4.048 1.00 0.00 H ATOM 377 HD22 ASN A 24 20.420 4.504 -3.445 1.00 0.00 H ATOM 378 HD21 ASN A 24 21.015 5.725 -4.628 1.00 0.00 H ATOM 379 H ASN A 24 17.720 0.329 -5.458 1.00 0.00 H ATOM 380 N ASP A 25 21.336 1.674 -5.530 1.00 0.00 N ATOM 381 CA ASP A 25 22.553 0.902 -5.294 1.00 0.00 C ATOM 382 C ASP A 25 22.384 -0.030 -4.097 1.00 0.00 C ATOM 383 O ASP A 25 22.764 -1.201 -4.156 1.00 0.00 O ATOM 384 CB ASP A 25 23.750 1.829 -5.074 1.00 0.00 C ATOM 385 CG ASP A 25 24.360 2.310 -6.376 1.00 0.00 C ATOM 386 OD1 ASP A 25 25.009 1.501 -7.071 1.00 0.00 O ATOM 387 OD2 ASP A 25 24.189 3.501 -6.716 1.00 0.00 O ATOM 388 HA ASP A 25 22.740 0.296 -6.180 1.00 0.00 H ATOM 389 HB2 ASP A 25 23.420 2.696 -4.501 1.00 0.00 H ATOM 390 HB3 ASP A 25 24.511 1.290 -4.510 1.00 0.00 H ATOM 391 H ASP A 25 21.372 2.711 -5.464 1.00 0.00 H ATOM 392 N ARG A 26 21.805 0.484 -3.016 1.00 0.00 N ATOM 393 CA ARG A 26 21.577 -0.322 -1.820 1.00 0.00 C ATOM 394 C ARG A 26 20.400 -1.272 -2.035 1.00 0.00 C ATOM 395 O ARG A 26 20.583 -2.485 -2.103 1.00 0.00 O ATOM 396 CB ARG A 26 21.328 0.567 -0.601 1.00 0.00 C ATOM 397 CG ARG A 26 22.559 1.322 -0.131 1.00 0.00 C ATOM 398 CD ARG A 26 23.543 0.405 0.572 1.00 0.00 C ATOM 399 NE ARG A 26 24.748 1.118 0.990 1.00 0.00 N ATOM 400 CZ ARG A 26 24.992 1.503 2.245 1.00 0.00 C ATOM 401 NH1 ARG A 26 24.098 1.278 3.205 1.00 0.00 N ATOM 402 NH2 ARG A 26 26.123 2.130 2.534 1.00 0.00 N ATOM 403 HA ARG A 26 22.474 -0.912 -1.632 1.00 0.00 H ATOM 404 HB2 ARG A 26 20.556 1.293 -0.857 1.00 0.00 H ATOM 405 HB3 ARG A 26 20.977 -0.062 0.217 1.00 0.00 H ATOM 406 HG2 ARG A 26 23.049 1.772 -0.994 1.00 0.00 H ATOM 407 HG3 ARG A 26 22.251 2.107 0.560 1.00 0.00 H ATOM 408 HD2 ARG A 26 23.826 -0.397 -0.109 1.00 0.00 H ATOM 409 HD3 ARG A 26 23.062 -0.021 1.452 1.00 0.00 H ATOM 410 HE ARG A 26 25.460 1.339 0.265 1.00 0.00 H ATOM 411 HH12 ARG A 26 24.295 1.581 4.180 1.00 0.00 H ATOM 412 HH11 ARG A 26 23.202 0.799 2.980 1.00 0.00 H ATOM 413 HH22 ARG A 26 26.316 2.431 3.511 1.00 0.00 H ATOM 414 HH21 ARG A 26 26.818 2.321 1.784 1.00 0.00 H ATOM 415 H ARG A 26 21.508 1.481 -3.022 1.00 0.00 H ATOM 416 N GLY A 27 19.195 -0.723 -2.152 1.00 0.00 N ATOM 417 CA GLY A 27 18.028 -1.558 -2.377 1.00 0.00 C ATOM 418 C GLY A 27 16.864 -1.211 -1.473 1.00 0.00 C ATOM 419 O GLY A 27 15.711 -1.499 -1.796 1.00 0.00 O ATOM 420 HA3 GLY A 27 18.306 -2.597 -2.201 1.00 0.00 H ATOM 421 HA2 GLY A 27 17.710 -1.438 -3.413 1.00 0.00 H ATOM 422 H GLY A 27 19.087 0.309 -2.082 1.00 0.00 H ATOM 423 N ASP A 28 17.154 -0.578 -0.345 1.00 0.00 N ATOM 424 CA ASP A 28 16.114 -0.201 0.608 1.00 0.00 C ATOM 425 C ASP A 28 15.457 1.119 0.202 1.00 0.00 C ATOM 426 O ASP A 28 15.411 2.077 0.974 1.00 0.00 O ATOM 427 CB ASP A 28 16.683 -0.109 2.033 1.00 0.00 C ATOM 428 CG ASP A 28 17.889 0.804 2.140 1.00 0.00 C ATOM 429 OD1 ASP A 28 18.983 0.403 1.687 1.00 0.00 O ATOM 430 OD2 ASP A 28 17.752 1.920 2.680 1.00 0.00 O ATOM 431 HA ASP A 28 15.350 -0.979 0.598 1.00 0.00 H ATOM 432 HB2 ASP A 28 15.903 0.269 2.694 1.00 0.00 H ATOM 433 HB3 ASP A 28 16.976 -1.109 2.354 1.00 0.00 H ATOM 434 H ASP A 28 18.145 -0.344 -0.134 1.00 0.00 H ATOM 435 N GLY A 29 14.943 1.154 -1.020 1.00 0.00 N ATOM 436 CA GLY A 29 14.293 2.345 -1.524 1.00 0.00 C ATOM 437 C GLY A 29 12.862 2.458 -1.049 1.00 0.00 C ATOM 438 O GLY A 29 12.308 3.557 -0.987 1.00 0.00 O ATOM 439 HA3 GLY A 29 14.300 2.315 -2.614 1.00 0.00 H ATOM 440 HA2 GLY A 29 14.847 3.219 -1.182 1.00 0.00 H ATOM 441 H GLY A 29 15.008 0.312 -1.626 1.00 0.00 H ATOM 442 N GLY A 30 12.257 1.322 -0.730 1.00 0.00 N ATOM 443 CA GLY A 30 10.891 1.323 -0.254 1.00 0.00 C ATOM 444 C GLY A 30 9.871 1.343 -1.380 1.00 0.00 C ATOM 445 O GLY A 30 10.207 1.614 -2.537 1.00 0.00 O ATOM 446 HA3 GLY A 30 10.740 2.205 0.368 1.00 0.00 H ATOM 447 HA2 GLY A 30 10.731 0.426 0.345 1.00 0.00 H ATOM 448 H GLY A 30 12.769 0.422 -0.823 1.00 0.00 H ATOM 449 N ILE A 31 8.621 1.055 -1.038 1.00 0.00 N ATOM 450 CA ILE A 31 7.538 1.047 -2.012 1.00 0.00 C ATOM 451 C ILE A 31 6.680 2.300 -1.868 1.00 0.00 C ATOM 452 O ILE A 31 6.289 2.680 -0.760 1.00 0.00 O ATOM 453 CB ILE A 31 6.647 -0.208 -1.874 1.00 0.00 C ATOM 454 CG1 ILE A 31 6.264 -0.448 -0.408 1.00 0.00 C ATOM 455 CG2 ILE A 31 7.357 -1.428 -2.448 1.00 0.00 C ATOM 456 CD1 ILE A 31 5.164 -1.471 -0.229 1.00 0.00 C ATOM 457 HA ILE A 31 7.997 1.030 -3.001 1.00 0.00 H ATOM 458 HB ILE A 31 5.731 -0.040 -2.440 1.00 0.00 H ATOM 459 HG12 ILE A 31 7.148 -0.795 0.127 1.00 0.00 H ATOM 460 HG13 ILE A 31 5.929 0.497 0.020 1.00 0.00 H ATOM 461 HD11 ILE A 31 4.268 -1.134 -0.749 1.00 0.00 H ATOM 462 HD12 ILE A 31 5.487 -2.426 -0.642 1.00 0.00 H ATOM 463 HD13 ILE A 31 4.947 -1.588 0.833 1.00 0.00 H ATOM 464 HG21 ILE A 31 7.572 -1.259 -3.503 1.00 0.00 H ATOM 465 HG22 ILE A 31 8.289 -1.592 -1.907 1.00 0.00 H ATOM 466 HG23 ILE A 31 6.716 -2.303 -2.343 1.00 0.00 H ATOM 467 H ILE A 31 8.409 0.828 -0.045 1.00 0.00 H ATOM 468 N TYR A 32 6.399 2.944 -2.992 1.00 0.00 N ATOM 469 CA TYR A 32 5.606 4.163 -3.004 1.00 0.00 C ATOM 470 C TYR A 32 4.358 3.998 -3.865 1.00 0.00 C ATOM 471 O TYR A 32 4.275 3.092 -4.693 1.00 0.00 O ATOM 472 CB TYR A 32 6.437 5.335 -3.539 1.00 0.00 C ATOM 473 CG TYR A 32 7.534 5.804 -2.603 1.00 0.00 C ATOM 474 CD1 TYR A 32 8.722 5.094 -2.477 1.00 0.00 C ATOM 475 CD2 TYR A 32 7.378 6.960 -1.846 1.00 0.00 C ATOM 476 CE1 TYR A 32 9.723 5.521 -1.625 1.00 0.00 C ATOM 477 CE2 TYR A 32 8.376 7.395 -0.993 1.00 0.00 C ATOM 478 CZ TYR A 32 9.546 6.670 -0.885 1.00 0.00 C ATOM 479 OH TYR A 32 10.543 7.098 -0.035 1.00 0.00 O ATOM 480 HA TYR A 32 5.301 4.369 -1.978 1.00 0.00 H ATOM 481 HB3 TYR A 32 5.765 6.173 -3.724 1.00 0.00 H ATOM 482 HB2 TYR A 32 6.898 5.026 -4.477 1.00 0.00 H ATOM 483 HD2 TYR A 32 6.454 7.533 -1.926 1.00 0.00 H ATOM 484 HE2 TYR A 32 8.240 8.305 -0.409 1.00 0.00 H ATOM 485 HE1 TYR A 32 10.648 4.951 -1.539 1.00 0.00 H ATOM 486 HD1 TYR A 32 8.867 4.185 -3.060 1.00 0.00 H ATOM 487 HH TYR A 32 11.305 6.468 -0.079 1.00 0.00 H ATOM 488 H TYR A 32 6.756 2.566 -3.893 1.00 0.00 H ATOM 489 N ILE A 33 3.395 4.879 -3.653 1.00 0.00 N ATOM 490 CA ILE A 33 2.151 4.867 -4.407 1.00 0.00 C ATOM 491 C ILE A 33 2.347 5.568 -5.747 1.00 0.00 C ATOM 492 O ILE A 33 2.673 6.758 -5.786 1.00 0.00 O ATOM 493 CB ILE A 33 1.020 5.574 -3.626 1.00 0.00 C ATOM 494 CG1 ILE A 33 0.808 4.911 -2.259 1.00 0.00 C ATOM 495 CG2 ILE A 33 -0.277 5.575 -4.427 1.00 0.00 C ATOM 496 CD1 ILE A 33 0.348 3.473 -2.338 1.00 0.00 C ATOM 497 HA ILE A 33 1.868 3.827 -4.570 1.00 0.00 H ATOM 498 HB ILE A 33 1.320 6.609 -3.463 1.00 0.00 H ATOM 499 HG12 ILE A 33 1.751 4.940 -1.714 1.00 0.00 H ATOM 500 HG13 ILE A 33 0.057 5.482 -1.714 1.00 0.00 H ATOM 501 HD11 ILE A 33 -0.602 3.425 -2.870 1.00 0.00 H ATOM 502 HD12 ILE A 33 1.094 2.883 -2.870 1.00 0.00 H ATOM 503 HD13 ILE A 33 0.222 3.077 -1.330 1.00 0.00 H ATOM 504 HG21 ILE A 33 -0.120 6.100 -5.369 1.00 0.00 H ATOM 505 HG22 ILE A 33 -0.579 4.547 -4.628 1.00 0.00 H ATOM 506 HG23 ILE A 33 -1.056 6.079 -3.854 1.00 0.00 H ATOM 507 H ILE A 33 3.532 5.606 -2.922 1.00 0.00 H ATOM 508 N GLY A 34 2.170 4.830 -6.832 1.00 0.00 N ATOM 509 CA GLY A 34 2.334 5.396 -8.155 1.00 0.00 C ATOM 510 C GLY A 34 1.143 6.225 -8.585 1.00 0.00 C ATOM 511 O GLY A 34 1.205 7.453 -8.602 1.00 0.00 O ATOM 512 HA3 GLY A 34 2.470 4.583 -8.868 1.00 0.00 H ATOM 513 HA2 GLY A 34 3.220 6.031 -8.156 1.00 0.00 H ATOM 514 H GLY A 34 1.909 3.828 -6.733 1.00 0.00 H ATOM 515 N SER A 35 0.060 5.559 -8.949 1.00 0.00 N ATOM 516 CA SER A 35 -1.144 6.251 -9.380 1.00 0.00 C ATOM 517 C SER A 35 -2.386 5.636 -8.744 1.00 0.00 C ATOM 518 O SER A 35 -2.415 4.440 -8.441 1.00 0.00 O ATOM 519 CB SER A 35 -1.256 6.213 -10.905 1.00 0.00 C ATOM 520 OG SER A 35 -0.067 6.695 -11.512 1.00 0.00 O ATOM 521 HA SER A 35 -1.075 7.289 -9.054 1.00 0.00 H ATOM 522 HB2 SER A 35 -2.094 6.836 -11.217 1.00 0.00 H ATOM 523 HB3 SER A 35 -1.429 5.186 -11.225 1.00 0.00 H ATOM 524 HG SER A 35 -0.163 6.661 -12.497 1.00 0.00 H ATOM 525 H SER A 35 0.070 4.519 -8.927 1.00 0.00 H ATOM 526 N ILE A 36 -3.402 6.463 -8.533 1.00 0.00 N ATOM 527 CA ILE A 36 -4.649 6.008 -7.942 1.00 0.00 C ATOM 528 C ILE A 36 -5.693 5.788 -9.030 1.00 0.00 C ATOM 529 O ILE A 36 -5.920 6.657 -9.874 1.00 0.00 O ATOM 530 CB ILE A 36 -5.192 7.011 -6.897 1.00 0.00 C ATOM 531 CG1 ILE A 36 -4.150 7.255 -5.804 1.00 0.00 C ATOM 532 CG2 ILE A 36 -6.489 6.495 -6.285 1.00 0.00 C ATOM 533 CD1 ILE A 36 -4.549 8.330 -4.819 1.00 0.00 C ATOM 534 HA ILE A 36 -4.444 5.068 -7.430 1.00 0.00 H ATOM 535 HB ILE A 36 -5.399 7.956 -7.400 1.00 0.00 H ATOM 536 HG12 ILE A 36 -3.999 6.324 -5.257 1.00 0.00 H ATOM 537 HG13 ILE A 36 -3.215 7.552 -6.279 1.00 0.00 H ATOM 538 HD11 ILE A 36 -4.693 9.271 -5.349 1.00 0.00 H ATOM 539 HD12 ILE A 36 -5.478 8.043 -4.327 1.00 0.00 H ATOM 540 HD13 ILE A 36 -3.763 8.448 -4.074 1.00 0.00 H ATOM 541 HG21 ILE A 36 -7.233 6.364 -7.071 1.00 0.00 H ATOM 542 HG22 ILE A 36 -6.303 5.539 -5.796 1.00 0.00 H ATOM 543 HG23 ILE A 36 -6.855 7.214 -5.553 1.00 0.00 H ATOM 544 H ILE A 36 -3.303 7.464 -8.798 1.00 0.00 H ATOM 545 N MET A 37 -6.310 4.619 -9.018 1.00 0.00 N ATOM 546 CA MET A 37 -7.324 4.277 -10.003 1.00 0.00 C ATOM 547 C MET A 37 -8.712 4.592 -9.462 1.00 0.00 C ATOM 548 O MET A 37 -9.101 4.090 -8.402 1.00 0.00 O ATOM 549 CB MET A 37 -7.234 2.793 -10.375 1.00 0.00 C ATOM 550 CG MET A 37 -5.808 2.267 -10.470 1.00 0.00 C ATOM 551 SD MET A 37 -4.788 3.205 -11.626 1.00 0.00 S ATOM 552 CE MET A 37 -3.167 2.522 -11.273 1.00 0.00 C ATOM 553 HA MET A 37 -7.148 4.873 -10.898 1.00 0.00 H ATOM 554 HB2 MET A 37 -7.763 2.216 -9.617 1.00 0.00 H ATOM 555 HB3 MET A 37 -7.718 2.651 -11.341 1.00 0.00 H ATOM 556 HG2 MET A 37 -5.841 1.228 -10.799 1.00 0.00 H ATOM 557 HG3 MET A 37 -5.351 2.319 -9.482 1.00 0.00 H ATOM 558 HE1 MET A 37 -2.919 2.700 -10.227 1.00 0.00 H ATOM 559 HE2 MET A 37 -3.176 1.450 -11.468 1.00 0.00 H ATOM 560 HE3 MET A 37 -2.425 3.003 -11.911 1.00 0.00 H ATOM 561 H MET A 37 -6.064 3.925 -8.284 1.00 0.00 H ATOM 562 N LYS A 38 -9.452 5.419 -10.191 1.00 0.00 N ATOM 563 CA LYS A 38 -10.794 5.809 -9.788 1.00 0.00 C ATOM 564 C LYS A 38 -11.696 4.586 -9.681 1.00 0.00 C ATOM 565 O LYS A 38 -11.815 3.803 -10.628 1.00 0.00 O ATOM 566 CB LYS A 38 -11.374 6.812 -10.784 1.00 0.00 C ATOM 567 CG LYS A 38 -12.717 7.384 -10.367 1.00 0.00 C ATOM 568 CD LYS A 38 -12.605 8.183 -9.080 1.00 0.00 C ATOM 569 CE LYS A 38 -13.901 8.909 -8.754 1.00 0.00 C ATOM 570 NZ LYS A 38 -15.000 7.970 -8.404 1.00 0.00 N ATOM 571 HA LYS A 38 -10.738 6.282 -8.808 1.00 0.00 H ATOM 572 HB2 LYS A 38 -10.668 7.636 -10.893 1.00 0.00 H ATOM 573 HB3 LYS A 38 -11.497 6.311 -11.744 1.00 0.00 H ATOM 574 HG2 LYS A 38 -13.086 8.036 -11.159 1.00 0.00 H ATOM 575 HG3 LYS A 38 -13.420 6.565 -10.216 1.00 0.00 H ATOM 576 HD2 LYS A 38 -12.365 7.504 -8.262 1.00 0.00 H ATOM 577 HD3 LYS A 38 -11.806 8.917 -9.188 1.00 0.00 H ATOM 578 HE2 LYS A 38 -14.203 9.495 -9.622 1.00 0.00 H ATOM 579 HE3 LYS A 38 -13.727 9.576 -7.910 1.00 0.00 H ATOM 580 HZ1 LYS A 38 -15.179 7.334 -9.207 1.00 0.00 H ATOM 581 HZ2 LYS A 38 -14.725 7.411 -7.571 1.00 0.00 H ATOM 582 HZ3 LYS A 38 -15.862 8.511 -8.190 1.00 0.00 H ATOM 583 H LYS A 38 -9.060 5.799 -11.076 1.00 0.00 H ATOM 584 N GLY A 39 -12.317 4.430 -8.521 1.00 0.00 N ATOM 585 CA GLY A 39 -13.189 3.301 -8.283 1.00 0.00 C ATOM 586 C GLY A 39 -12.627 2.377 -7.221 1.00 0.00 C ATOM 587 O GLY A 39 -13.279 1.418 -6.807 1.00 0.00 O ATOM 588 HA3 GLY A 39 -13.307 2.743 -9.212 1.00 0.00 H ATOM 589 HA2 GLY A 39 -14.162 3.668 -7.955 1.00 0.00 H ATOM 590 H GLY A 39 -12.175 5.133 -7.768 1.00 0.00 H ATOM 591 N GLY A 40 -11.406 2.669 -6.791 1.00 0.00 N ATOM 592 CA GLY A 40 -10.756 1.868 -5.776 1.00 0.00 C ATOM 593 C GLY A 40 -11.036 2.371 -4.374 1.00 0.00 C ATOM 594 O GLY A 40 -11.567 3.470 -4.195 1.00 0.00 O ATOM 595 HA3 GLY A 40 -9.680 1.891 -5.948 1.00 0.00 H ATOM 596 HA2 GLY A 40 -11.114 0.842 -5.858 1.00 0.00 H ATOM 597 H GLY A 40 -10.907 3.489 -7.191 1.00 0.00 H ATOM 598 N ALA A 41 -10.668 1.571 -3.382 1.00 0.00 N ATOM 599 CA ALA A 41 -10.878 1.919 -1.981 1.00 0.00 C ATOM 600 C ALA A 41 -10.100 3.168 -1.583 1.00 0.00 C ATOM 601 O ALA A 41 -10.569 3.967 -0.773 1.00 0.00 O ATOM 602 CB ALA A 41 -10.496 0.748 -1.090 1.00 0.00 C ATOM 603 HA ALA A 41 -11.937 2.141 -1.849 1.00 0.00 H ATOM 604 HB1 ALA A 41 -11.113 -0.115 -1.342 1.00 0.00 H ATOM 605 HB2 ALA A 41 -9.445 0.503 -1.245 1.00 0.00 H ATOM 606 HB3 ALA A 41 -10.657 1.019 -0.047 1.00 0.00 H ATOM 607 H ALA A 41 -10.214 0.664 -3.611 1.00 0.00 H ATOM 608 N VAL A 42 -8.920 3.340 -2.162 1.00 0.00 N ATOM 609 CA VAL A 42 -8.083 4.495 -1.853 1.00 0.00 C ATOM 610 C VAL A 42 -8.695 5.778 -2.408 1.00 0.00 C ATOM 611 O VAL A 42 -8.648 6.830 -1.766 1.00 0.00 O ATOM 612 CB VAL A 42 -6.653 4.327 -2.407 1.00 0.00 C ATOM 613 CG1 VAL A 42 -5.813 5.567 -2.138 1.00 0.00 C ATOM 614 CG2 VAL A 42 -5.992 3.101 -1.803 1.00 0.00 C ATOM 615 HA VAL A 42 -8.028 4.564 -0.767 1.00 0.00 H ATOM 616 HB VAL A 42 -6.723 4.193 -3.486 1.00 0.00 H ATOM 617 HG11 VAL A 42 -6.275 6.429 -2.619 1.00 0.00 H ATOM 618 HG12 VAL A 42 -5.754 5.738 -1.063 1.00 0.00 H ATOM 619 HG13 VAL A 42 -4.811 5.419 -2.540 1.00 0.00 H ATOM 620 HG21 VAL A 42 -5.943 3.213 -0.720 1.00 0.00 H ATOM 621 HG22 VAL A 42 -6.576 2.215 -2.052 1.00 0.00 H ATOM 622 HG23 VAL A 42 -4.984 2.998 -2.205 1.00 0.00 H ATOM 623 H VAL A 42 -8.584 2.637 -2.851 1.00 0.00 H ATOM 624 N ALA A 43 -9.297 5.680 -3.587 1.00 0.00 N ATOM 625 CA ALA A 43 -9.923 6.833 -4.222 1.00 0.00 C ATOM 626 C ALA A 43 -11.151 7.281 -3.430 1.00 0.00 C ATOM 627 O ALA A 43 -11.658 8.390 -3.609 1.00 0.00 O ATOM 628 CB ALA A 43 -10.303 6.498 -5.658 1.00 0.00 C ATOM 629 HA ALA A 43 -9.208 7.656 -4.234 1.00 0.00 H ATOM 630 HB1 ALA A 43 -9.407 6.225 -6.215 1.00 0.00 H ATOM 631 HB2 ALA A 43 -11.003 5.663 -5.662 1.00 0.00 H ATOM 632 HB3 ALA A 43 -10.770 7.367 -6.121 1.00 0.00 H ATOM 633 H ALA A 43 -9.323 4.759 -4.069 1.00 0.00 H ATOM 634 N ALA A 44 -11.623 6.409 -2.548 1.00 0.00 N ATOM 635 CA ALA A 44 -12.779 6.707 -1.722 1.00 0.00 C ATOM 636 C ALA A 44 -12.354 7.411 -0.437 1.00 0.00 C ATOM 637 O ALA A 44 -13.184 7.959 0.290 1.00 0.00 O ATOM 638 CB ALA A 44 -13.544 5.433 -1.401 1.00 0.00 C ATOM 639 HA ALA A 44 -13.436 7.375 -2.279 1.00 0.00 H ATOM 640 HB1 ALA A 44 -13.880 4.969 -2.328 1.00 0.00 H ATOM 641 HB2 ALA A 44 -12.892 4.744 -0.864 1.00 0.00 H ATOM 642 HB3 ALA A 44 -14.407 5.675 -0.781 1.00 0.00 H ATOM 643 H ALA A 44 -11.152 5.487 -2.446 1.00 0.00 H ATOM 644 N ASP A 45 -11.057 7.395 -0.164 1.00 0.00 N ATOM 645 CA ASP A 45 -10.525 8.033 1.031 1.00 0.00 C ATOM 646 C ASP A 45 -10.048 9.442 0.700 1.00 0.00 C ATOM 647 O ASP A 45 -10.699 10.426 1.051 1.00 0.00 O ATOM 648 CB ASP A 45 -9.384 7.210 1.630 1.00 0.00 C ATOM 649 CG ASP A 45 -8.984 7.711 3.003 1.00 0.00 C ATOM 650 OD1 ASP A 45 -9.554 7.234 4.007 1.00 0.00 O ATOM 651 OD2 ASP A 45 -8.105 8.591 3.085 1.00 0.00 O ATOM 652 HA ASP A 45 -11.321 8.093 1.773 1.00 0.00 H ATOM 653 HB2 ASP A 45 -9.705 6.172 1.713 1.00 0.00 H ATOM 654 HB3 ASP A 45 -8.521 7.270 0.968 1.00 0.00 H ATOM 655 H ASP A 45 -10.405 6.916 -0.818 1.00 0.00 H ATOM 656 N GLY A 46 -8.913 9.539 0.018 1.00 0.00 N ATOM 657 CA GLY A 46 -8.396 10.840 -0.370 1.00 0.00 C ATOM 658 C GLY A 46 -7.114 11.232 0.345 1.00 0.00 C ATOM 659 O GLY A 46 -6.342 12.047 -0.167 1.00 0.00 O ATOM 660 HA3 GLY A 46 -9.155 11.591 -0.150 1.00 0.00 H ATOM 661 HA2 GLY A 46 -8.201 10.826 -1.442 1.00 0.00 H ATOM 662 H GLY A 46 -8.390 8.678 -0.240 1.00 0.00 H ATOM 663 N ARG A 47 -6.866 10.655 1.518 1.00 0.00 N ATOM 664 CA ARG A 47 -5.664 10.987 2.279 1.00 0.00 C ATOM 665 C ARG A 47 -4.408 10.488 1.571 1.00 0.00 C ATOM 666 O ARG A 47 -3.353 11.118 1.646 1.00 0.00 O ATOM 667 CB ARG A 47 -5.743 10.427 3.698 1.00 0.00 C ATOM 668 CG ARG A 47 -6.619 11.259 4.616 1.00 0.00 C ATOM 669 CD ARG A 47 -6.877 10.558 5.936 1.00 0.00 C ATOM 670 NE ARG A 47 -7.697 9.359 5.770 1.00 0.00 N ATOM 671 CZ ARG A 47 -8.214 8.661 6.779 1.00 0.00 C ATOM 672 NH1 ARG A 47 -8.006 9.035 8.036 1.00 0.00 N ATOM 673 NH2 ARG A 47 -8.947 7.589 6.529 1.00 0.00 N ATOM 674 HA ARG A 47 -5.603 12.073 2.345 1.00 0.00 H ATOM 675 HB2 ARG A 47 -6.150 9.417 3.651 1.00 0.00 H ATOM 676 HB3 ARG A 47 -4.736 10.393 4.115 1.00 0.00 H ATOM 677 HG2 ARG A 47 -6.123 12.209 4.812 1.00 0.00 H ATOM 678 HG3 ARG A 47 -7.573 11.444 4.122 1.00 0.00 H ATOM 679 HD2 ARG A 47 -7.392 11.247 6.605 1.00 0.00 H ATOM 680 HD3 ARG A 47 -5.921 10.273 6.376 1.00 0.00 H ATOM 681 HE ARG A 47 -7.889 9.030 4.802 1.00 0.00 H ATOM 682 HH12 ARG A 47 -8.414 8.483 8.817 1.00 0.00 H ATOM 683 HH11 ARG A 47 -7.435 9.880 8.239 1.00 0.00 H ATOM 684 HH22 ARG A 47 -9.352 7.041 7.315 1.00 0.00 H ATOM 685 HH21 ARG A 47 -9.118 7.294 5.547 1.00 0.00 H ATOM 686 H ARG A 47 -7.537 9.958 1.898 1.00 0.00 H ATOM 687 N ILE A 48 -4.520 9.361 0.881 1.00 0.00 N ATOM 688 CA ILE A 48 -3.388 8.811 0.147 1.00 0.00 C ATOM 689 C ILE A 48 -3.312 9.454 -1.233 1.00 0.00 C ATOM 690 O ILE A 48 -4.334 9.621 -1.902 1.00 0.00 O ATOM 691 CB ILE A 48 -3.486 7.280 -0.015 1.00 0.00 C ATOM 692 CG1 ILE A 48 -3.634 6.600 1.349 1.00 0.00 C ATOM 693 CG2 ILE A 48 -2.265 6.742 -0.749 1.00 0.00 C ATOM 694 CD1 ILE A 48 -3.713 5.089 1.262 1.00 0.00 C ATOM 695 HA ILE A 48 -2.489 9.031 0.723 1.00 0.00 H ATOM 696 HB ILE A 48 -4.373 7.055 -0.608 1.00 0.00 H ATOM 697 HG12 ILE A 48 -2.774 6.867 1.964 1.00 0.00 H ATOM 698 HG13 ILE A 48 -4.545 6.967 1.822 1.00 0.00 H ATOM 699 HD11 ILE A 48 -4.575 4.806 0.659 1.00 0.00 H ATOM 700 HD12 ILE A 48 -2.803 4.705 0.801 1.00 0.00 H ATOM 701 HD13 ILE A 48 -3.817 4.674 2.264 1.00 0.00 H ATOM 702 HG21 ILE A 48 -2.205 7.200 -1.736 1.00 0.00 H ATOM 703 HG22 ILE A 48 -1.366 6.982 -0.181 1.00 0.00 H ATOM 704 HG23 ILE A 48 -2.353 5.661 -0.853 1.00 0.00 H ATOM 705 H ILE A 48 -5.432 8.861 0.864 1.00 0.00 H ATOM 706 N GLU A 49 -2.110 9.827 -1.643 1.00 0.00 N ATOM 707 CA GLU A 49 -1.902 10.452 -2.938 1.00 0.00 C ATOM 708 C GLU A 49 -0.608 9.938 -3.567 1.00 0.00 C ATOM 709 O GLU A 49 0.235 9.359 -2.874 1.00 0.00 O ATOM 710 CB GLU A 49 -1.857 11.978 -2.783 1.00 0.00 C ATOM 711 CG GLU A 49 -0.640 12.487 -2.031 1.00 0.00 C ATOM 712 CD GLU A 49 -0.827 13.899 -1.526 1.00 0.00 C ATOM 713 OE1 GLU A 49 -1.340 14.064 -0.400 1.00 0.00 O ATOM 714 OE2 GLU A 49 -0.466 14.849 -2.252 1.00 0.00 O ATOM 715 HA GLU A 49 -2.732 10.194 -3.596 1.00 0.00 H ATOM 716 HB2 GLU A 49 -1.857 12.424 -3.778 1.00 0.00 H ATOM 717 HB3 GLU A 49 -2.750 12.295 -2.244 1.00 0.00 H ATOM 718 HG2 GLU A 49 -0.454 11.832 -1.180 1.00 0.00 H ATOM 719 HG3 GLU A 49 0.220 12.465 -2.700 1.00 0.00 H ATOM 720 H GLU A 49 -1.292 9.668 -1.021 1.00 0.00 H ATOM 721 N PRO A 50 -0.452 10.098 -4.893 1.00 0.00 N ATOM 722 CA PRO A 50 0.754 9.662 -5.601 1.00 0.00 C ATOM 723 C PRO A 50 2.026 10.198 -4.950 1.00 0.00 C ATOM 724 O PRO A 50 2.215 11.413 -4.829 1.00 0.00 O ATOM 725 CB PRO A 50 0.575 10.255 -6.999 1.00 0.00 C ATOM 726 CG PRO A 50 -0.897 10.371 -7.173 1.00 0.00 C ATOM 727 CD PRO A 50 -1.448 10.686 -5.813 1.00 0.00 C ATOM 728 HA PRO A 50 0.866 8.578 -5.596 1.00 0.00 H ATOM 729 HD3 PRO A 50 -1.528 11.763 -5.665 1.00 0.00 H ATOM 730 HD2 PRO A 50 -2.427 10.227 -5.673 1.00 0.00 H ATOM 731 HG3 PRO A 50 -1.311 9.433 -7.542 1.00 0.00 H ATOM 732 HG2 PRO A 50 -1.134 11.172 -7.873 1.00 0.00 H ATOM 733 HB2 PRO A 50 1.049 11.234 -7.065 1.00 0.00 H ATOM 734 HB3 PRO A 50 1.001 9.595 -7.755 1.00 0.00 H ATOM 735 N GLY A 51 2.889 9.288 -4.523 1.00 0.00 N ATOM 736 CA GLY A 51 4.123 9.684 -3.884 1.00 0.00 C ATOM 737 C GLY A 51 4.185 9.268 -2.430 1.00 0.00 C ATOM 738 O GLY A 51 5.219 9.421 -1.782 1.00 0.00 O ATOM 739 HA3 GLY A 51 4.214 10.769 -3.941 1.00 0.00 H ATOM 740 HA2 GLY A 51 4.955 9.222 -4.415 1.00 0.00 H ATOM 741 H GLY A 51 2.676 8.278 -4.649 1.00 0.00 H ATOM 742 N ASP A 52 3.073 8.763 -1.906 1.00 0.00 N ATOM 743 CA ASP A 52 3.024 8.315 -0.518 1.00 0.00 C ATOM 744 C ASP A 52 3.794 7.008 -0.360 1.00 0.00 C ATOM 745 O ASP A 52 3.756 6.147 -1.240 1.00 0.00 O ATOM 746 CB ASP A 52 1.577 8.130 -0.052 1.00 0.00 C ATOM 747 CG ASP A 52 0.885 9.442 0.280 1.00 0.00 C ATOM 748 OD1 ASP A 52 1.578 10.466 0.451 1.00 0.00 O ATOM 749 OD2 ASP A 52 -0.359 9.458 0.368 1.00 0.00 O ATOM 750 HA ASP A 52 3.488 9.081 0.103 1.00 0.00 H ATOM 751 HB2 ASP A 52 1.018 7.633 -0.845 1.00 0.00 H ATOM 752 HB3 ASP A 52 1.577 7.502 0.839 1.00 0.00 H ATOM 753 H ASP A 52 2.221 8.686 -2.497 1.00 0.00 H ATOM 754 N MET A 53 4.497 6.869 0.751 1.00 0.00 N ATOM 755 CA MET A 53 5.286 5.671 1.014 1.00 0.00 C ATOM 756 C MET A 53 4.532 4.713 1.932 1.00 0.00 C ATOM 757 O MET A 53 3.965 5.131 2.936 1.00 0.00 O ATOM 758 CB MET A 53 6.621 6.060 1.655 1.00 0.00 C ATOM 759 CG MET A 53 7.541 4.884 1.936 1.00 0.00 C ATOM 760 SD MET A 53 9.089 5.396 2.709 1.00 0.00 S ATOM 761 CE MET A 53 9.877 3.810 2.968 1.00 0.00 C ATOM 762 HA MET A 53 5.470 5.166 0.066 1.00 0.00 H ATOM 763 HB2 MET A 53 7.137 6.745 0.983 1.00 0.00 H ATOM 764 HB3 MET A 53 6.414 6.566 2.598 1.00 0.00 H ATOM 765 HG2 MET A 53 7.768 4.383 0.995 1.00 0.00 H ATOM 766 HG3 MET A 53 7.029 4.189 2.602 1.00 0.00 H ATOM 767 HE1 MET A 53 9.249 3.195 3.613 1.00 0.00 H ATOM 768 HE2 MET A 53 10.012 3.312 2.008 1.00 0.00 H ATOM 769 HE3 MET A 53 10.848 3.961 3.440 1.00 0.00 H ATOM 770 H MET A 53 4.487 7.634 1.456 1.00 0.00 H ATOM 771 N LEU A 54 4.529 3.432 1.589 1.00 0.00 N ATOM 772 CA LEU A 54 3.849 2.429 2.399 1.00 0.00 C ATOM 773 C LEU A 54 4.795 1.876 3.454 1.00 0.00 C ATOM 774 O LEU A 54 5.852 1.334 3.129 1.00 0.00 O ATOM 775 CB LEU A 54 3.328 1.296 1.515 1.00 0.00 C ATOM 776 CG LEU A 54 1.988 1.566 0.828 1.00 0.00 C ATOM 777 CD1 LEU A 54 1.682 0.472 -0.183 1.00 0.00 C ATOM 778 CD2 LEU A 54 0.867 1.665 1.854 1.00 0.00 C ATOM 779 HA LEU A 54 3.002 2.901 2.898 1.00 0.00 H ATOM 780 HB2 LEU A 54 4.071 1.104 0.741 1.00 0.00 H ATOM 781 HB3 LEU A 54 3.215 0.408 2.137 1.00 0.00 H ATOM 782 HG LEU A 54 2.058 2.519 0.303 1.00 0.00 H ATOM 783 HD21 LEU A 54 0.798 0.728 2.406 1.00 0.00 H ATOM 784 HD22 LEU A 54 1.080 2.481 2.545 1.00 0.00 H ATOM 785 HD23 LEU A 54 -0.076 1.857 1.342 1.00 0.00 H ATOM 786 HD11 LEU A 54 2.469 0.445 -0.936 1.00 0.00 H ATOM 787 HD12 LEU A 54 1.633 -0.490 0.328 1.00 0.00 H ATOM 788 HD13 LEU A 54 0.725 0.679 -0.663 1.00 0.00 H ATOM 789 H LEU A 54 5.023 3.136 0.723 1.00 0.00 H ATOM 790 N LEU A 55 4.418 2.031 4.715 1.00 0.00 N ATOM 791 CA LEU A 55 5.239 1.561 5.823 1.00 0.00 C ATOM 792 C LEU A 55 4.673 0.279 6.420 1.00 0.00 C ATOM 793 O LEU A 55 5.296 -0.783 6.358 1.00 0.00 O ATOM 794 CB LEU A 55 5.322 2.633 6.916 1.00 0.00 C ATOM 795 CG LEU A 55 5.649 4.047 6.433 1.00 0.00 C ATOM 796 CD1 LEU A 55 5.514 5.032 7.581 1.00 0.00 C ATOM 797 CD2 LEU A 55 7.052 4.104 5.841 1.00 0.00 C ATOM 798 HA LEU A 55 6.236 1.357 5.433 1.00 0.00 H ATOM 799 HB2 LEU A 55 4.359 2.667 7.426 1.00 0.00 H ATOM 800 HB3 LEU A 55 6.096 2.333 7.622 1.00 0.00 H ATOM 801 HG LEU A 55 4.941 4.320 5.650 1.00 0.00 H ATOM 802 HD21 LEU A 55 7.778 3.814 6.601 1.00 0.00 H ATOM 803 HD22 LEU A 55 7.116 3.419 4.996 1.00 0.00 H ATOM 804 HD23 LEU A 55 7.262 5.119 5.504 1.00 0.00 H ATOM 805 HD11 LEU A 55 4.492 5.009 7.960 1.00 0.00 H ATOM 806 HD12 LEU A 55 6.204 4.756 8.378 1.00 0.00 H ATOM 807 HD13 LEU A 55 5.749 6.036 7.226 1.00 0.00 H ATOM 808 H LEU A 55 3.513 2.500 4.919 1.00 0.00 H ATOM 809 N GLN A 56 3.485 0.388 6.995 1.00 0.00 N ATOM 810 CA GLN A 56 2.829 -0.745 7.627 1.00 0.00 C ATOM 811 C GLN A 56 1.478 -1.013 6.971 1.00 0.00 C ATOM 812 O GLN A 56 0.708 -0.087 6.712 1.00 0.00 O ATOM 813 CB GLN A 56 2.656 -0.460 9.125 1.00 0.00 C ATOM 814 CG GLN A 56 2.133 -1.637 9.937 1.00 0.00 C ATOM 815 CD GLN A 56 2.265 -1.426 11.438 1.00 0.00 C ATOM 816 OE1 GLN A 56 1.416 -1.865 12.214 1.00 0.00 O ATOM 817 NE2 GLN A 56 3.335 -0.764 11.864 1.00 0.00 N ATOM 818 HA GLN A 56 3.446 -1.635 7.501 1.00 0.00 H ATOM 819 HB2 GLN A 56 3.625 -0.171 9.531 1.00 0.00 H ATOM 820 HB3 GLN A 56 1.956 0.368 9.235 1.00 0.00 H ATOM 821 HG2 GLN A 56 1.080 -1.785 9.697 1.00 0.00 H ATOM 822 HG3 GLN A 56 2.696 -2.528 9.660 1.00 0.00 H ATOM 823 HE22 GLN A 56 4.032 -0.407 11.180 1.00 0.00 H ATOM 824 HE21 GLN A 56 3.476 -0.603 12.882 1.00 0.00 H ATOM 825 H GLN A 56 3.007 1.312 6.994 1.00 0.00 H ATOM 826 N VAL A 57 1.200 -2.277 6.693 1.00 0.00 N ATOM 827 CA VAL A 57 -0.060 -2.668 6.072 1.00 0.00 C ATOM 828 C VAL A 57 -0.709 -3.786 6.875 1.00 0.00 C ATOM 829 O VAL A 57 -0.324 -4.948 6.756 1.00 0.00 O ATOM 830 CB VAL A 57 0.121 -3.138 4.608 1.00 0.00 C ATOM 831 CG1 VAL A 57 -1.219 -3.543 4.002 1.00 0.00 C ATOM 832 CG2 VAL A 57 0.783 -2.054 3.772 1.00 0.00 C ATOM 833 HA VAL A 57 -0.697 -1.784 6.063 1.00 0.00 H ATOM 834 HB VAL A 57 0.773 -4.012 4.610 1.00 0.00 H ATOM 835 HG11 VAL A 57 -1.648 -4.359 4.584 1.00 0.00 H ATOM 836 HG12 VAL A 57 -1.896 -2.689 4.017 1.00 0.00 H ATOM 837 HG13 VAL A 57 -1.067 -3.870 2.973 1.00 0.00 H ATOM 838 HG21 VAL A 57 0.160 -1.159 3.780 1.00 0.00 H ATOM 839 HG22 VAL A 57 1.762 -1.821 4.191 1.00 0.00 H ATOM 840 HG23 VAL A 57 0.900 -2.407 2.747 1.00 0.00 H ATOM 841 H VAL A 57 1.899 -3.011 6.924 1.00 0.00 H ATOM 842 N ASN A 58 -1.683 -3.426 7.696 1.00 0.00 N ATOM 843 CA ASN A 58 -2.381 -4.396 8.535 1.00 0.00 C ATOM 844 C ASN A 58 -1.395 -5.109 9.456 1.00 0.00 C ATOM 845 O ASN A 58 -1.211 -6.327 9.363 1.00 0.00 O ATOM 846 CB ASN A 58 -3.150 -5.419 7.689 1.00 0.00 C ATOM 847 CG ASN A 58 -4.491 -4.902 7.200 1.00 0.00 C ATOM 848 OD1 ASN A 58 -4.575 -4.260 6.159 1.00 0.00 O ATOM 849 ND2 ASN A 58 -5.551 -5.177 7.947 1.00 0.00 N ATOM 850 HA ASN A 58 -3.104 -3.851 9.142 1.00 0.00 H ATOM 851 HB2 ASN A 58 -2.542 -5.680 6.823 1.00 0.00 H ATOM 852 HB3 ASN A 58 -3.321 -6.310 8.293 1.00 0.00 H ATOM 853 HD22 ASN A 58 -5.441 -5.725 8.824 1.00 0.00 H ATOM 854 HD21 ASN A 58 -6.493 -4.845 7.656 1.00 0.00 H ATOM 855 H ASN A 58 -1.959 -2.424 7.745 1.00 0.00 H ATOM 856 N ASP A 59 -0.728 -4.318 10.300 1.00 0.00 N ATOM 857 CA ASP A 59 0.247 -4.810 11.288 1.00 0.00 C ATOM 858 C ASP A 59 1.605 -5.162 10.673 1.00 0.00 C ATOM 859 O ASP A 59 2.645 -4.914 11.290 1.00 0.00 O ATOM 860 CB ASP A 59 -0.295 -6.011 12.070 1.00 0.00 C ATOM 861 CG ASP A 59 -1.272 -5.612 13.157 1.00 0.00 C ATOM 862 OD1 ASP A 59 -0.845 -4.974 14.144 1.00 0.00 O ATOM 863 OD2 ASP A 59 -2.473 -5.939 13.031 1.00 0.00 O ATOM 864 HA ASP A 59 0.405 -3.979 11.975 1.00 0.00 H ATOM 865 HB2 ASP A 59 -0.802 -6.680 11.374 1.00 0.00 H ATOM 866 HB3 ASP A 59 0.543 -6.534 12.530 1.00 0.00 H ATOM 867 H ASP A 59 -0.908 -3.295 10.257 1.00 0.00 H ATOM 868 N VAL A 60 1.612 -5.743 9.476 1.00 0.00 N ATOM 869 CA VAL A 60 2.872 -6.115 8.832 1.00 0.00 C ATOM 870 C VAL A 60 3.683 -4.872 8.467 1.00 0.00 C ATOM 871 O VAL A 60 3.131 -3.847 8.061 1.00 0.00 O ATOM 872 CB VAL A 60 2.667 -7.005 7.579 1.00 0.00 C ATOM 873 CG1 VAL A 60 1.585 -8.043 7.825 1.00 0.00 C ATOM 874 CG2 VAL A 60 2.334 -6.182 6.349 1.00 0.00 C ATOM 875 HA VAL A 60 3.427 -6.707 9.560 1.00 0.00 H ATOM 876 HB VAL A 60 3.611 -7.517 7.391 1.00 0.00 H ATOM 877 HG11 VAL A 60 1.875 -8.677 8.663 1.00 0.00 H ATOM 878 HG12 VAL A 60 0.646 -7.540 8.056 1.00 0.00 H ATOM 879 HG13 VAL A 60 1.460 -8.655 6.931 1.00 0.00 H ATOM 880 HG21 VAL A 60 1.415 -5.623 6.525 1.00 0.00 H ATOM 881 HG22 VAL A 60 3.150 -5.488 6.146 1.00 0.00 H ATOM 882 HG23 VAL A 60 2.199 -6.846 5.495 1.00 0.00 H ATOM 883 H VAL A 60 0.711 -5.935 8.993 1.00 0.00 H ATOM 884 N ASN A 61 4.994 -4.964 8.623 1.00 0.00 N ATOM 885 CA ASN A 61 5.878 -3.842 8.334 1.00 0.00 C ATOM 886 C ASN A 61 6.713 -4.108 7.088 1.00 0.00 C ATOM 887 O ASN A 61 7.305 -5.175 6.955 1.00 0.00 O ATOM 888 CB ASN A 61 6.797 -3.591 9.527 1.00 0.00 C ATOM 889 CG ASN A 61 7.753 -2.441 9.297 1.00 0.00 C ATOM 890 OD1 ASN A 61 7.410 -1.454 8.655 1.00 0.00 O ATOM 891 ND2 ASN A 61 8.960 -2.561 9.823 1.00 0.00 N ATOM 892 HA ASN A 61 5.264 -2.960 8.151 1.00 0.00 H ATOM 893 HB2 ASN A 61 6.183 -3.365 10.399 1.00 0.00 H ATOM 894 HB3 ASN A 61 7.377 -4.494 9.717 1.00 0.00 H ATOM 895 HD22 ASN A 61 9.210 -3.415 10.361 1.00 0.00 H ATOM 896 HD21 ASN A 61 9.659 -1.801 9.699 1.00 0.00 H ATOM 897 H ASN A 61 5.403 -5.859 8.960 1.00 0.00 H ATOM 898 N PHE A 62 6.760 -3.139 6.183 1.00 0.00 N ATOM 899 CA PHE A 62 7.528 -3.281 4.951 1.00 0.00 C ATOM 900 C PHE A 62 8.742 -2.358 4.946 1.00 0.00 C ATOM 901 O PHE A 62 9.515 -2.343 3.988 1.00 0.00 O ATOM 902 CB PHE A 62 6.649 -2.974 3.735 1.00 0.00 C ATOM 903 CG PHE A 62 5.532 -3.960 3.519 1.00 0.00 C ATOM 904 CD1 PHE A 62 5.723 -5.312 3.762 1.00 0.00 C ATOM 905 CD2 PHE A 62 4.292 -3.535 3.064 1.00 0.00 C ATOM 906 CE1 PHE A 62 4.700 -6.217 3.557 1.00 0.00 C ATOM 907 CE2 PHE A 62 3.267 -4.438 2.856 1.00 0.00 C ATOM 908 CZ PHE A 62 3.472 -5.780 3.102 1.00 0.00 C ATOM 909 HA PHE A 62 7.876 -4.313 4.897 1.00 0.00 H ATOM 910 HB2 PHE A 62 6.211 -1.985 3.870 1.00 0.00 H ATOM 911 HB3 PHE A 62 7.281 -2.973 2.847 1.00 0.00 H ATOM 912 HD2 PHE A 62 4.124 -2.476 2.868 1.00 0.00 H ATOM 913 HE2 PHE A 62 2.298 -4.091 2.498 1.00 0.00 H ATOM 914 HZ PHE A 62 2.665 -6.494 2.937 1.00 0.00 H ATOM 915 HE1 PHE A 62 4.862 -7.277 3.755 1.00 0.00 H ATOM 916 HD1 PHE A 62 6.691 -5.664 4.119 1.00 0.00 H ATOM 917 H PHE A 62 6.237 -2.257 6.356 1.00 0.00 H ATOM 918 N GLU A 63 8.916 -1.603 6.023 1.00 0.00 N ATOM 919 CA GLU A 63 10.031 -0.665 6.130 1.00 0.00 C ATOM 920 C GLU A 63 11.385 -1.372 6.080 1.00 0.00 C ATOM 921 O GLU A 63 12.363 -0.815 5.576 1.00 0.00 O ATOM 922 CB GLU A 63 9.923 0.154 7.414 1.00 0.00 C ATOM 923 CG GLU A 63 8.848 1.225 7.360 1.00 0.00 C ATOM 924 CD GLU A 63 8.815 2.079 8.609 1.00 0.00 C ATOM 925 OE1 GLU A 63 9.658 2.992 8.732 1.00 0.00 O ATOM 926 OE2 GLU A 63 7.949 1.843 9.475 1.00 0.00 O ATOM 927 HA GLU A 63 9.970 0.001 5.269 1.00 0.00 H ATOM 928 HB2 GLU A 63 9.695 -0.523 8.237 1.00 0.00 H ATOM 929 HB3 GLU A 63 10.883 0.637 7.597 1.00 0.00 H ATOM 930 HG2 GLU A 63 9.039 1.869 6.501 1.00 0.00 H ATOM 931 HG3 GLU A 63 7.878 0.741 7.242 1.00 0.00 H ATOM 932 H GLU A 63 8.242 -1.681 6.811 1.00 0.00 H ATOM 933 N ASN A 64 11.447 -2.592 6.593 1.00 0.00 N ATOM 934 CA ASN A 64 12.696 -3.342 6.595 1.00 0.00 C ATOM 935 C ASN A 64 12.563 -4.608 5.756 1.00 0.00 C ATOM 936 O ASN A 64 13.161 -5.642 6.057 1.00 0.00 O ATOM 937 CB ASN A 64 13.114 -3.684 8.027 1.00 0.00 C ATOM 938 CG ASN A 64 14.589 -4.026 8.132 1.00 0.00 C ATOM 939 OD1 ASN A 64 15.397 -3.605 7.304 1.00 0.00 O ATOM 940 ND2 ASN A 64 14.949 -4.793 9.147 1.00 0.00 N ATOM 941 HA ASN A 64 13.472 -2.719 6.151 1.00 0.00 H ATOM 942 HB2 ASN A 64 12.907 -2.826 8.667 1.00 0.00 H ATOM 943 HB3 ASN A 64 12.531 -4.539 8.368 1.00 0.00 H ATOM 944 HD22 ASN A 64 14.235 -5.128 9.825 1.00 0.00 H ATOM 945 HD21 ASN A 64 15.946 -5.062 9.268 1.00 0.00 H ATOM 946 H ASN A 64 10.591 -3.021 7.000 1.00 0.00 H ATOM 947 N MET A 65 11.764 -4.521 4.705 1.00 0.00 N ATOM 948 CA MET A 65 11.557 -5.646 3.805 1.00 0.00 C ATOM 949 C MET A 65 11.956 -5.248 2.393 1.00 0.00 C ATOM 950 O MET A 65 12.064 -4.058 2.087 1.00 0.00 O ATOM 951 CB MET A 65 10.096 -6.108 3.830 1.00 0.00 C ATOM 952 CG MET A 65 9.693 -6.779 5.132 1.00 0.00 C ATOM 953 SD MET A 65 8.050 -7.520 5.064 1.00 0.00 S ATOM 954 CE MET A 65 8.340 -8.891 3.950 1.00 0.00 C ATOM 955 HA MET A 65 12.179 -6.477 4.138 1.00 0.00 H ATOM 956 HB2 MET A 65 9.457 -5.238 3.678 1.00 0.00 H ATOM 957 HB3 MET A 65 9.944 -6.816 3.015 1.00 0.00 H ATOM 958 HG2 MET A 65 9.705 -6.032 5.926 1.00 0.00 H ATOM 959 HG3 MET A 65 10.418 -7.561 5.359 1.00 0.00 H ATOM 960 HE1 MET A 65 8.686 -8.510 2.989 1.00 0.00 H ATOM 961 HE2 MET A 65 9.098 -9.549 4.375 1.00 0.00 H ATOM 962 HE3 MET A 65 7.412 -9.446 3.809 1.00 0.00 H ATOM 963 H MET A 65 11.271 -3.625 4.517 1.00 0.00 H ATOM 964 N SER A 66 12.205 -6.232 1.545 1.00 0.00 N ATOM 965 CA SER A 66 12.583 -5.963 0.166 1.00 0.00 C ATOM 966 C SER A 66 11.387 -5.405 -0.599 1.00 0.00 C ATOM 967 O SER A 66 10.247 -5.735 -0.281 1.00 0.00 O ATOM 968 CB SER A 66 13.082 -7.249 -0.488 1.00 0.00 C ATOM 969 OG SER A 66 13.628 -8.125 0.484 1.00 0.00 O ATOM 970 HA SER A 66 13.384 -5.224 0.146 1.00 0.00 H ATOM 971 HB2 SER A 66 13.850 -7.003 -1.221 1.00 0.00 H ATOM 972 HB3 SER A 66 12.249 -7.743 -0.988 1.00 0.00 H ATOM 973 HG SER A 66 13.945 -8.951 0.041 1.00 0.00 H ATOM 974 H SER A 66 12.129 -7.217 1.870 1.00 0.00 H ATOM 975 N ASN A 67 11.647 -4.566 -1.599 1.00 0.00 N ATOM 976 CA ASN A 67 10.580 -3.962 -2.402 1.00 0.00 C ATOM 977 C ASN A 67 9.649 -5.032 -2.957 1.00 0.00 C ATOM 978 O ASN A 67 8.427 -4.956 -2.804 1.00 0.00 O ATOM 979 CB ASN A 67 11.161 -3.155 -3.567 1.00 0.00 C ATOM 980 CG ASN A 67 11.938 -1.933 -3.123 1.00 0.00 C ATOM 981 OD1 ASN A 67 11.718 -1.395 -2.040 1.00 0.00 O ATOM 982 ND2 ASN A 67 12.855 -1.488 -3.966 1.00 0.00 N ATOM 983 HA ASN A 67 10.018 -3.296 -1.748 1.00 0.00 H ATOM 984 HB2 ASN A 67 11.829 -3.801 -4.137 1.00 0.00 H ATOM 985 HB3 ASN A 67 10.340 -2.830 -4.206 1.00 0.00 H ATOM 986 HD22 ASN A 67 13.008 -1.974 -4.872 1.00 0.00 H ATOM 987 HD21 ASN A 67 13.423 -0.652 -3.722 1.00 0.00 H ATOM 988 H ASN A 67 12.637 -4.332 -1.817 1.00 0.00 H ATOM 989 N ASP A 68 10.243 -6.032 -3.592 1.00 0.00 N ATOM 990 CA ASP A 68 9.490 -7.136 -4.173 1.00 0.00 C ATOM 991 C ASP A 68 8.767 -7.925 -3.096 1.00 0.00 C ATOM 992 O ASP A 68 7.604 -8.291 -3.255 1.00 0.00 O ATOM 993 CB ASP A 68 10.420 -8.074 -4.939 1.00 0.00 C ATOM 994 CG ASP A 68 10.849 -7.514 -6.277 1.00 0.00 C ATOM 995 OD1 ASP A 68 11.608 -6.521 -6.299 1.00 0.00 O ATOM 996 OD2 ASP A 68 10.429 -8.067 -7.314 1.00 0.00 O ATOM 997 HA ASP A 68 8.756 -6.711 -4.858 1.00 0.00 H ATOM 998 HB2 ASP A 68 11.310 -8.252 -4.335 1.00 0.00 H ATOM 999 HB3 ASP A 68 9.901 -9.018 -5.107 1.00 0.00 H ATOM 1000 H ASP A 68 11.279 -6.029 -3.678 1.00 0.00 H ATOM 1001 N ASP A 69 9.464 -8.167 -1.991 1.00 0.00 N ATOM 1002 CA ASP A 69 8.907 -8.928 -0.877 1.00 0.00 C ATOM 1003 C ASP A 69 7.722 -8.203 -0.257 1.00 0.00 C ATOM 1004 O ASP A 69 6.757 -8.832 0.178 1.00 0.00 O ATOM 1005 CB ASP A 69 9.973 -9.191 0.180 1.00 0.00 C ATOM 1006 CG ASP A 69 9.865 -10.584 0.765 1.00 0.00 C ATOM 1007 OD1 ASP A 69 9.684 -11.543 -0.012 1.00 0.00 O ATOM 1008 OD2 ASP A 69 9.976 -10.730 2.000 1.00 0.00 O ATOM 1009 HA ASP A 69 8.557 -9.883 -1.268 1.00 0.00 H ATOM 1010 HB2 ASP A 69 10.956 -9.076 -0.276 1.00 0.00 H ATOM 1011 HB3 ASP A 69 9.859 -8.463 0.983 1.00 0.00 H ATOM 1012 H ASP A 69 10.436 -7.803 -1.918 1.00 0.00 H ATOM 1013 N ALA A 70 7.801 -6.881 -0.225 1.00 0.00 N ATOM 1014 CA ALA A 70 6.729 -6.065 0.318 1.00 0.00 C ATOM 1015 C ALA A 70 5.459 -6.278 -0.492 1.00 0.00 C ATOM 1016 O ALA A 70 4.376 -6.455 0.064 1.00 0.00 O ATOM 1017 CB ALA A 70 7.129 -4.595 0.322 1.00 0.00 C ATOM 1018 HA ALA A 70 6.540 -6.365 1.349 1.00 0.00 H ATOM 1019 HB1 ALA A 70 8.021 -4.464 0.935 1.00 0.00 H ATOM 1020 HB2 ALA A 70 7.338 -4.274 -0.698 1.00 0.00 H ATOM 1021 HB3 ALA A 70 6.314 -3.999 0.732 1.00 0.00 H ATOM 1022 H ALA A 70 8.653 -6.415 -0.598 1.00 0.00 H ATOM 1023 N VAL A 71 5.613 -6.287 -1.812 1.00 0.00 N ATOM 1024 CA VAL A 71 4.491 -6.501 -2.715 1.00 0.00 C ATOM 1025 C VAL A 71 3.970 -7.931 -2.580 1.00 0.00 C ATOM 1026 O VAL A 71 2.764 -8.174 -2.675 1.00 0.00 O ATOM 1027 CB VAL A 71 4.885 -6.219 -4.184 1.00 0.00 C ATOM 1028 CG1 VAL A 71 3.721 -6.488 -5.124 1.00 0.00 C ATOM 1029 CG2 VAL A 71 5.367 -4.782 -4.339 1.00 0.00 C ATOM 1030 HA VAL A 71 3.702 -5.802 -2.437 1.00 0.00 H ATOM 1031 HB VAL A 71 5.699 -6.894 -4.449 1.00 0.00 H ATOM 1032 HG11 VAL A 71 3.420 -7.532 -5.037 1.00 0.00 H ATOM 1033 HG12 VAL A 71 2.884 -5.843 -4.857 1.00 0.00 H ATOM 1034 HG13 VAL A 71 4.028 -6.281 -6.149 1.00 0.00 H ATOM 1035 HG21 VAL A 71 4.569 -4.099 -4.048 1.00 0.00 H ATOM 1036 HG22 VAL A 71 6.236 -4.621 -3.701 1.00 0.00 H ATOM 1037 HG23 VAL A 71 5.640 -4.602 -5.379 1.00 0.00 H ATOM 1038 H VAL A 71 6.562 -6.137 -2.211 1.00 0.00 H ATOM 1039 N ARG A 72 4.888 -8.868 -2.339 1.00 0.00 N ATOM 1040 CA ARG A 72 4.534 -10.274 -2.167 1.00 0.00 C ATOM 1041 C ARG A 72 3.558 -10.431 -1.006 1.00 0.00 C ATOM 1042 O ARG A 72 2.468 -10.985 -1.162 1.00 0.00 O ATOM 1043 CB ARG A 72 5.783 -11.122 -1.893 1.00 0.00 C ATOM 1044 CG ARG A 72 6.711 -11.301 -3.087 1.00 0.00 C ATOM 1045 CD ARG A 72 7.918 -12.151 -2.715 1.00 0.00 C ATOM 1046 NE ARG A 72 8.894 -12.247 -3.799 1.00 0.00 N ATOM 1047 CZ ARG A 72 10.218 -12.236 -3.623 1.00 0.00 C ATOM 1048 NH1 ARG A 72 10.739 -12.095 -2.409 1.00 0.00 N ATOM 1049 NH2 ARG A 72 11.022 -12.360 -4.670 1.00 0.00 N ATOM 1050 HA ARG A 72 4.067 -10.619 -3.089 1.00 0.00 H ATOM 1051 HB2 ARG A 72 6.348 -10.644 -1.093 1.00 0.00 H ATOM 1052 HB3 ARG A 72 5.457 -12.109 -1.566 1.00 0.00 H ATOM 1053 HG2 ARG A 72 6.165 -11.790 -3.894 1.00 0.00 H ATOM 1054 HG3 ARG A 72 7.053 -10.322 -3.423 1.00 0.00 H ATOM 1055 HD2 ARG A 72 7.575 -13.155 -2.464 1.00 0.00 H ATOM 1056 HD3 ARG A 72 8.404 -11.707 -1.846 1.00 0.00 H ATOM 1057 HE ARG A 72 8.534 -12.329 -4.771 1.00 0.00 H ATOM 1058 HH12 ARG A 72 11.771 -12.088 -2.284 1.00 0.00 H ATOM 1059 HH11 ARG A 72 10.114 -11.992 -1.584 1.00 0.00 H ATOM 1060 HH22 ARG A 72 12.053 -12.352 -4.537 1.00 0.00 H ATOM 1061 HH21 ARG A 72 10.621 -12.465 -5.624 1.00 0.00 H ATOM 1062 H ARG A 72 5.887 -8.588 -2.271 1.00 0.00 H ATOM 1063 N VAL A 73 3.953 -9.919 0.156 1.00 0.00 N ATOM 1064 CA VAL A 73 3.121 -9.992 1.349 1.00 0.00 C ATOM 1065 C VAL A 73 1.860 -9.150 1.174 1.00 0.00 C ATOM 1066 O VAL A 73 0.772 -9.544 1.608 1.00 0.00 O ATOM 1067 CB VAL A 73 3.897 -9.523 2.601 1.00 0.00 C ATOM 1068 CG1 VAL A 73 3.003 -9.500 3.836 1.00 0.00 C ATOM 1069 CG2 VAL A 73 5.105 -10.412 2.840 1.00 0.00 C ATOM 1070 HA VAL A 73 2.836 -11.034 1.492 1.00 0.00 H ATOM 1071 HB VAL A 73 4.239 -8.504 2.417 1.00 0.00 H ATOM 1072 HG11 VAL A 73 2.171 -8.816 3.668 1.00 0.00 H ATOM 1073 HG12 VAL A 73 2.618 -10.503 4.023 1.00 0.00 H ATOM 1074 HG13 VAL A 73 3.583 -9.165 4.696 1.00 0.00 H ATOM 1075 HG21 VAL A 73 4.774 -11.439 2.991 1.00 0.00 H ATOM 1076 HG22 VAL A 73 5.766 -10.365 1.974 1.00 0.00 H ATOM 1077 HG23 VAL A 73 5.639 -10.067 3.725 1.00 0.00 H ATOM 1078 H VAL A 73 4.881 -9.454 0.214 1.00 0.00 H ATOM 1079 N LEU A 74 2.012 -7.997 0.529 1.00 0.00 N ATOM 1080 CA LEU A 74 0.890 -7.101 0.282 1.00 0.00 C ATOM 1081 C LEU A 74 -0.186 -7.808 -0.536 1.00 0.00 C ATOM 1082 O LEU A 74 -1.373 -7.700 -0.237 1.00 0.00 O ATOM 1083 CB LEU A 74 1.360 -5.840 -0.452 1.00 0.00 C ATOM 1084 CG LEU A 74 0.262 -4.831 -0.794 1.00 0.00 C ATOM 1085 CD1 LEU A 74 -0.276 -4.174 0.467 1.00 0.00 C ATOM 1086 CD2 LEU A 74 0.786 -3.777 -1.761 1.00 0.00 C ATOM 1087 HA LEU A 74 0.468 -6.810 1.244 1.00 0.00 H ATOM 1088 HB2 LEU A 74 2.094 -5.338 0.178 1.00 0.00 H ATOM 1089 HB3 LEU A 74 1.834 -6.150 -1.383 1.00 0.00 H ATOM 1090 HG LEU A 74 -0.555 -5.367 -1.277 1.00 0.00 H ATOM 1091 HD21 LEU A 74 1.622 -3.249 -1.303 1.00 0.00 H ATOM 1092 HD22 LEU A 74 1.120 -4.262 -2.679 1.00 0.00 H ATOM 1093 HD23 LEU A 74 -0.010 -3.069 -1.991 1.00 0.00 H ATOM 1094 HD11 LEU A 74 -0.691 -4.938 1.124 1.00 0.00 H ATOM 1095 HD12 LEU A 74 0.534 -3.654 0.978 1.00 0.00 H ATOM 1096 HD13 LEU A 74 -1.055 -3.461 0.199 1.00 0.00 H ATOM 1097 H LEU A 74 2.958 -7.727 0.192 1.00 0.00 H ATOM 1098 N ARG A 75 0.238 -8.551 -1.553 1.00 0.00 N ATOM 1099 CA ARG A 75 -0.690 -9.274 -2.411 1.00 0.00 C ATOM 1100 C ARG A 75 -1.505 -10.283 -1.614 1.00 0.00 C ATOM 1101 O ARG A 75 -2.680 -10.493 -1.900 1.00 0.00 O ATOM 1102 CB ARG A 75 0.046 -9.966 -3.564 1.00 0.00 C ATOM 1103 CG ARG A 75 0.082 -9.120 -4.825 1.00 0.00 C ATOM 1104 CD ARG A 75 0.601 -9.892 -6.028 1.00 0.00 C ATOM 1105 NE ARG A 75 0.323 -9.186 -7.281 1.00 0.00 N ATOM 1106 CZ ARG A 75 1.244 -8.883 -8.196 1.00 0.00 C ATOM 1107 NH1 ARG A 75 2.520 -9.205 -7.997 1.00 0.00 N ATOM 1108 NH2 ARG A 75 0.892 -8.236 -9.303 1.00 0.00 N ATOM 1109 HA ARG A 75 -1.378 -8.544 -2.837 1.00 0.00 H ATOM 1110 HB2 ARG A 75 1.070 -10.171 -3.252 1.00 0.00 H ATOM 1111 HB3 ARG A 75 -0.460 -10.905 -3.788 1.00 0.00 H ATOM 1112 HG2 ARG A 75 -0.928 -8.771 -5.042 1.00 0.00 H ATOM 1113 HG3 ARG A 75 0.732 -8.262 -4.653 1.00 0.00 H ATOM 1114 HD2 ARG A 75 0.118 -10.869 -6.057 1.00 0.00 H ATOM 1115 HD3 ARG A 75 1.678 -10.023 -5.927 1.00 0.00 H ATOM 1116 HE ARG A 75 -0.659 -8.902 -7.470 1.00 0.00 H ATOM 1117 HH12 ARG A 75 3.234 -8.966 -8.714 1.00 0.00 H ATOM 1118 HH11 ARG A 75 2.803 -9.695 -7.124 1.00 0.00 H ATOM 1119 HH22 ARG A 75 1.610 -7.999 -10.017 1.00 0.00 H ATOM 1120 HH21 ARG A 75 -0.101 -7.967 -9.454 1.00 0.00 H ATOM 1121 H ARG A 75 1.259 -8.618 -1.741 1.00 0.00 H ATOM 1122 N GLU A 76 -0.892 -10.890 -0.606 1.00 0.00 N ATOM 1123 CA GLU A 76 -1.585 -11.862 0.231 1.00 0.00 C ATOM 1124 C GLU A 76 -2.708 -11.191 1.017 1.00 0.00 C ATOM 1125 O GLU A 76 -3.757 -11.790 1.259 1.00 0.00 O ATOM 1126 CB GLU A 76 -0.604 -12.540 1.187 1.00 0.00 C ATOM 1127 CG GLU A 76 0.276 -13.577 0.512 1.00 0.00 C ATOM 1128 CD GLU A 76 -0.497 -14.446 -0.461 1.00 0.00 C ATOM 1129 OE1 GLU A 76 -1.355 -15.238 -0.018 1.00 0.00 O ATOM 1130 OE2 GLU A 76 -0.249 -14.338 -1.678 1.00 0.00 O ATOM 1131 HA GLU A 76 -2.022 -12.621 -0.418 1.00 0.00 H ATOM 1132 HB2 GLU A 76 0.037 -11.775 1.625 1.00 0.00 H ATOM 1133 HB3 GLU A 76 -1.173 -13.031 1.976 1.00 0.00 H ATOM 1134 HG2 GLU A 76 1.069 -13.063 -0.031 1.00 0.00 H ATOM 1135 HG3 GLU A 76 0.716 -14.215 1.278 1.00 0.00 H ATOM 1136 H GLU A 76 0.105 -10.668 -0.409 1.00 0.00 H ATOM 1137 N ILE A 77 -2.486 -9.944 1.407 1.00 0.00 N ATOM 1138 CA ILE A 77 -3.483 -9.190 2.156 1.00 0.00 C ATOM 1139 C ILE A 77 -4.551 -8.644 1.210 1.00 0.00 C ATOM 1140 O ILE A 77 -5.745 -8.720 1.487 1.00 0.00 O ATOM 1141 CB ILE A 77 -2.839 -8.020 2.932 1.00 0.00 C ATOM 1142 CG1 ILE A 77 -1.620 -8.509 3.719 1.00 0.00 C ATOM 1143 CG2 ILE A 77 -3.855 -7.375 3.866 1.00 0.00 C ATOM 1144 CD1 ILE A 77 -0.735 -7.392 4.230 1.00 0.00 C ATOM 1145 HA ILE A 77 -3.941 -9.870 2.874 1.00 0.00 H ATOM 1146 HB ILE A 77 -2.508 -7.269 2.214 1.00 0.00 H ATOM 1147 HG12 ILE A 77 -1.971 -9.088 4.573 1.00 0.00 H ATOM 1148 HG13 ILE A 77 -1.025 -9.149 3.068 1.00 0.00 H ATOM 1149 HD11 ILE A 77 -0.364 -6.809 3.387 1.00 0.00 H ATOM 1150 HD12 ILE A 77 -1.312 -6.747 4.893 1.00 0.00 H ATOM 1151 HD13 ILE A 77 0.106 -7.818 4.777 1.00 0.00 H ATOM 1152 HG21 ILE A 77 -4.693 -6.994 3.282 1.00 0.00 H ATOM 1153 HG22 ILE A 77 -4.214 -8.118 4.578 1.00 0.00 H ATOM 1154 HG23 ILE A 77 -3.382 -6.553 4.403 1.00 0.00 H ATOM 1155 H ILE A 77 -1.579 -9.493 1.173 1.00 0.00 H ATOM 1156 N VAL A 78 -4.096 -8.121 0.076 1.00 0.00 N ATOM 1157 CA VAL A 78 -4.977 -7.548 -0.941 1.00 0.00 C ATOM 1158 C VAL A 78 -5.897 -8.614 -1.549 1.00 0.00 C ATOM 1159 O VAL A 78 -7.015 -8.320 -1.972 1.00 0.00 O ATOM 1160 CB VAL A 78 -4.136 -6.861 -2.047 1.00 0.00 C ATOM 1161 CG1 VAL A 78 -5.000 -6.389 -3.208 1.00 0.00 C ATOM 1162 CG2 VAL A 78 -3.361 -5.691 -1.455 1.00 0.00 C ATOM 1163 HA VAL A 78 -5.609 -6.802 -0.460 1.00 0.00 H ATOM 1164 HB VAL A 78 -3.437 -7.599 -2.441 1.00 0.00 H ATOM 1165 HG11 VAL A 78 -5.512 -7.244 -3.650 1.00 0.00 H ATOM 1166 HG12 VAL A 78 -5.736 -5.672 -2.844 1.00 0.00 H ATOM 1167 HG13 VAL A 78 -4.369 -5.914 -3.959 1.00 0.00 H ATOM 1168 HG21 VAL A 78 -4.061 -4.969 -1.033 1.00 0.00 H ATOM 1169 HG22 VAL A 78 -2.697 -6.056 -0.671 1.00 0.00 H ATOM 1170 HG23 VAL A 78 -2.772 -5.213 -2.238 1.00 0.00 H ATOM 1171 H VAL A 78 -3.070 -8.119 -0.095 1.00 0.00 H ATOM 1172 N SER A 79 -5.429 -9.852 -1.572 1.00 0.00 N ATOM 1173 CA SER A 79 -6.221 -10.949 -2.113 1.00 0.00 C ATOM 1174 C SER A 79 -6.898 -11.729 -0.987 1.00 0.00 C ATOM 1175 O SER A 79 -7.169 -12.919 -1.117 1.00 0.00 O ATOM 1176 CB SER A 79 -5.336 -11.882 -2.941 1.00 0.00 C ATOM 1177 OG SER A 79 -4.429 -11.142 -3.743 1.00 0.00 O ATOM 1178 HA SER A 79 -6.994 -10.531 -2.758 1.00 0.00 H ATOM 1179 HB2 SER A 79 -5.967 -12.493 -3.587 1.00 0.00 H ATOM 1180 HB3 SER A 79 -4.772 -12.529 -2.269 1.00 0.00 H ATOM 1181 HG SER A 79 -3.851 -10.589 -3.160 1.00 0.00 H ATOM 1182 H SER A 79 -4.478 -10.045 -1.197 1.00 0.00 H ATOM 1183 N GLN A 80 -7.176 -11.047 0.116 1.00 0.00 N ATOM 1184 CA GLN A 80 -7.812 -11.672 1.267 1.00 0.00 C ATOM 1185 C GLN A 80 -9.087 -10.918 1.638 1.00 0.00 C ATOM 1186 O GLN A 80 -9.455 -9.949 0.973 1.00 0.00 O ATOM 1187 CB GLN A 80 -6.840 -11.698 2.453 1.00 0.00 C ATOM 1188 CG GLN A 80 -6.824 -13.024 3.198 1.00 0.00 C ATOM 1189 CD GLN A 80 -6.389 -14.198 2.332 1.00 0.00 C ATOM 1190 OE1 GLN A 80 -6.836 -15.326 2.531 1.00 0.00 O ATOM 1191 NE2 GLN A 80 -5.511 -13.950 1.370 1.00 0.00 N ATOM 1192 HA GLN A 80 -8.079 -12.698 1.011 1.00 0.00 H ATOM 1193 HB2 GLN A 80 -5.835 -11.500 2.080 1.00 0.00 H ATOM 1194 HB3 GLN A 80 -7.128 -10.913 3.152 1.00 0.00 H ATOM 1195 HG2 GLN A 80 -6.135 -12.940 4.039 1.00 0.00 H ATOM 1196 HG3 GLN A 80 -7.828 -13.223 3.571 1.00 0.00 H ATOM 1197 HE22 GLN A 80 -5.153 -12.984 1.229 1.00 0.00 H ATOM 1198 HE21 GLN A 80 -5.180 -14.722 0.756 1.00 0.00 H ATOM 1199 H GLN A 80 -6.933 -10.037 0.160 1.00 0.00 H ATOM 1200 N THR A 81 -9.762 -11.370 2.686 1.00 0.00 N ATOM 1201 CA THR A 81 -10.992 -10.736 3.139 1.00 0.00 C ATOM 1202 C THR A 81 -10.757 -9.960 4.434 1.00 0.00 C ATOM 1203 O THR A 81 -10.016 -10.414 5.306 1.00 0.00 O ATOM 1204 CB THR A 81 -12.088 -11.792 3.379 1.00 0.00 C ATOM 1205 OG1 THR A 81 -11.731 -13.024 2.734 1.00 0.00 O ATOM 1206 CG2 THR A 81 -13.427 -11.313 2.850 1.00 0.00 C ATOM 1207 HA THR A 81 -11.315 -10.046 2.360 1.00 0.00 H ATOM 1208 HB THR A 81 -12.175 -11.953 4.453 1.00 0.00 H ATOM 1209 HG1 THR A 81 -12.440 -13.696 2.893 1.00 0.00 H ATOM 1210 HG23 THR A 81 -13.697 -10.378 3.341 1.00 0.00 H ATOM 1211 HG21 THR A 81 -13.355 -11.153 1.774 1.00 0.00 H ATOM 1212 HG22 THR A 81 -14.188 -12.066 3.056 1.00 0.00 H ATOM 1213 H THR A 81 -9.403 -12.201 3.199 1.00 0.00 H ATOM 1214 N GLY A 82 -11.371 -8.792 4.556 1.00 0.00 N ATOM 1215 CA GLY A 82 -11.214 -8.002 5.762 1.00 0.00 C ATOM 1216 C GLY A 82 -10.798 -6.572 5.474 1.00 0.00 C ATOM 1217 O GLY A 82 -10.453 -6.243 4.339 1.00 0.00 O ATOM 1218 HA3 GLY A 82 -10.453 -8.468 6.388 1.00 0.00 H ATOM 1219 HA2 GLY A 82 -12.164 -7.988 6.297 1.00 0.00 H ATOM 1220 H GLY A 82 -11.969 -8.440 3.782 1.00 0.00 H ATOM 1221 N PRO A 83 -10.838 -5.694 6.490 1.00 0.00 N ATOM 1222 CA PRO A 83 -10.454 -4.288 6.345 1.00 0.00 C ATOM 1223 C PRO A 83 -8.952 -4.125 6.152 1.00 0.00 C ATOM 1224 O PRO A 83 -8.151 -4.688 6.904 1.00 0.00 O ATOM 1225 CB PRO A 83 -10.890 -3.643 7.670 1.00 0.00 C ATOM 1226 CG PRO A 83 -11.745 -4.659 8.347 1.00 0.00 C ATOM 1227 CD PRO A 83 -11.269 -5.995 7.858 1.00 0.00 C ATOM 1228 HA PRO A 83 -10.916 -3.833 5.469 1.00 0.00 H ATOM 1229 HD3 PRO A 83 -10.439 -6.363 8.461 1.00 0.00 H ATOM 1230 HD2 PRO A 83 -12.075 -6.728 7.865 1.00 0.00 H ATOM 1231 HG3 PRO A 83 -12.792 -4.510 8.082 1.00 0.00 H ATOM 1232 HG2 PRO A 83 -11.631 -4.589 9.429 1.00 0.00 H ATOM 1233 HB2 PRO A 83 -10.020 -3.407 8.283 1.00 0.00 H ATOM 1234 HB3 PRO A 83 -11.458 -2.732 7.482 1.00 0.00 H ATOM 1235 N ILE A 84 -8.572 -3.351 5.148 1.00 0.00 N ATOM 1236 CA ILE A 84 -7.165 -3.123 4.860 1.00 0.00 C ATOM 1237 C ILE A 84 -6.727 -1.757 5.373 1.00 0.00 C ATOM 1238 O ILE A 84 -7.222 -0.721 4.930 1.00 0.00 O ATOM 1239 CB ILE A 84 -6.861 -3.253 3.347 1.00 0.00 C ATOM 1240 CG1 ILE A 84 -7.053 -4.707 2.901 1.00 0.00 C ATOM 1241 CG2 ILE A 84 -5.444 -2.776 3.037 1.00 0.00 C ATOM 1242 CD1 ILE A 84 -6.882 -4.921 1.412 1.00 0.00 C ATOM 1243 HA ILE A 84 -6.596 -3.894 5.380 1.00 0.00 H ATOM 1244 HB ILE A 84 -7.556 -2.621 2.794 1.00 0.00 H ATOM 1245 HG12 ILE A 84 -6.323 -5.325 3.423 1.00 0.00 H ATOM 1246 HG13 ILE A 84 -8.059 -5.022 3.180 1.00 0.00 H ATOM 1247 HD11 ILE A 84 -7.614 -4.319 0.873 1.00 0.00 H ATOM 1248 HD12 ILE A 84 -5.876 -4.623 1.117 1.00 0.00 H ATOM 1249 HD13 ILE A 84 -7.034 -5.975 1.178 1.00 0.00 H ATOM 1250 HG21 ILE A 84 -5.342 -1.731 3.328 1.00 0.00 H ATOM 1251 HG22 ILE A 84 -4.728 -3.381 3.594 1.00 0.00 H ATOM 1252 HG23 ILE A 84 -5.254 -2.877 1.968 1.00 0.00 H ATOM 1253 H ILE A 84 -9.294 -2.897 4.553 1.00 0.00 H ATOM 1254 N SER A 85 -5.806 -1.770 6.321 1.00 0.00 N ATOM 1255 CA SER A 85 -5.294 -0.546 6.907 1.00 0.00 C ATOM 1256 C SER A 85 -3.908 -0.232 6.357 1.00 0.00 C ATOM 1257 O SER A 85 -2.957 -0.985 6.566 1.00 0.00 O ATOM 1258 CB SER A 85 -5.251 -0.667 8.431 1.00 0.00 C ATOM 1259 OG SER A 85 -6.551 -0.865 8.967 1.00 0.00 O ATOM 1260 HA SER A 85 -5.962 0.273 6.642 1.00 0.00 H ATOM 1261 HB2 SER A 85 -4.829 0.247 8.849 1.00 0.00 H ATOM 1262 HB3 SER A 85 -4.621 -1.514 8.703 1.00 0.00 H ATOM 1263 HG SER A 85 -6.493 -0.940 9.952 1.00 0.00 H ATOM 1264 H SER A 85 -5.438 -2.683 6.656 1.00 0.00 H ATOM 1265 N LEU A 86 -3.805 0.884 5.656 1.00 0.00 N ATOM 1266 CA LEU A 86 -2.550 1.300 5.059 1.00 0.00 C ATOM 1267 C LEU A 86 -1.931 2.447 5.840 1.00 0.00 C ATOM 1268 O LEU A 86 -2.569 3.475 6.059 1.00 0.00 O ATOM 1269 CB LEU A 86 -2.764 1.736 3.608 1.00 0.00 C ATOM 1270 CG LEU A 86 -3.269 0.649 2.656 1.00 0.00 C ATOM 1271 CD1 LEU A 86 -3.554 1.248 1.289 1.00 0.00 C ATOM 1272 CD2 LEU A 86 -2.257 -0.484 2.539 1.00 0.00 C ATOM 1273 HA LEU A 86 -1.873 0.446 5.085 1.00 0.00 H ATOM 1274 HB2 LEU A 86 -3.491 2.548 3.606 1.00 0.00 H ATOM 1275 HB3 LEU A 86 -1.812 2.102 3.224 1.00 0.00 H ATOM 1276 HG LEU A 86 -4.192 0.236 3.062 1.00 0.00 H ATOM 1277 HD21 LEU A 86 -1.316 -0.091 2.155 1.00 0.00 H ATOM 1278 HD22 LEU A 86 -2.093 -0.926 3.522 1.00 0.00 H ATOM 1279 HD23 LEU A 86 -2.640 -1.243 1.857 1.00 0.00 H ATOM 1280 HD11 LEU A 86 -4.314 2.023 1.385 1.00 0.00 H ATOM 1281 HD12 LEU A 86 -2.639 1.682 0.886 1.00 0.00 H ATOM 1282 HD13 LEU A 86 -3.913 0.467 0.619 1.00 0.00 H ATOM 1283 H LEU A 86 -4.647 1.481 5.529 1.00 0.00 H ATOM 1284 N THR A 87 -0.701 2.253 6.279 1.00 0.00 N ATOM 1285 CA THR A 87 0.026 3.282 7.002 1.00 0.00 C ATOM 1286 C THR A 87 1.013 3.938 6.043 1.00 0.00 C ATOM 1287 O THR A 87 2.040 3.347 5.696 1.00 0.00 O ATOM 1288 CB THR A 87 0.776 2.688 8.209 1.00 0.00 C ATOM 1289 OG1 THR A 87 0.001 1.625 8.784 1.00 0.00 O ATOM 1290 CG2 THR A 87 1.041 3.750 9.264 1.00 0.00 C ATOM 1291 HA THR A 87 -0.679 4.020 7.384 1.00 0.00 H ATOM 1292 HB THR A 87 1.734 2.302 7.860 1.00 0.00 H ATOM 1293 HG1 THR A 87 -0.142 0.918 8.106 1.00 0.00 H ATOM 1294 HG23 THR A 87 1.629 4.556 8.826 1.00 0.00 H ATOM 1295 HG21 THR A 87 0.092 4.146 9.626 1.00 0.00 H ATOM 1296 HG22 THR A 87 1.591 3.306 10.094 1.00 0.00 H ATOM 1297 H THR A 87 -0.240 1.338 6.102 1.00 0.00 H ATOM 1298 N VAL A 88 0.689 5.140 5.596 1.00 0.00 N ATOM 1299 CA VAL A 88 1.524 5.840 4.636 1.00 0.00 C ATOM 1300 C VAL A 88 2.367 6.934 5.275 1.00 0.00 C ATOM 1301 O VAL A 88 1.991 7.526 6.287 1.00 0.00 O ATOM 1302 CB VAL A 88 0.678 6.465 3.504 1.00 0.00 C ATOM 1303 CG1 VAL A 88 -0.005 5.385 2.678 1.00 0.00 C ATOM 1304 CG2 VAL A 88 -0.355 7.441 4.062 1.00 0.00 C ATOM 1305 HA VAL A 88 2.194 5.084 4.226 1.00 0.00 H ATOM 1306 HB VAL A 88 1.354 7.021 2.854 1.00 0.00 H ATOM 1307 HG11 VAL A 88 0.750 4.736 2.235 1.00 0.00 H ATOM 1308 HG12 VAL A 88 -0.659 4.796 3.321 1.00 0.00 H ATOM 1309 HG13 VAL A 88 -0.594 5.851 1.888 1.00 0.00 H ATOM 1310 HG21 VAL A 88 -1.021 6.912 4.744 1.00 0.00 H ATOM 1311 HG22 VAL A 88 0.155 8.241 4.598 1.00 0.00 H ATOM 1312 HG23 VAL A 88 -0.934 7.864 3.241 1.00 0.00 H ATOM 1313 H VAL A 88 -0.182 5.593 5.939 1.00 0.00 H ATOM 1314 N ALA A 89 3.513 7.181 4.660 1.00 0.00 N ATOM 1315 CA ALA A 89 4.434 8.209 5.104 1.00 0.00 C ATOM 1316 C ALA A 89 4.411 9.367 4.123 1.00 0.00 C ATOM 1317 O ALA A 89 4.903 9.251 2.996 1.00 0.00 O ATOM 1318 CB ALA A 89 5.843 7.652 5.230 1.00 0.00 C ATOM 1319 HA ALA A 89 4.122 8.562 6.087 1.00 0.00 H ATOM 1320 HB1 ALA A 89 5.847 6.838 5.955 1.00 0.00 H ATOM 1321 HB2 ALA A 89 6.173 7.278 4.261 1.00 0.00 H ATOM 1322 HB3 ALA A 89 6.516 8.442 5.564 1.00 0.00 H ATOM 1323 H ALA A 89 3.763 6.615 3.824 1.00 0.00 H ATOM 1324 N LYS A 90 3.814 10.468 4.539 1.00 0.00 N ATOM 1325 CA LYS A 90 3.714 11.644 3.695 1.00 0.00 C ATOM 1326 C LYS A 90 4.692 12.714 4.153 1.00 0.00 C ATOM 1327 O LYS A 90 4.405 13.385 5.163 1.00 0.00 O ATOM 1328 CB LYS A 90 2.287 12.190 3.725 1.00 0.00 C ATOM 1329 CG LYS A 90 1.228 11.125 3.499 1.00 0.00 C ATOM 1330 CD LYS A 90 -0.176 11.680 3.678 1.00 0.00 C ATOM 1331 CE LYS A 90 -0.530 12.685 2.594 1.00 0.00 C ATOM 1332 NZ LYS A 90 -0.624 12.051 1.256 1.00 0.00 N ATOM 1333 HA LYS A 90 3.965 11.360 2.673 1.00 0.00 H ATOM 1334 OXT LYS A 90 5.743 12.881 3.503 1.00 0.00 O ATOM 1335 HB2 LYS A 90 2.113 12.649 4.698 1.00 0.00 H ATOM 1336 HB3 LYS A 90 2.189 12.945 2.945 1.00 0.00 H ATOM 1337 HG2 LYS A 90 1.328 10.737 2.485 1.00 0.00 H ATOM 1338 HG3 LYS A 90 1.382 10.316 4.213 1.00 0.00 H ATOM 1339 HD2 LYS A 90 -0.888 10.856 3.641 1.00 0.00 H ATOM 1340 HD3 LYS A 90 -0.240 12.171 4.649 1.00 0.00 H ATOM 1341 HE2 LYS A 90 0.239 13.457 2.565 1.00 0.00 H ATOM 1342 HE3 LYS A 90 -1.490 13.140 2.836 1.00 0.00 H ATOM 1343 HZ1 LYS A 90 0.291 11.620 1.013 1.00 0.00 H ATOM 1344 HZ2 LYS A 90 -1.361 11.318 1.272 1.00 0.00 H ATOM 1345 HZ3 LYS A 90 -0.867 12.773 0.548 1.00 0.00 H ATOM 1346 H LYS A 90 3.405 10.493 5.495 1.00 0.00 H TER 1347 LYS A 90 HETATM 1348 C20 SUZ A 1 3.242 -3.753 -8.555 1.00 -0.05 C HETATM 1349 C19 SUZ A 1 2.168 -2.874 -8.596 1.00 -0.06 C HETATM 1350 C5 SUZ A 1 1.108 -3.072 -9.540 1.00 -0.04 C HETATM 1351 C6 SUZ A 1 -0.243 -2.439 -9.267 1.00 0.00 C HETATM 1352 C7 SUZ A 1 -1.092 -2.798 -8.122 1.00 0.03 C HETATM 1353 C18 SUZ A 1 -0.709 -3.866 -7.068 1.00 -0.03 C HETATM 1354 C17 SUZ A 1 0.339 -4.799 -6.902 1.00 -0.07 C HETATM 1355 C16 SUZ A 1 0.339 -5.594 -5.808 1.00 -0.04 C HETATM 1356 C15 SUZ A 1 -0.677 -5.508 -4.848 1.00 0.12 C HETATM 1357 F SUZ A 1 -0.643 -6.315 -3.777 1.00 -0.19 F HETATM 1358 C14 SUZ A 1 -1.716 -4.603 -4.996 1.00 -0.04 C HETATM 1359 C13 SUZ A 1 -1.723 -3.795 -6.098 1.00 -0.04 C HETATM 1360 C10 SUZ A 1 -2.707 -2.714 -6.540 1.00 -0.05 C HETATM 1361 C11 SUZ A 1 -3.885 -2.326 -5.587 1.00 0.02 C HETATM 1362 C12 SUZ A 1 -5.250 -2.451 -6.257 1.00 0.04 C HETATM 1363 O3 SUZ A 1 -5.508 -1.702 -7.317 1.00 -0.57 O HETATM 1364 O2 SUZ A 1 -6.126 -3.214 -5.822 1.00 -0.57 O HETATM 1365 H9 SUZ A 1 -3.747 -1.284 -5.262 1.00 0.05 H HETATM 1366 H10 SUZ A 1 -3.861 -2.990 -4.710 1.00 0.05 H HETATM 1367 C8 SUZ A 1 -2.363 -2.131 -7.711 1.00 -0.05 C HETATM 1368 C9 SUZ A 1 -3.102 -1.060 -8.416 1.00 -0.03 C HETATM 1369 H11 SUZ A 1 -4.001 -0.795 -7.840 1.00 0.04 H HETATM 1370 H12 SUZ A 1 -3.398 -1.415 -9.415 1.00 0.04 H HETATM 1371 H13 SUZ A 1 -2.457 -0.175 -8.517 1.00 0.04 H HETATM 1372 H8 SUZ A 1 -2.505 -4.538 -4.255 1.00 0.05 H HETATM 1373 H7 SUZ A 1 1.140 -6.311 -5.672 1.00 0.05 H HETATM 1374 H6 SUZ A 1 1.130 -4.876 -7.639 1.00 0.05 H HETATM 1375 H5 SUZ A 1 -1.623 -3.526 -8.753 1.00 0.07 H HETATM 1376 H3 SUZ A 1 -0.851 -2.631 -10.163 1.00 0.05 H HETATM 1377 H4 SUZ A 1 -0.056 -1.359 -9.175 1.00 0.05 H HETATM 1378 C4 SUZ A 1 1.170 -4.155 -10.401 1.00 -0.06 C HETATM 1379 C3 SUZ A 1 2.269 -5.056 -10.359 1.00 -0.05 C HETATM 1380 C2 SUZ A 1 3.298 -4.857 -9.450 1.00 0.03 C HETATM 1381 S SUZ A 1 4.661 -5.937 -9.370 1.00 0.05 S HETATM 1382 O1 SUZ A 1 4.299 -7.251 -8.925 1.00 -0.25 O HETATM 1383 C1 SUZ A 1 5.675 -5.182 -8.133 1.00 0.02 C HETATM 1384 H16 SUZ A 1 6.585 -5.782 -7.988 1.00 0.04 H HETATM 1385 H17 SUZ A 1 5.118 -5.127 -7.186 1.00 0.04 H HETATM 1386 H18 SUZ A 1 5.952 -4.168 -8.455 1.00 0.04 H HETATM 1387 H15 SUZ A 1 2.303 -5.900 -11.038 1.00 0.06 H HETATM 1388 H14 SUZ A 1 0.371 -4.318 -11.115 1.00 0.06 H HETATM 1389 H2 SUZ A 1 2.131 -2.034 -7.911 1.00 0.06 H HETATM 1390 H1 SUZ A 1 4.040 -3.597 -7.838 1.00 0.06 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 1348 1349 1380 1390 CONECT 1349 1348 1350 1389 CONECT 1350 1349 1351 1378 CONECT 1351 1350 1352 1376 1377 CONECT 1352 1351 1353 1367 1375 CONECT 1353 1352 1354 1359 CONECT 1354 1353 1355 1374 CONECT 1355 1354 1356 1373 CONECT 1356 1355 1357 1358 CONECT 1357 1356 CONECT 1358 1356 1359 1372 CONECT 1359 1353 1358 1360 CONECT 1360 1359 1361 1367 CONECT 1361 1360 1362 1365 1366 CONECT 1362 1361 1363 1364 CONECT 1363 1362 CONECT 1364 1362 CONECT 1365 1361 CONECT 1366 1361 CONECT 1367 1352 1360 1368 CONECT 1368 1367 1369 1370 1371 CONECT 1369 1368 CONECT 1370 1368 CONECT 1371 1368 CONECT 1372 1358 CONECT 1373 1355 CONECT 1374 1354 CONECT 1375 1352 CONECT 1376 1351 CONECT 1377 1351 CONECT 1378 1350 1379 1388 CONECT 1379 1378 1380 1387 CONECT 1380 1348 1379 1381 CONECT 1381 1380 1382 1383 CONECT 1382 1381 CONECT 1383 1381 1384 1385 1386 CONECT 1384 1383 CONECT 1385 1383 CONECT 1386 1383 CONECT 1387 1379 CONECT 1388 1378 CONECT 1389 1349 CONECT 1390 1348 MASTER 0 0 0 0 0 0 0 0 1389 1 47 7 END
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Related entries of code: 2kaw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
2kaw
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Segment polarity protein dishevelled homolog DVL-1
Ligand Name
SUZ
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Ki=10.7uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Angew.Chem.Int.Ed.Engl. Vol. 48: pp. 6448-6452
Ligand Properties
Formula
C
2
0
H
1
9
FO
3
S
Molecular Weight
358.426
Exact Mass
358.104
No. of atoms
44
No. of bonds
46
Polar Surface Area
73.58
LOGP Value
4.06 (
Computed with XLOGP3
)
5.02 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 3
Canonical SMILES
OC(=O)CC1=C(C)[C@H](c2c1cc(F)cc2)Cc1ccc(cc1)[S@](=O)C
InChI String
InChI=1S/C20H19FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-8,10,17H,9,11H2,1-2H3,(H,22,23)/t17-,25-/m1/s1
Links to External Databases
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PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P51141
Entrez Gene ID
NCBI Entrez Gene ID:
13542
ASD
Information of known allosteric effects of PDB entries
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