Browse entries in the PDBbind-CN Database
HEADER 1N7T_COMPLEX COMPND 1N7T_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 103 GLY SER HIS MET GLY HIS GLU LEU ALA LYS GLN GLU ILE SEQRES 2 A 103 ARG VAL ARG VAL GLU LYS ASP PRO GLU LEU GLY PHE SER SEQRES 3 A 103 ILE SER GLY GLY VAL GLY GLY ARG GLY ASN PRO PHE ARG SEQRES 4 A 103 PRO ASP ASP ASP GLY ILE PHE VAL THR ARG VAL GLN PRO SEQRES 5 A 103 GLU GLY PRO ALA SER LYS LEU LEU GLN PRO GLY ASP LYS SEQRES 6 A 103 ILE ILE GLN ALA ASN GLY TYR SER PHE ILE ASN ILE GLU SEQRES 7 A 103 HIS GLY GLN ALA VAL SER LEU LEU LYS THR PHE GLN ASN SEQRES 8 A 103 THR VAL GLU LEU ILE ILE VAL ARG GLU VAL SER SER HET THR A 104 117 ATOM 1 N GLY A 1 14.617 -16.728 -32.125 1.00 0.00 N ATOM 2 CA GLY A 1 15.491 -16.646 -33.327 1.00 0.00 C ATOM 3 C GLY A 1 16.572 -15.593 -33.187 1.00 0.00 C ATOM 4 O GLY A 1 17.751 -15.871 -33.408 1.00 0.00 O ATOM 5 HA3 GLY A 1 14.874 -16.402 -34.192 1.00 0.00 H ATOM 6 HA2 GLY A 1 15.965 -17.615 -33.482 1.00 0.00 H ATOM 7 HN3 GLY A 1 14.153 -15.810 -31.972 1.00 0.00 H ATOM 8 HN2 GLY A 1 15.194 -16.969 -31.294 1.00 0.00 H ATOM 9 HN1 GLY A 1 13.895 -17.462 -32.272 1.00 0.00 H ATOM 10 N SER A 2 16.172 -14.381 -32.820 1.00 0.00 N ATOM 11 CA SER A 2 17.115 -13.282 -32.650 1.00 0.00 C ATOM 12 C SER A 2 16.537 -12.204 -31.741 1.00 0.00 C ATOM 13 O SER A 2 15.415 -12.327 -31.250 1.00 0.00 O ATOM 14 CB SER A 2 17.475 -12.679 -34.010 1.00 0.00 C ATOM 15 OG SER A 2 16.318 -12.214 -34.683 1.00 0.00 O ATOM 16 HA SER A 2 18.017 -13.678 -32.184 1.00 0.00 H ATOM 17 HB2 SER A 2 17.961 -13.440 -34.620 1.00 0.00 H ATOM 18 HB3 SER A 2 18.160 -11.844 -33.860 1.00 0.00 H ATOM 19 HG SER A 2 16.578 -11.830 -35.558 1.00 0.00 H ATOM 20 H SER A 2 15.160 -14.211 -32.649 1.00 0.00 H ATOM 21 N HIS A 3 17.309 -11.145 -31.521 1.00 0.00 N ATOM 22 CA HIS A 3 16.874 -10.044 -30.671 1.00 0.00 C ATOM 23 C HIS A 3 15.869 -9.160 -31.401 1.00 0.00 C ATOM 24 O HIS A 3 16.068 -8.806 -32.563 1.00 0.00 O ATOM 25 CB HIS A 3 18.076 -9.209 -30.228 1.00 0.00 C ATOM 26 CG HIS A 3 17.816 -8.391 -29.002 1.00 0.00 C ATOM 27 ND1 HIS A 3 17.686 -7.018 -29.025 1.00 0.00 N ATOM 28 CD2 HIS A 3 17.660 -8.759 -27.708 1.00 0.00 C ATOM 29 CE1 HIS A 3 17.463 -6.578 -27.800 1.00 0.00 C ATOM 30 NE2 HIS A 3 17.442 -7.614 -26.982 1.00 0.00 N ATOM 31 HA HIS A 3 16.389 -10.466 -29.791 1.00 0.00 H ATOM 32 HB2 HIS A 3 18.908 -9.883 -30.023 1.00 0.00 H ATOM 33 HB3 HIS A 3 18.347 -8.536 -31.041 1.00 0.00 H ATOM 34 HD2 HIS A 3 17.700 -9.775 -27.316 1.00 0.00 H ATOM 35 HE1 HIS A 3 17.320 -5.536 -27.513 1.00 0.00 H ATOM 36 H HIS A 3 18.248 -11.101 -31.967 1.00 0.00 H ATOM 37 N MET A 4 14.787 -8.807 -30.713 1.00 0.00 N ATOM 38 CA MET A 4 13.752 -7.963 -31.297 1.00 0.00 C ATOM 39 C MET A 4 14.121 -6.488 -31.177 1.00 0.00 C ATOM 40 O MET A 4 14.987 -6.118 -30.384 1.00 0.00 O ATOM 41 CB MET A 4 12.409 -8.223 -30.613 1.00 0.00 C ATOM 42 CG MET A 4 12.000 -9.685 -30.621 1.00 0.00 C ATOM 43 SD MET A 4 11.143 -10.158 -32.134 1.00 0.00 S ATOM 44 CE MET A 4 10.683 -11.846 -31.751 1.00 0.00 C ATOM 45 HA MET A 4 13.668 -8.212 -32.355 1.00 0.00 H ATOM 46 HB2 MET A 4 12.478 -7.889 -29.578 1.00 0.00 H ATOM 47 HB3 MET A 4 11.641 -7.647 -31.129 1.00 0.00 H ATOM 48 HG2 MET A 4 11.339 -9.867 -29.774 1.00 0.00 H ATOM 49 HG3 MET A 4 12.895 -10.299 -30.520 1.00 0.00 H ATOM 50 HE1 MET A 4 11.582 -12.431 -31.558 1.00 0.00 H ATOM 51 HE2 MET A 4 10.045 -11.856 -30.867 1.00 0.00 H ATOM 52 HE3 MET A 4 10.143 -12.275 -32.595 1.00 0.00 H ATOM 53 H MET A 4 14.677 -9.141 -29.734 1.00 0.00 H ATOM 54 N GLY A 5 13.457 -5.652 -31.970 1.00 0.00 N ATOM 55 CA GLY A 5 13.727 -4.225 -31.940 1.00 0.00 C ATOM 56 C GLY A 5 12.563 -3.404 -32.464 1.00 0.00 C ATOM 57 O GLY A 5 11.799 -2.833 -31.687 1.00 0.00 O ATOM 58 HA3 GLY A 5 14.604 -4.021 -32.555 1.00 0.00 H ATOM 59 HA2 GLY A 5 13.930 -3.928 -30.911 1.00 0.00 H ATOM 60 H GLY A 5 12.735 -6.025 -32.620 1.00 0.00 H ATOM 61 N HIS A 6 12.429 -3.346 -33.785 1.00 0.00 N ATOM 62 CA HIS A 6 11.352 -2.589 -34.411 1.00 0.00 C ATOM 63 C HIS A 6 10.113 -3.469 -34.601 1.00 0.00 C ATOM 64 O HIS A 6 9.644 -3.680 -35.721 1.00 0.00 O ATOM 65 CB HIS A 6 11.824 -2.018 -35.752 1.00 0.00 C ATOM 66 CG HIS A 6 12.811 -0.900 -35.607 1.00 0.00 C ATOM 67 ND1 HIS A 6 12.811 -0.029 -34.538 1.00 0.00 N ATOM 68 CD2 HIS A 6 13.836 -0.514 -36.404 1.00 0.00 C ATOM 69 CE1 HIS A 6 13.791 0.845 -34.683 1.00 0.00 C ATOM 70 NE2 HIS A 6 14.428 0.572 -35.806 1.00 0.00 N ATOM 71 HA HIS A 6 11.079 -1.761 -33.757 1.00 0.00 H ATOM 72 HB2 HIS A 6 12.291 -2.820 -36.324 1.00 0.00 H ATOM 73 HB3 HIS A 6 10.955 -1.645 -36.294 1.00 0.00 H ATOM 74 HD2 HIS A 6 14.135 -0.978 -37.344 1.00 0.00 H ATOM 75 HE1 HIS A 6 14.032 1.654 -33.993 1.00 0.00 H ATOM 76 H HIS A 6 13.109 -3.853 -34.387 1.00 0.00 H ATOM 77 N GLU A 7 9.590 -3.980 -33.492 1.00 0.00 N ATOM 78 CA GLU A 7 8.409 -4.835 -33.525 1.00 0.00 C ATOM 79 C GLU A 7 7.845 -5.037 -32.123 1.00 0.00 C ATOM 80 O GLU A 7 8.407 -4.551 -31.141 1.00 0.00 O ATOM 81 CB GLU A 7 8.751 -6.187 -34.151 1.00 0.00 C ATOM 82 CG GLU A 7 9.931 -6.879 -33.489 1.00 0.00 C ATOM 83 CD GLU A 7 10.617 -7.870 -34.408 1.00 0.00 C ATOM 84 OE1 GLU A 7 10.033 -8.943 -34.667 1.00 0.00 O ATOM 85 OE2 GLU A 7 11.741 -7.574 -34.868 1.00 0.00 O ATOM 86 HA GLU A 7 7.651 -4.343 -34.134 1.00 0.00 H ATOM 87 HB2 GLU A 7 7.879 -6.836 -34.069 1.00 0.00 H ATOM 88 HB3 GLU A 7 8.988 -6.030 -35.203 1.00 0.00 H ATOM 89 HG2 GLU A 7 10.656 -6.122 -33.188 1.00 0.00 H ATOM 90 HG3 GLU A 7 9.574 -7.410 -32.607 1.00 0.00 H ATOM 91 H GLU A 7 10.034 -3.765 -32.577 1.00 0.00 H ATOM 92 N LEU A 8 6.732 -5.757 -32.037 1.00 0.00 N ATOM 93 CA LEU A 8 6.090 -6.023 -30.756 1.00 0.00 C ATOM 94 C LEU A 8 6.889 -7.038 -29.942 1.00 0.00 C ATOM 95 O LEU A 8 6.853 -8.235 -30.221 1.00 0.00 O ATOM 96 CB LEU A 8 4.667 -6.539 -30.977 1.00 0.00 C ATOM 97 CG LEU A 8 3.767 -6.486 -29.743 1.00 0.00 C ATOM 98 CD1 LEU A 8 3.457 -5.044 -29.374 1.00 0.00 C ATOM 99 CD2 LEU A 8 2.485 -7.265 -29.985 1.00 0.00 C ATOM 100 HA LEU A 8 6.052 -5.088 -30.197 1.00 0.00 H ATOM 101 HB2 LEU A 8 4.205 -5.937 -31.760 1.00 0.00 H ATOM 102 HB3 LEU A 8 4.729 -7.576 -31.307 1.00 0.00 H ATOM 103 HG LEU A 8 4.295 -6.948 -28.909 1.00 0.00 H ATOM 104 HD21 LEU A 8 1.952 -6.831 -30.831 1.00 0.00 H ATOM 105 HD22 LEU A 8 2.729 -8.305 -30.202 1.00 0.00 H ATOM 106 HD23 LEU A 8 1.858 -7.215 -29.095 1.00 0.00 H ATOM 107 HD11 LEU A 8 4.387 -4.517 -29.159 1.00 0.00 H ATOM 108 HD12 LEU A 8 2.948 -4.559 -30.207 1.00 0.00 H ATOM 109 HD13 LEU A 8 2.815 -5.026 -28.493 1.00 0.00 H ATOM 110 H LEU A 8 6.308 -6.141 -32.906 1.00 0.00 H ATOM 111 N ALA A 9 7.610 -6.550 -28.935 1.00 0.00 N ATOM 112 CA ALA A 9 8.416 -7.420 -28.086 1.00 0.00 C ATOM 113 C ALA A 9 8.968 -6.664 -26.879 1.00 0.00 C ATOM 114 O ALA A 9 8.587 -5.522 -26.620 1.00 0.00 O ATOM 115 CB ALA A 9 9.550 -8.036 -28.892 1.00 0.00 C ATOM 116 HA ALA A 9 7.773 -8.217 -27.713 1.00 0.00 H ATOM 117 HB1 ALA A 9 9.135 -8.622 -29.712 1.00 0.00 H ATOM 118 HB2 ALA A 9 10.181 -7.243 -29.293 1.00 0.00 H ATOM 119 HB3 ALA A 9 10.143 -8.683 -28.246 1.00 0.00 H ATOM 120 H ALA A 9 7.598 -5.527 -28.750 1.00 0.00 H ATOM 121 N LYS A 10 9.863 -7.314 -26.139 1.00 0.00 N ATOM 122 CA LYS A 10 10.465 -6.714 -24.952 1.00 0.00 C ATOM 123 C LYS A 10 11.302 -5.483 -25.320 1.00 0.00 C ATOM 124 O LYS A 10 12.410 -5.607 -25.840 1.00 0.00 O ATOM 125 CB LYS A 10 11.322 -7.761 -24.219 1.00 0.00 C ATOM 126 CG LYS A 10 10.721 -8.209 -22.897 1.00 0.00 C ATOM 127 CD LYS A 10 11.713 -9.019 -22.075 1.00 0.00 C ATOM 128 CE LYS A 10 12.758 -8.127 -21.423 1.00 0.00 C ATOM 129 NZ LYS A 10 13.894 -8.916 -20.870 1.00 0.00 N ATOM 130 HA LYS A 10 9.668 -6.381 -24.287 1.00 0.00 H ATOM 131 HB2 LYS A 10 11.430 -8.633 -24.864 1.00 0.00 H ATOM 132 HB3 LYS A 10 12.304 -7.330 -24.025 1.00 0.00 H ATOM 133 HG2 LYS A 10 10.425 -7.329 -22.327 1.00 0.00 H ATOM 134 HG3 LYS A 10 9.843 -8.823 -23.098 1.00 0.00 H ATOM 135 HD2 LYS A 10 11.172 -9.558 -21.297 1.00 0.00 H ATOM 136 HD3 LYS A 10 12.215 -9.733 -22.728 1.00 0.00 H ATOM 137 HE2 LYS A 10 12.289 -7.568 -20.613 1.00 0.00 H ATOM 138 HE3 LYS A 10 13.142 -7.431 -22.168 1.00 0.00 H ATOM 139 HZ1 LYS A 10 13.537 -9.579 -20.153 1.00 0.00 H ATOM 140 HZ2 LYS A 10 14.352 -9.447 -21.638 1.00 0.00 H ATOM 141 HZ3 LYS A 10 14.583 -8.270 -20.435 1.00 0.00 H ATOM 142 H LYS A 10 10.142 -8.277 -26.414 1.00 0.00 H ATOM 143 N GLN A 11 10.763 -4.296 -25.041 1.00 0.00 N ATOM 144 CA GLN A 11 11.458 -3.046 -25.340 1.00 0.00 C ATOM 145 C GLN A 11 12.150 -2.493 -24.092 1.00 0.00 C ATOM 146 O GLN A 11 11.912 -2.963 -22.981 1.00 0.00 O ATOM 147 CB GLN A 11 10.469 -2.016 -25.887 1.00 0.00 C ATOM 148 CG GLN A 11 9.232 -1.843 -25.015 1.00 0.00 C ATOM 149 CD GLN A 11 7.962 -2.363 -25.669 1.00 0.00 C ATOM 150 OE1 GLN A 11 7.447 -1.765 -26.613 1.00 0.00 O ATOM 151 NE2 GLN A 11 7.447 -3.479 -25.162 1.00 0.00 N ATOM 152 HA GLN A 11 12.220 -3.250 -26.093 1.00 0.00 H ATOM 153 HB2 GLN A 11 10.977 -1.054 -25.962 1.00 0.00 H ATOM 154 HB3 GLN A 11 10.151 -2.335 -26.879 1.00 0.00 H ATOM 155 HG2 GLN A 11 9.388 -2.383 -24.081 1.00 0.00 H ATOM 156 HG3 GLN A 11 9.103 -0.782 -24.802 1.00 0.00 H ATOM 157 HE22 GLN A 11 7.916 -3.952 -24.363 1.00 0.00 H ATOM 158 HE21 GLN A 11 6.575 -3.879 -25.564 1.00 0.00 H ATOM 159 H GLN A 11 9.823 -4.259 -24.599 1.00 0.00 H ATOM 160 N GLU A 12 13.005 -1.490 -24.284 1.00 0.00 N ATOM 161 CA GLU A 12 13.726 -0.874 -23.171 1.00 0.00 C ATOM 162 C GLU A 12 13.651 0.652 -23.248 1.00 0.00 C ATOM 163 O GLU A 12 14.442 1.288 -23.946 1.00 0.00 O ATOM 164 CB GLU A 12 15.187 -1.328 -23.171 1.00 0.00 C ATOM 165 CG GLU A 12 15.851 -1.224 -21.809 1.00 0.00 C ATOM 166 CD GLU A 12 17.344 -1.481 -21.868 1.00 0.00 C ATOM 167 OE1 GLU A 12 17.748 -2.659 -21.775 1.00 0.00 O ATOM 168 OE2 GLU A 12 18.108 -0.503 -22.006 1.00 0.00 O ATOM 169 HA GLU A 12 13.254 -1.194 -22.242 1.00 0.00 H ATOM 170 HB2 GLU A 12 15.226 -2.368 -23.496 1.00 0.00 H ATOM 171 HB3 GLU A 12 15.742 -0.707 -23.875 1.00 0.00 H ATOM 172 HG2 GLU A 12 15.684 -0.222 -21.414 1.00 0.00 H ATOM 173 HG3 GLU A 12 15.396 -1.956 -21.142 1.00 0.00 H ATOM 174 H GLU A 12 13.164 -1.136 -25.249 1.00 0.00 H ATOM 175 N ILE A 13 12.689 1.230 -22.526 1.00 0.00 N ATOM 176 CA ILE A 13 12.502 2.684 -22.516 1.00 0.00 C ATOM 177 C ILE A 13 12.820 3.297 -21.155 1.00 0.00 C ATOM 178 O ILE A 13 12.819 2.612 -20.132 1.00 0.00 O ATOM 179 CB ILE A 13 11.064 3.093 -22.913 1.00 0.00 C ATOM 180 CG1 ILE A 13 10.012 2.361 -22.037 1.00 0.00 C ATOM 181 CG2 ILE A 13 10.844 2.867 -24.409 1.00 0.00 C ATOM 182 CD1 ILE A 13 9.661 0.941 -22.466 1.00 0.00 C ATOM 183 HA ILE A 13 13.203 3.068 -23.257 1.00 0.00 H ATOM 184 HB ILE A 13 10.934 4.158 -22.723 1.00 0.00 H ATOM 185 HG12 ILE A 13 10.398 2.317 -21.018 1.00 0.00 H ATOM 186 HG13 ILE A 13 9.096 2.951 -22.052 1.00 0.00 H ATOM 187 HD11 ILE A 13 9.256 0.958 -23.478 1.00 0.00 H ATOM 188 HD12 ILE A 13 10.559 0.323 -22.443 1.00 0.00 H ATOM 189 HD13 ILE A 13 8.918 0.530 -21.783 1.00 0.00 H ATOM 190 HG21 ILE A 13 11.555 3.469 -24.975 1.00 0.00 H ATOM 191 HG22 ILE A 13 10.992 1.812 -24.642 1.00 0.00 H ATOM 192 HG23 ILE A 13 9.828 3.159 -24.674 1.00 0.00 H ATOM 193 H ILE A 13 12.056 0.634 -21.956 1.00 0.00 H ATOM 194 N ARG A 14 13.090 4.604 -21.160 1.00 0.00 N ATOM 195 CA ARG A 14 13.412 5.338 -19.939 1.00 0.00 C ATOM 196 C ARG A 14 12.332 6.370 -19.623 1.00 0.00 C ATOM 197 O ARG A 14 11.622 6.830 -20.518 1.00 0.00 O ATOM 198 CB ARG A 14 14.768 6.038 -20.079 1.00 0.00 C ATOM 199 CG ARG A 14 15.459 6.278 -18.747 1.00 0.00 C ATOM 200 CD ARG A 14 16.642 7.230 -18.877 1.00 0.00 C ATOM 201 NE ARG A 14 16.225 8.635 -18.937 1.00 0.00 N ATOM 202 CZ ARG A 14 15.979 9.315 -20.064 1.00 0.00 C ATOM 203 NH1 ARG A 14 16.055 8.733 -21.259 1.00 0.00 N ATOM 204 NH2 ARG A 14 15.636 10.593 -19.990 1.00 0.00 N ATOM 205 HA ARG A 14 13.461 4.621 -19.119 1.00 0.00 H ATOM 206 HB2 ARG A 14 15.416 5.418 -20.699 1.00 0.00 H ATOM 207 HB3 ARG A 14 14.613 7.000 -20.567 1.00 0.00 H ATOM 208 HG2 ARG A 14 14.739 6.705 -18.049 1.00 0.00 H ATOM 209 HG3 ARG A 14 15.816 5.324 -18.359 1.00 0.00 H ATOM 210 HD2 ARG A 14 17.188 6.987 -19.788 1.00 0.00 H ATOM 211 HD3 ARG A 14 17.296 7.095 -18.016 1.00 0.00 H ATOM 212 HE ARG A 14 16.112 9.142 -18.036 1.00 0.00 H ATOM 213 HH12 ARG A 14 15.859 9.284 -22.119 1.00 0.00 H ATOM 214 HH11 ARG A 14 16.310 7.728 -21.332 1.00 0.00 H ATOM 215 HH22 ARG A 14 15.443 11.131 -20.859 1.00 0.00 H ATOM 216 HH21 ARG A 14 15.560 11.058 -19.063 1.00 0.00 H ATOM 217 H ARG A 14 13.070 5.117 -22.064 1.00 0.00 H ATOM 218 N VAL A 15 12.215 6.732 -18.348 1.00 0.00 N ATOM 219 CA VAL A 15 11.222 7.711 -17.918 1.00 0.00 C ATOM 220 C VAL A 15 11.819 8.703 -16.923 1.00 0.00 C ATOM 221 O VAL A 15 12.649 8.337 -16.091 1.00 0.00 O ATOM 222 CB VAL A 15 10.005 7.026 -17.271 1.00 0.00 C ATOM 223 CG1 VAL A 15 9.197 6.271 -18.316 1.00 0.00 C ATOM 224 CG2 VAL A 15 10.453 6.093 -16.155 1.00 0.00 C ATOM 225 HA VAL A 15 10.899 8.246 -18.811 1.00 0.00 H ATOM 226 HB VAL A 15 9.364 7.794 -16.838 1.00 0.00 H ATOM 227 HG11 VAL A 15 8.847 6.969 -19.077 1.00 0.00 H ATOM 228 HG12 VAL A 15 9.826 5.511 -18.780 1.00 0.00 H ATOM 229 HG13 VAL A 15 8.342 5.794 -17.837 1.00 0.00 H ATOM 230 HG21 VAL A 15 11.115 5.330 -16.565 1.00 0.00 H ATOM 231 HG22 VAL A 15 10.984 6.666 -15.395 1.00 0.00 H ATOM 232 HG23 VAL A 15 9.580 5.617 -15.709 1.00 0.00 H ATOM 233 H VAL A 15 12.847 6.307 -17.640 1.00 0.00 H ATOM 234 N ARG A 16 11.387 9.959 -17.012 1.00 0.00 N ATOM 235 CA ARG A 16 11.872 11.007 -16.119 1.00 0.00 C ATOM 236 C ARG A 16 10.782 11.413 -15.122 1.00 0.00 C ATOM 237 O ARG A 16 9.811 12.076 -15.486 1.00 0.00 O ATOM 238 CB ARG A 16 12.346 12.220 -16.941 1.00 0.00 C ATOM 239 CG ARG A 16 13.827 12.519 -16.777 1.00 0.00 C ATOM 240 CD ARG A 16 14.277 13.655 -17.686 1.00 0.00 C ATOM 241 NE ARG A 16 14.182 13.298 -19.101 1.00 0.00 N ATOM 242 CZ ARG A 16 14.862 13.905 -20.079 1.00 0.00 C ATOM 243 NH1 ARG A 16 15.696 14.907 -19.814 1.00 0.00 N ATOM 244 NH2 ARG A 16 14.705 13.505 -21.334 1.00 0.00 N ATOM 245 HA ARG A 16 12.718 10.622 -15.550 1.00 0.00 H ATOM 246 HB2 ARG A 16 12.148 12.023 -17.994 1.00 0.00 H ATOM 247 HB3 ARG A 16 11.779 13.095 -16.624 1.00 0.00 H ATOM 248 HG2 ARG A 16 14.019 12.798 -15.741 1.00 0.00 H ATOM 249 HG3 ARG A 16 14.398 11.623 -17.022 1.00 0.00 H ATOM 250 HD2 ARG A 16 15.313 13.902 -17.454 1.00 0.00 H ATOM 251 HD3 ARG A 16 13.647 14.525 -17.500 1.00 0.00 H ATOM 252 HE ARG A 16 13.543 12.521 -19.364 1.00 0.00 H ATOM 253 HH12 ARG A 16 16.217 15.368 -20.587 1.00 0.00 H ATOM 254 HH11 ARG A 16 15.827 15.229 -18.834 1.00 0.00 H ATOM 255 HH22 ARG A 16 15.231 13.974 -22.099 1.00 0.00 H ATOM 256 HH21 ARG A 16 14.056 12.723 -21.553 1.00 0.00 H ATOM 257 H ARG A 16 10.684 10.201 -17.739 1.00 0.00 H ATOM 258 N VAL A 17 10.950 11.005 -13.865 1.00 0.00 N ATOM 259 CA VAL A 17 9.982 11.323 -12.817 1.00 0.00 C ATOM 260 C VAL A 17 10.566 12.321 -11.822 1.00 0.00 C ATOM 261 O VAL A 17 11.470 11.989 -11.054 1.00 0.00 O ATOM 262 CB VAL A 17 9.533 10.058 -12.052 1.00 0.00 C ATOM 263 CG1 VAL A 17 8.373 10.376 -11.121 1.00 0.00 C ATOM 264 CG2 VAL A 17 9.152 8.947 -13.020 1.00 0.00 C ATOM 265 HA VAL A 17 9.115 11.762 -13.311 1.00 0.00 H ATOM 266 HB VAL A 17 10.372 9.712 -11.449 1.00 0.00 H ATOM 267 HG11 VAL A 17 8.684 11.132 -10.400 1.00 0.00 H ATOM 268 HG12 VAL A 17 7.533 10.752 -11.705 1.00 0.00 H ATOM 269 HG13 VAL A 17 8.074 9.471 -10.593 1.00 0.00 H ATOM 270 HG21 VAL A 17 8.332 9.284 -13.654 1.00 0.00 H ATOM 271 HG22 VAL A 17 10.013 8.696 -13.640 1.00 0.00 H ATOM 272 HG23 VAL A 17 8.840 8.068 -12.457 1.00 0.00 H ATOM 273 H VAL A 17 11.792 10.445 -13.623 1.00 0.00 H ATOM 274 N GLU A 18 10.046 13.543 -11.840 1.00 0.00 N ATOM 275 CA GLU A 18 10.518 14.587 -10.939 1.00 0.00 C ATOM 276 C GLU A 18 9.747 14.560 -9.624 1.00 0.00 C ATOM 277 O GLU A 18 8.517 14.555 -9.615 1.00 0.00 O ATOM 278 CB GLU A 18 10.381 15.960 -11.599 1.00 0.00 C ATOM 279 CG GLU A 18 11.490 16.267 -12.589 1.00 0.00 C ATOM 280 CD GLU A 18 11.258 15.623 -13.942 1.00 0.00 C ATOM 281 OE1 GLU A 18 11.466 14.398 -14.059 1.00 0.00 O ATOM 282 OE2 GLU A 18 10.869 16.345 -14.884 1.00 0.00 O ATOM 283 HA GLU A 18 11.570 14.400 -10.725 1.00 0.00 H ATOM 284 HB2 GLU A 18 9.427 15.997 -12.126 1.00 0.00 H ATOM 285 HB3 GLU A 18 10.393 16.721 -10.819 1.00 0.00 H ATOM 286 HG2 GLU A 18 11.551 17.347 -12.722 1.00 0.00 H ATOM 287 HG3 GLU A 18 12.432 15.899 -12.184 1.00 0.00 H ATOM 288 H GLU A 18 9.284 13.760 -12.513 1.00 0.00 H ATOM 289 N LYS A 19 10.481 14.538 -8.517 1.00 0.00 N ATOM 290 CA LYS A 19 9.868 14.507 -7.196 1.00 0.00 C ATOM 291 C LYS A 19 9.422 15.900 -6.770 1.00 0.00 C ATOM 292 O LYS A 19 10.242 16.797 -6.577 1.00 0.00 O ATOM 293 CB LYS A 19 10.848 13.930 -6.171 1.00 0.00 C ATOM 294 CG LYS A 19 10.752 12.419 -6.037 1.00 0.00 C ATOM 295 CD LYS A 19 11.156 11.952 -4.646 1.00 0.00 C ATOM 296 CE LYS A 19 12.605 11.490 -4.610 1.00 0.00 C ATOM 297 NZ LYS A 19 13.188 11.598 -3.244 1.00 0.00 N ATOM 298 HA LYS A 19 8.987 13.866 -7.244 1.00 0.00 H ATOM 299 HB2 LYS A 19 11.862 14.187 -6.477 1.00 0.00 H ATOM 300 HB3 LYS A 19 10.638 14.378 -5.200 1.00 0.00 H ATOM 301 HG2 LYS A 19 9.724 12.111 -6.229 1.00 0.00 H ATOM 302 HG3 LYS A 19 11.411 11.956 -6.771 1.00 0.00 H ATOM 303 HD2 LYS A 19 11.030 12.777 -3.945 1.00 0.00 H ATOM 304 HD3 LYS A 19 10.513 11.123 -4.350 1.00 0.00 H ATOM 305 HE2 LYS A 19 13.189 12.107 -5.293 1.00 0.00 H ATOM 306 HE3 LYS A 19 12.652 10.450 -4.932 1.00 0.00 H ATOM 307 HZ1 LYS A 19 13.154 12.589 -2.931 1.00 0.00 H ATOM 308 HZ2 LYS A 19 12.640 11.006 -2.587 1.00 0.00 H ATOM 309 HZ3 LYS A 19 14.176 11.273 -3.263 1.00 0.00 H ATOM 310 H LYS A 19 11.518 14.543 -8.595 1.00 0.00 H ATOM 311 N ASP A 20 8.113 16.071 -6.624 1.00 0.00 N ATOM 312 CA ASP A 20 7.546 17.350 -6.217 1.00 0.00 C ATOM 313 C ASP A 20 6.073 17.186 -5.817 1.00 0.00 C ATOM 314 O ASP A 20 5.192 17.320 -6.666 1.00 0.00 O ATOM 315 CB ASP A 20 7.669 18.370 -7.353 1.00 0.00 C ATOM 316 CG ASP A 20 7.441 19.792 -6.879 1.00 0.00 C ATOM 317 OD1 ASP A 20 6.323 20.088 -6.406 1.00 0.00 O ATOM 318 OD2 ASP A 20 8.379 20.609 -6.978 1.00 0.00 O ATOM 319 HA ASP A 20 8.103 17.712 -5.353 1.00 0.00 H ATOM 320 HB2 ASP A 20 8.669 18.299 -7.781 1.00 0.00 H ATOM 321 HB3 ASP A 20 6.930 18.133 -8.118 1.00 0.00 H ATOM 322 H ASP A 20 7.475 15.270 -6.805 1.00 0.00 H ATOM 323 N PRO A 21 5.761 16.884 -4.525 1.00 0.00 N ATOM 324 CA PRO A 21 6.731 16.702 -3.429 1.00 0.00 C ATOM 325 C PRO A 21 7.394 15.319 -3.443 1.00 0.00 C ATOM 326 O PRO A 21 8.491 15.147 -2.910 1.00 0.00 O ATOM 327 CB PRO A 21 5.878 16.889 -2.152 1.00 0.00 C ATOM 328 CG PRO A 21 4.495 17.218 -2.622 1.00 0.00 C ATOM 329 CD PRO A 21 4.396 16.705 -4.029 1.00 0.00 C ATOM 330 HA PRO A 21 7.561 17.404 -3.507 1.00 0.00 H ATOM 331 HD3 PRO A 21 4.104 15.655 -4.047 1.00 0.00 H ATOM 332 HD2 PRO A 21 3.684 17.289 -4.613 1.00 0.00 H ATOM 333 HG3 PRO A 21 4.335 18.296 -2.601 1.00 0.00 H ATOM 334 HG2 PRO A 21 3.754 16.730 -1.989 1.00 0.00 H ATOM 335 HB2 PRO A 21 5.870 15.971 -1.564 1.00 0.00 H ATOM 336 HB3 PRO A 21 6.276 17.703 -1.547 1.00 0.00 H ATOM 337 N GLU A 22 6.725 14.336 -4.044 1.00 0.00 N ATOM 338 CA GLU A 22 7.260 12.976 -4.109 1.00 0.00 C ATOM 339 C GLU A 22 7.091 12.375 -5.504 1.00 0.00 C ATOM 340 O GLU A 22 6.616 13.041 -6.424 1.00 0.00 O ATOM 341 CB GLU A 22 6.564 12.093 -3.072 1.00 0.00 C ATOM 342 CG GLU A 22 6.751 12.582 -1.645 1.00 0.00 C ATOM 343 CD GLU A 22 8.148 12.322 -1.118 1.00 0.00 C ATOM 344 OE1 GLU A 22 8.602 11.160 -1.189 1.00 0.00 O ATOM 345 OE2 GLU A 22 8.789 13.279 -0.635 1.00 0.00 O ATOM 346 HA GLU A 22 8.327 13.023 -3.891 1.00 0.00 H ATOM 347 HB2 GLU A 22 5.497 12.073 -3.294 1.00 0.00 H ATOM 348 HB3 GLU A 22 6.969 11.084 -3.148 1.00 0.00 H ATOM 349 HG2 GLU A 22 6.561 13.655 -1.616 1.00 0.00 H ATOM 350 HG3 GLU A 22 6.034 12.069 -1.003 1.00 0.00 H ATOM 351 H GLU A 22 5.802 14.540 -4.477 1.00 0.00 H ATOM 352 N LEU A 23 7.488 11.112 -5.649 1.00 0.00 N ATOM 353 CA LEU A 23 7.388 10.415 -6.928 1.00 0.00 C ATOM 354 C LEU A 23 5.929 10.272 -7.362 1.00 0.00 C ATOM 355 O LEU A 23 5.543 10.769 -8.419 1.00 0.00 O ATOM 356 CB LEU A 23 8.049 9.037 -6.833 1.00 0.00 C ATOM 357 CG LEU A 23 9.584 9.073 -6.710 1.00 0.00 C ATOM 358 CD1 LEU A 23 10.023 8.817 -5.275 1.00 0.00 C ATOM 359 CD2 LEU A 23 10.241 8.062 -7.645 1.00 0.00 C ATOM 360 HA LEU A 23 7.910 11.008 -7.679 1.00 0.00 H ATOM 361 HB2 LEU A 23 7.649 8.527 -5.957 1.00 0.00 H ATOM 362 HB3 LEU A 23 7.792 8.473 -7.730 1.00 0.00 H ATOM 363 HG LEU A 23 9.909 10.072 -7.002 1.00 0.00 H ATOM 364 HD21 LEU A 23 9.897 7.059 -7.393 1.00 0.00 H ATOM 365 HD22 LEU A 23 9.970 8.293 -8.675 1.00 0.00 H ATOM 366 HD23 LEU A 23 11.324 8.115 -7.532 1.00 0.00 H ATOM 367 HD11 LEU A 23 9.602 9.584 -4.625 1.00 0.00 H ATOM 368 HD12 LEU A 23 9.669 7.836 -4.958 1.00 0.00 H ATOM 369 HD13 LEU A 23 11.111 8.848 -5.218 1.00 0.00 H ATOM 370 H LEU A 23 7.880 10.608 -4.828 1.00 0.00 H ATOM 371 N GLY A 24 5.122 9.613 -6.531 1.00 0.00 N ATOM 372 CA GLY A 24 3.714 9.438 -6.842 1.00 0.00 C ATOM 373 C GLY A 24 3.355 8.021 -7.261 1.00 0.00 C ATOM 374 O GLY A 24 2.434 7.823 -8.053 1.00 0.00 O ATOM 375 HA3 GLY A 24 3.454 10.115 -7.656 1.00 0.00 H ATOM 376 HA2 GLY A 24 3.131 9.694 -5.957 1.00 0.00 H ATOM 377 H GLY A 24 5.505 9.219 -5.648 1.00 0.00 H ATOM 378 N PHE A 25 4.069 7.032 -6.727 1.00 0.00 N ATOM 379 CA PHE A 25 3.794 5.634 -7.057 1.00 0.00 C ATOM 380 C PHE A 25 4.423 4.690 -6.034 1.00 0.00 C ATOM 381 O PHE A 25 5.394 5.042 -5.362 1.00 0.00 O ATOM 382 CB PHE A 25 4.294 5.303 -8.466 1.00 0.00 C ATOM 383 CG PHE A 25 5.787 5.397 -8.626 1.00 0.00 C ATOM 384 CD1 PHE A 25 6.610 4.375 -8.185 1.00 0.00 C ATOM 385 CD2 PHE A 25 6.364 6.506 -9.226 1.00 0.00 C ATOM 386 CE1 PHE A 25 7.981 4.455 -8.337 1.00 0.00 C ATOM 387 CE2 PHE A 25 7.734 6.591 -9.381 1.00 0.00 C ATOM 388 CZ PHE A 25 8.544 5.565 -8.936 1.00 0.00 C ATOM 389 HA PHE A 25 2.714 5.492 -7.028 1.00 0.00 H ATOM 390 HB2 PHE A 25 3.987 4.286 -8.708 1.00 0.00 H ATOM 391 HB3 PHE A 25 3.830 5.998 -9.166 1.00 0.00 H ATOM 392 HD2 PHE A 25 5.730 7.319 -9.579 1.00 0.00 H ATOM 393 HE2 PHE A 25 8.176 7.468 -9.855 1.00 0.00 H ATOM 394 HZ PHE A 25 9.625 5.631 -9.057 1.00 0.00 H ATOM 395 HE1 PHE A 25 8.617 3.643 -7.985 1.00 0.00 H ATOM 396 HD1 PHE A 25 6.171 3.496 -7.712 1.00 0.00 H ATOM 397 H PHE A 25 4.837 7.258 -6.063 1.00 0.00 H ATOM 398 N SER A 26 3.855 3.491 -5.916 1.00 0.00 N ATOM 399 CA SER A 26 4.346 2.491 -4.970 1.00 0.00 C ATOM 400 C SER A 26 5.050 1.342 -5.689 1.00 0.00 C ATOM 401 O SER A 26 4.745 1.040 -6.844 1.00 0.00 O ATOM 402 CB SER A 26 3.187 1.943 -4.137 1.00 0.00 C ATOM 403 OG SER A 26 2.028 1.760 -4.933 1.00 0.00 O ATOM 404 HA SER A 26 5.069 2.978 -4.316 1.00 0.00 H ATOM 405 HB2 SER A 26 2.961 2.646 -3.335 1.00 0.00 H ATOM 406 HB3 SER A 26 3.479 0.985 -3.707 1.00 0.00 H ATOM 407 HG SER A 26 1.295 1.405 -4.370 1.00 0.00 H ATOM 408 H SER A 26 3.037 3.259 -6.515 1.00 0.00 H ATOM 409 N ILE A 27 5.983 0.700 -4.991 1.00 0.00 N ATOM 410 CA ILE A 27 6.726 -0.428 -5.549 1.00 0.00 C ATOM 411 C ILE A 27 6.510 -1.683 -4.708 1.00 0.00 C ATOM 412 O ILE A 27 6.312 -1.599 -3.496 1.00 0.00 O ATOM 413 CB ILE A 27 8.240 -0.128 -5.630 1.00 0.00 C ATOM 414 CG1 ILE A 27 8.798 0.222 -4.248 1.00 0.00 C ATOM 415 CG2 ILE A 27 8.508 1.002 -6.612 1.00 0.00 C ATOM 416 CD1 ILE A 27 10.310 0.263 -4.205 1.00 0.00 C ATOM 417 HA ILE A 27 6.348 -0.593 -6.558 1.00 0.00 H ATOM 418 HB ILE A 27 8.746 -1.025 -5.987 1.00 0.00 H ATOM 419 HG12 ILE A 27 8.417 1.201 -3.959 1.00 0.00 H ATOM 420 HG13 ILE A 27 8.452 -0.526 -3.535 1.00 0.00 H ATOM 421 HD11 ILE A 27 10.707 -0.714 -4.482 1.00 0.00 H ATOM 422 HD12 ILE A 27 10.672 1.015 -4.906 1.00 0.00 H ATOM 423 HD13 ILE A 27 10.637 0.517 -3.197 1.00 0.00 H ATOM 424 HG21 ILE A 27 8.150 0.715 -7.601 1.00 0.00 H ATOM 425 HG22 ILE A 27 7.986 1.900 -6.282 1.00 0.00 H ATOM 426 HG23 ILE A 27 9.579 1.198 -6.655 1.00 0.00 H ATOM 427 H ILE A 27 6.190 1.010 -4.020 1.00 0.00 H ATOM 428 N SER A 28 6.544 -2.843 -5.353 1.00 0.00 N ATOM 429 CA SER A 28 6.346 -4.108 -4.654 1.00 0.00 C ATOM 430 C SER A 28 7.304 -5.175 -5.171 1.00 0.00 C ATOM 431 O SER A 28 7.952 -4.996 -6.203 1.00 0.00 O ATOM 432 CB SER A 28 4.903 -4.585 -4.817 1.00 0.00 C ATOM 433 OG SER A 28 4.669 -5.772 -4.079 1.00 0.00 O ATOM 434 HA SER A 28 6.552 -3.942 -3.596 1.00 0.00 H ATOM 435 HB2 SER A 28 4.709 -4.778 -5.872 1.00 0.00 H ATOM 436 HB3 SER A 28 4.228 -3.806 -4.461 1.00 0.00 H ATOM 437 HG SER A 28 5.276 -6.485 -4.401 1.00 0.00 H ATOM 438 H SER A 28 6.715 -2.850 -6.379 1.00 0.00 H ATOM 439 N GLY A 29 7.390 -6.285 -4.442 1.00 0.00 N ATOM 440 CA GLY A 29 8.269 -7.370 -4.835 1.00 0.00 C ATOM 441 C GLY A 29 9.614 -7.303 -4.141 1.00 0.00 C ATOM 442 O GLY A 29 9.703 -6.874 -2.989 1.00 0.00 O ATOM 443 HA3 GLY A 29 8.428 -7.320 -5.912 1.00 0.00 H ATOM 444 HA2 GLY A 29 7.791 -8.317 -4.583 1.00 0.00 H ATOM 445 H GLY A 29 6.819 -6.376 -3.578 1.00 0.00 H ATOM 446 N GLY A 30 10.661 -7.729 -4.843 1.00 0.00 N ATOM 447 CA GLY A 30 11.997 -7.709 -4.274 1.00 0.00 C ATOM 448 C GLY A 30 12.445 -9.078 -3.796 1.00 0.00 C ATOM 449 O GLY A 30 11.620 -9.926 -3.456 1.00 0.00 O ATOM 450 HA3 GLY A 30 12.007 -7.022 -3.428 1.00 0.00 H ATOM 451 HA2 GLY A 30 12.696 -7.358 -5.033 1.00 0.00 H ATOM 452 H GLY A 30 10.521 -8.081 -5.812 1.00 0.00 H ATOM 453 N VAL A 31 13.758 -9.296 -3.781 1.00 0.00 N ATOM 454 CA VAL A 31 14.319 -10.569 -3.347 1.00 0.00 C ATOM 455 C VAL A 31 14.355 -10.660 -1.825 1.00 0.00 C ATOM 456 O VAL A 31 15.275 -10.151 -1.182 1.00 0.00 O ATOM 457 CB VAL A 31 15.746 -10.763 -3.905 1.00 0.00 C ATOM 458 CG1 VAL A 31 16.276 -12.153 -3.593 1.00 0.00 C ATOM 459 CG2 VAL A 31 15.774 -10.518 -5.405 1.00 0.00 C ATOM 460 HA VAL A 31 13.674 -11.358 -3.735 1.00 0.00 H ATOM 461 HB VAL A 31 16.393 -10.034 -3.417 1.00 0.00 H ATOM 462 HG11 VAL A 31 16.303 -12.296 -2.513 1.00 0.00 H ATOM 463 HG12 VAL A 31 15.622 -12.899 -4.044 1.00 0.00 H ATOM 464 HG13 VAL A 31 17.282 -12.257 -3.999 1.00 0.00 H ATOM 465 HG21 VAL A 31 15.103 -11.221 -5.899 1.00 0.00 H ATOM 466 HG22 VAL A 31 15.450 -9.498 -5.611 1.00 0.00 H ATOM 467 HG23 VAL A 31 16.789 -10.660 -5.776 1.00 0.00 H ATOM 468 H VAL A 31 14.401 -8.538 -4.087 1.00 0.00 H ATOM 469 N GLY A 32 13.344 -11.312 -1.254 1.00 0.00 N ATOM 470 CA GLY A 32 13.269 -11.460 0.190 1.00 0.00 C ATOM 471 C GLY A 32 12.340 -10.452 0.870 1.00 0.00 C ATOM 472 O GLY A 32 12.160 -10.513 2.087 1.00 0.00 O ATOM 473 HA3 GLY A 32 14.271 -11.335 0.600 1.00 0.00 H ATOM 474 HA2 GLY A 32 12.909 -12.464 0.414 1.00 0.00 H ATOM 475 H GLY A 32 12.597 -11.722 -1.850 1.00 0.00 H ATOM 476 N GLY A 33 11.751 -9.526 0.101 1.00 0.00 N ATOM 477 CA GLY A 33 10.860 -8.534 0.684 1.00 0.00 C ATOM 478 C GLY A 33 9.475 -9.078 0.974 1.00 0.00 C ATOM 479 O GLY A 33 9.296 -10.282 1.156 1.00 0.00 O ATOM 480 HA3 GLY A 33 10.767 -7.699 -0.011 1.00 0.00 H ATOM 481 HA2 GLY A 33 11.297 -8.181 1.618 1.00 0.00 H ATOM 482 H GLY A 33 11.933 -9.516 -0.923 1.00 0.00 H ATOM 483 N ARG A 34 8.494 -8.181 1.022 1.00 0.00 N ATOM 484 CA ARG A 34 7.113 -8.565 1.298 1.00 0.00 C ATOM 485 C ARG A 34 6.571 -9.504 0.221 1.00 0.00 C ATOM 486 O ARG A 34 5.704 -10.333 0.494 1.00 0.00 O ATOM 487 CB ARG A 34 6.227 -7.321 1.398 1.00 0.00 C ATOM 488 CG ARG A 34 6.725 -6.304 2.422 1.00 0.00 C ATOM 489 CD ARG A 34 7.303 -5.057 1.762 1.00 0.00 C ATOM 490 NE ARG A 34 7.565 -3.992 2.733 1.00 0.00 N ATOM 491 CZ ARG A 34 6.643 -3.132 3.175 1.00 0.00 C ATOM 492 NH1 ARG A 34 5.384 -3.197 2.750 1.00 0.00 N ATOM 493 NH2 ARG A 34 6.984 -2.199 4.053 1.00 0.00 N ATOM 494 HA ARG A 34 7.099 -9.095 2.250 1.00 0.00 H ATOM 495 HB2 ARG A 34 6.194 -6.840 0.420 1.00 0.00 H ATOM 496 HB3 ARG A 34 5.222 -7.634 1.682 1.00 0.00 H ATOM 497 HG2 ARG A 34 5.891 -6.010 3.059 1.00 0.00 H ATOM 498 HG3 ARG A 34 7.499 -6.770 3.032 1.00 0.00 H ATOM 499 HD2 ARG A 34 6.593 -4.690 1.020 1.00 0.00 H ATOM 500 HD3 ARG A 34 8.238 -5.321 1.269 1.00 0.00 H ATOM 501 HE ARG A 34 8.533 -3.899 3.103 1.00 0.00 H ATOM 502 HH12 ARG A 34 4.680 -2.519 3.105 1.00 0.00 H ATOM 503 HH11 ARG A 34 5.104 -3.926 2.063 1.00 0.00 H ATOM 504 HH22 ARG A 34 6.271 -1.527 4.401 1.00 0.00 H ATOM 505 HH21 ARG A 34 7.965 -2.139 4.394 1.00 0.00 H ATOM 506 H ARG A 34 8.717 -7.178 0.858 1.00 0.00 H ATOM 507 N GLY A 35 7.081 -9.365 -1.002 1.00 0.00 N ATOM 508 CA GLY A 35 6.630 -10.206 -2.102 1.00 0.00 C ATOM 509 C GLY A 35 5.775 -9.449 -3.103 1.00 0.00 C ATOM 510 O GLY A 35 5.132 -8.459 -2.755 1.00 0.00 O ATOM 511 HA3 GLY A 35 6.044 -11.030 -1.695 1.00 0.00 H ATOM 512 HA2 GLY A 35 7.503 -10.604 -2.619 1.00 0.00 H ATOM 513 H GLY A 35 7.812 -8.645 -1.174 1.00 0.00 H ATOM 514 N ASN A 36 5.768 -9.921 -4.350 1.00 0.00 N ATOM 515 CA ASN A 36 4.982 -9.287 -5.416 1.00 0.00 C ATOM 516 C ASN A 36 3.836 -10.202 -5.864 1.00 0.00 C ATOM 517 O ASN A 36 4.064 -11.378 -6.143 1.00 0.00 O ATOM 518 CB ASN A 36 5.873 -8.942 -6.628 1.00 0.00 C ATOM 519 CG ASN A 36 6.933 -9.995 -6.936 1.00 0.00 C ATOM 520 OD1 ASN A 36 8.131 -9.718 -6.881 1.00 0.00 O ATOM 521 ND2 ASN A 36 6.497 -11.205 -7.270 1.00 0.00 N ATOM 522 HA ASN A 36 4.563 -8.365 -5.013 1.00 0.00 H ATOM 523 HB2 ASN A 36 5.234 -8.832 -7.504 1.00 0.00 H ATOM 524 HB3 ASN A 36 6.377 -7.997 -6.426 1.00 0.00 H ATOM 525 HD22 ASN A 36 5.476 -11.398 -7.305 1.00 0.00 H ATOM 526 HD21 ASN A 36 7.177 -11.959 -7.497 1.00 0.00 H ATOM 527 H ASN A 36 6.336 -10.763 -4.574 1.00 0.00 H ATOM 528 N PRO A 37 2.579 -9.696 -5.937 1.00 0.00 N ATOM 529 CA PRO A 37 1.435 -10.503 -6.348 1.00 0.00 C ATOM 530 C PRO A 37 1.146 -10.416 -7.848 1.00 0.00 C ATOM 531 O PRO A 37 -0.012 -10.454 -8.265 1.00 0.00 O ATOM 532 CB PRO A 37 0.300 -9.878 -5.546 1.00 0.00 C ATOM 533 CG PRO A 37 0.649 -8.426 -5.455 1.00 0.00 C ATOM 534 CD PRO A 37 2.154 -8.315 -5.622 1.00 0.00 C ATOM 535 HA PRO A 37 1.591 -11.567 -6.168 1.00 0.00 H ATOM 536 HD3 PRO A 37 2.405 -7.636 -6.437 1.00 0.00 H ATOM 537 HD2 PRO A 37 2.622 -7.965 -4.702 1.00 0.00 H ATOM 538 HG3 PRO A 37 0.350 -8.030 -4.484 1.00 0.00 H ATOM 539 HG2 PRO A 37 0.143 -7.870 -6.244 1.00 0.00 H ATOM 540 HB2 PRO A 37 -0.652 -10.013 -6.059 1.00 0.00 H ATOM 541 HB3 PRO A 37 0.242 -10.322 -4.552 1.00 0.00 H ATOM 542 N PHE A 38 2.200 -10.301 -8.653 1.00 0.00 N ATOM 543 CA PHE A 38 2.053 -10.212 -10.106 1.00 0.00 C ATOM 544 C PHE A 38 2.696 -11.415 -10.795 1.00 0.00 C ATOM 545 O PHE A 38 2.081 -12.055 -11.648 1.00 0.00 O ATOM 546 CB PHE A 38 2.683 -8.918 -10.626 1.00 0.00 C ATOM 547 CG PHE A 38 1.875 -7.689 -10.318 1.00 0.00 C ATOM 548 CD1 PHE A 38 2.040 -7.022 -9.113 1.00 0.00 C ATOM 549 CD2 PHE A 38 0.954 -7.200 -11.230 1.00 0.00 C ATOM 550 CE1 PHE A 38 1.300 -5.891 -8.826 1.00 0.00 C ATOM 551 CE2 PHE A 38 0.210 -6.068 -10.948 1.00 0.00 C ATOM 552 CZ PHE A 38 0.384 -5.414 -9.743 1.00 0.00 C ATOM 553 HA PHE A 38 0.988 -10.209 -10.337 1.00 0.00 H ATOM 554 HB2 PHE A 38 3.667 -8.807 -10.171 1.00 0.00 H ATOM 555 HB3 PHE A 38 2.791 -8.998 -11.708 1.00 0.00 H ATOM 556 HD2 PHE A 38 0.814 -7.713 -12.181 1.00 0.00 H ATOM 557 HE2 PHE A 38 -0.511 -5.693 -11.674 1.00 0.00 H ATOM 558 HZ PHE A 38 -0.201 -4.523 -9.517 1.00 0.00 H ATOM 559 HE1 PHE A 38 1.439 -5.375 -7.876 1.00 0.00 H ATOM 560 HD1 PHE A 38 2.761 -7.394 -8.385 1.00 0.00 H ATOM 561 H PHE A 38 3.153 -10.274 -8.238 1.00 0.00 H ATOM 562 N ARG A 39 3.937 -11.716 -10.417 1.00 0.00 N ATOM 563 CA ARG A 39 4.669 -12.845 -10.996 1.00 0.00 C ATOM 564 C ARG A 39 4.976 -13.901 -9.927 1.00 0.00 C ATOM 565 O ARG A 39 5.333 -13.552 -8.802 1.00 0.00 O ATOM 566 CB ARG A 39 5.969 -12.354 -11.635 1.00 0.00 C ATOM 567 CG ARG A 39 5.769 -11.196 -12.601 1.00 0.00 C ATOM 568 CD ARG A 39 4.873 -11.588 -13.768 1.00 0.00 C ATOM 569 NE ARG A 39 4.605 -10.457 -14.657 1.00 0.00 N ATOM 570 CZ ARG A 39 3.565 -10.386 -15.495 1.00 0.00 C ATOM 571 NH1 ARG A 39 2.679 -11.378 -15.573 1.00 0.00 N ATOM 572 NH2 ARG A 39 3.410 -9.316 -16.261 1.00 0.00 N ATOM 573 HA ARG A 39 4.044 -13.303 -11.762 1.00 0.00 H ATOM 574 HB2 ARG A 39 6.643 -12.030 -10.842 1.00 0.00 H ATOM 575 HB3 ARG A 39 6.422 -13.183 -12.179 1.00 0.00 H ATOM 576 HG2 ARG A 39 5.310 -10.364 -12.066 1.00 0.00 H ATOM 577 HG3 ARG A 39 6.740 -10.886 -12.988 1.00 0.00 H ATOM 578 HD2 ARG A 39 3.926 -11.960 -13.376 1.00 0.00 H ATOM 579 HD3 ARG A 39 5.363 -12.377 -14.339 1.00 0.00 H ATOM 580 HE ARG A 39 5.267 -9.655 -14.636 1.00 0.00 H ATOM 581 HH12 ARG A 39 1.876 -11.307 -16.230 1.00 0.00 H ATOM 582 HH11 ARG A 39 2.791 -12.223 -14.977 1.00 0.00 H ATOM 583 HH22 ARG A 39 2.603 -9.257 -16.914 1.00 0.00 H ATOM 584 HH21 ARG A 39 4.096 -8.536 -16.209 1.00 0.00 H ATOM 585 H ARG A 39 4.399 -11.133 -9.690 1.00 0.00 H ATOM 586 N PRO A 40 4.841 -15.213 -10.248 1.00 0.00 N ATOM 587 CA PRO A 40 5.108 -16.278 -9.282 1.00 0.00 C ATOM 588 C PRO A 40 6.590 -16.642 -9.191 1.00 0.00 C ATOM 589 O PRO A 40 7.125 -16.816 -8.096 1.00 0.00 O ATOM 590 CB PRO A 40 4.302 -17.449 -9.837 1.00 0.00 C ATOM 591 CG PRO A 40 4.326 -17.256 -11.316 1.00 0.00 C ATOM 592 CD PRO A 40 4.412 -15.766 -11.557 1.00 0.00 C ATOM 593 HA PRO A 40 4.836 -15.987 -8.268 1.00 0.00 H ATOM 594 HD3 PRO A 40 5.145 -15.540 -12.332 1.00 0.00 H ATOM 595 HD2 PRO A 40 3.442 -15.364 -11.848 1.00 0.00 H ATOM 596 HG3 PRO A 40 3.416 -17.657 -11.763 1.00 0.00 H ATOM 597 HG2 PRO A 40 5.193 -17.757 -11.747 1.00 0.00 H ATOM 598 HB2 PRO A 40 4.764 -18.398 -9.565 1.00 0.00 H ATOM 599 HB3 PRO A 40 3.279 -17.424 -9.462 1.00 0.00 H ATOM 600 N ASP A 41 7.243 -16.764 -10.344 1.00 0.00 N ATOM 601 CA ASP A 41 8.660 -17.118 -10.390 1.00 0.00 C ATOM 602 C ASP A 41 9.582 -15.886 -10.409 1.00 0.00 C ATOM 603 O ASP A 41 10.799 -16.033 -10.291 1.00 0.00 O ATOM 604 CB ASP A 41 8.935 -17.983 -11.619 1.00 0.00 C ATOM 605 CG ASP A 41 8.327 -19.367 -11.504 1.00 0.00 C ATOM 606 OD1 ASP A 41 8.933 -20.228 -10.832 1.00 0.00 O ATOM 607 OD2 ASP A 41 7.243 -19.589 -12.085 1.00 0.00 O ATOM 608 HA ASP A 41 8.881 -17.672 -9.478 1.00 0.00 H ATOM 609 HB2 ASP A 41 8.516 -17.489 -12.495 1.00 0.00 H ATOM 610 HB3 ASP A 41 10.013 -18.084 -11.741 1.00 0.00 H ATOM 611 H ASP A 41 6.732 -16.603 -11.235 1.00 0.00 H ATOM 612 N ASP A 42 9.020 -14.681 -10.559 1.00 0.00 N ATOM 613 CA ASP A 42 9.831 -13.461 -10.590 1.00 0.00 C ATOM 614 C ASP A 42 9.645 -12.651 -9.309 1.00 0.00 C ATOM 615 O ASP A 42 8.524 -12.286 -8.953 1.00 0.00 O ATOM 616 CB ASP A 42 9.464 -12.606 -11.806 1.00 0.00 C ATOM 617 CG ASP A 42 10.575 -11.649 -12.193 1.00 0.00 C ATOM 618 OD1 ASP A 42 10.929 -10.785 -11.363 1.00 0.00 O ATOM 619 OD2 ASP A 42 11.090 -11.764 -13.325 1.00 0.00 O ATOM 620 HA ASP A 42 10.878 -13.754 -10.665 1.00 0.00 H ATOM 621 HB2 ASP A 42 9.259 -13.265 -12.649 1.00 0.00 H ATOM 622 HB3 ASP A 42 8.569 -12.029 -11.572 1.00 0.00 H ATOM 623 H ASP A 42 7.987 -14.609 -10.656 1.00 0.00 H ATOM 624 N ASP A 43 10.749 -12.382 -8.617 1.00 0.00 N ATOM 625 CA ASP A 43 10.711 -11.621 -7.368 1.00 0.00 C ATOM 626 C ASP A 43 11.337 -10.237 -7.548 1.00 0.00 C ATOM 627 O ASP A 43 11.970 -9.708 -6.634 1.00 0.00 O ATOM 628 CB ASP A 43 11.445 -12.388 -6.265 1.00 0.00 C ATOM 629 CG ASP A 43 12.857 -12.766 -6.667 1.00 0.00 C ATOM 630 OD1 ASP A 43 13.482 -11.999 -7.429 1.00 0.00 O ATOM 631 OD2 ASP A 43 13.336 -13.830 -6.222 1.00 0.00 O ATOM 632 HA ASP A 43 9.668 -11.488 -7.082 1.00 0.00 H ATOM 633 HB2 ASP A 43 11.490 -11.763 -5.373 1.00 0.00 H ATOM 634 HB3 ASP A 43 10.889 -13.298 -6.041 1.00 0.00 H ATOM 635 H ASP A 43 11.665 -12.722 -8.974 1.00 0.00 H ATOM 636 N GLY A 44 11.154 -9.656 -8.732 1.00 0.00 N ATOM 637 CA GLY A 44 11.706 -8.341 -9.012 1.00 0.00 C ATOM 638 C GLY A 44 10.877 -7.222 -8.406 1.00 0.00 C ATOM 639 O GLY A 44 10.114 -7.446 -7.469 1.00 0.00 O ATOM 640 HA3 GLY A 44 11.746 -8.201 -10.092 1.00 0.00 H ATOM 641 HA2 GLY A 44 12.715 -8.290 -8.602 1.00 0.00 H ATOM 642 H GLY A 44 10.608 -10.150 -9.467 1.00 0.00 H ATOM 643 N ILE A 45 11.023 -6.012 -8.950 1.00 0.00 N ATOM 644 CA ILE A 45 10.277 -4.854 -8.462 1.00 0.00 C ATOM 645 C ILE A 45 9.214 -4.437 -9.479 1.00 0.00 C ATOM 646 O ILE A 45 9.505 -4.308 -10.668 1.00 0.00 O ATOM 647 CB ILE A 45 11.204 -3.648 -8.186 1.00 0.00 C ATOM 648 CG1 ILE A 45 12.452 -4.081 -7.409 1.00 0.00 C ATOM 649 CG2 ILE A 45 10.451 -2.571 -7.420 1.00 0.00 C ATOM 650 CD1 ILE A 45 12.144 -4.671 -6.052 1.00 0.00 C ATOM 651 HA ILE A 45 9.804 -5.151 -7.526 1.00 0.00 H ATOM 652 HB ILE A 45 11.527 -3.240 -9.144 1.00 0.00 H ATOM 653 HG12 ILE A 45 12.983 -4.829 -7.998 1.00 0.00 H ATOM 654 HG13 ILE A 45 13.091 -3.209 -7.269 1.00 0.00 H ATOM 655 HD11 ILE A 45 11.622 -3.931 -5.445 1.00 0.00 H ATOM 656 HD12 ILE A 45 11.514 -5.552 -6.175 1.00 0.00 H ATOM 657 HD13 ILE A 45 13.075 -4.954 -5.561 1.00 0.00 H ATOM 658 HG21 ILE A 45 9.597 -2.238 -8.009 1.00 0.00 H ATOM 659 HG22 ILE A 45 10.102 -2.978 -6.471 1.00 0.00 H ATOM 660 HG23 ILE A 45 11.116 -1.728 -7.233 1.00 0.00 H ATOM 661 H ILE A 45 11.685 -5.890 -9.742 1.00 0.00 H ATOM 662 N PHE A 46 7.979 -4.239 -9.012 1.00 0.00 N ATOM 663 CA PHE A 46 6.881 -3.851 -9.898 1.00 0.00 C ATOM 664 C PHE A 46 6.114 -2.649 -9.348 1.00 0.00 C ATOM 665 O PHE A 46 5.963 -2.497 -8.136 1.00 0.00 O ATOM 666 CB PHE A 46 5.921 -5.025 -10.084 1.00 0.00 C ATOM 667 CG PHE A 46 6.566 -6.239 -10.690 1.00 0.00 C ATOM 668 CD1 PHE A 46 7.265 -7.137 -9.900 1.00 0.00 C ATOM 669 CD2 PHE A 46 6.470 -6.481 -12.051 1.00 0.00 C ATOM 670 CE1 PHE A 46 7.855 -8.256 -10.456 1.00 0.00 C ATOM 671 CE2 PHE A 46 7.059 -7.597 -12.613 1.00 0.00 C ATOM 672 CZ PHE A 46 7.753 -8.486 -11.814 1.00 0.00 C ATOM 673 HA PHE A 46 7.313 -3.570 -10.858 1.00 0.00 H ATOM 674 HB2 PHE A 46 5.518 -5.299 -9.109 1.00 0.00 H ATOM 675 HB3 PHE A 46 5.107 -4.705 -10.735 1.00 0.00 H ATOM 676 HD2 PHE A 46 5.924 -5.783 -12.685 1.00 0.00 H ATOM 677 HE2 PHE A 46 6.977 -7.776 -13.685 1.00 0.00 H ATOM 678 HZ PHE A 46 8.219 -9.367 -12.255 1.00 0.00 H ATOM 679 HE1 PHE A 46 8.400 -8.956 -9.823 1.00 0.00 H ATOM 680 HD1 PHE A 46 7.351 -6.959 -8.828 1.00 0.00 H ATOM 681 H PHE A 46 7.793 -4.363 -7.996 1.00 0.00 H ATOM 682 N VAL A 47 5.620 -1.804 -10.252 1.00 0.00 N ATOM 683 CA VAL A 47 4.858 -0.616 -9.864 1.00 0.00 C ATOM 684 C VAL A 47 3.361 -0.937 -9.779 1.00 0.00 C ATOM 685 O VAL A 47 2.581 -0.570 -10.658 1.00 0.00 O ATOM 686 CB VAL A 47 5.088 0.543 -10.861 1.00 0.00 C ATOM 687 CG1 VAL A 47 4.448 1.824 -10.355 1.00 0.00 C ATOM 688 CG2 VAL A 47 6.578 0.751 -11.111 1.00 0.00 C ATOM 689 HA VAL A 47 5.211 -0.304 -8.881 1.00 0.00 H ATOM 690 HB VAL A 47 4.616 0.276 -11.806 1.00 0.00 H ATOM 691 HG11 VAL A 47 3.376 1.670 -10.235 1.00 0.00 H ATOM 692 HG12 VAL A 47 4.887 2.093 -9.394 1.00 0.00 H ATOM 693 HG13 VAL A 47 4.623 2.625 -11.073 1.00 0.00 H ATOM 694 HG21 VAL A 47 7.073 0.991 -10.170 1.00 0.00 H ATOM 695 HG22 VAL A 47 7.006 -0.162 -11.526 1.00 0.00 H ATOM 696 HG23 VAL A 47 6.716 1.571 -11.815 1.00 0.00 H ATOM 697 H VAL A 47 5.780 -1.994 -11.262 1.00 0.00 H ATOM 698 N THR A 48 2.983 -1.659 -8.717 1.00 0.00 N ATOM 699 CA THR A 48 1.590 -2.101 -8.471 1.00 0.00 C ATOM 700 C THR A 48 0.505 -1.107 -8.935 1.00 0.00 C ATOM 701 O THR A 48 -0.398 -1.487 -9.683 1.00 0.00 O ATOM 702 CB THR A 48 1.397 -2.406 -6.984 1.00 0.00 C ATOM 703 OG1 THR A 48 0.042 -2.708 -6.706 1.00 0.00 O ATOM 704 CG2 THR A 48 1.805 -1.265 -6.079 1.00 0.00 C ATOM 705 HA THR A 48 1.457 -2.996 -9.079 1.00 0.00 H ATOM 706 HB THR A 48 2.044 -3.259 -6.780 1.00 0.00 H ATOM 707 HG1 THR A 48 -0.060 -2.902 -5.741 1.00 0.00 H ATOM 708 HG23 THR A 48 2.847 -1.007 -6.269 1.00 0.00 H ATOM 709 HG21 THR A 48 1.173 -0.400 -6.280 1.00 0.00 H ATOM 710 HG22 THR A 48 1.688 -1.568 -5.039 1.00 0.00 H ATOM 711 H THR A 48 3.710 -1.926 -8.023 1.00 0.00 H ATOM 712 N ARG A 49 0.574 0.148 -8.483 1.00 0.00 N ATOM 713 CA ARG A 49 -0.432 1.142 -8.869 1.00 0.00 C ATOM 714 C ARG A 49 0.063 2.573 -8.664 1.00 0.00 C ATOM 715 O ARG A 49 1.113 2.805 -8.064 1.00 0.00 O ATOM 716 CB ARG A 49 -1.719 0.926 -8.072 1.00 0.00 C ATOM 717 CG ARG A 49 -1.503 0.900 -6.568 1.00 0.00 C ATOM 718 CD ARG A 49 -2.825 0.898 -5.812 1.00 0.00 C ATOM 719 NE ARG A 49 -3.359 2.249 -5.639 1.00 0.00 N ATOM 720 CZ ARG A 49 -4.646 2.527 -5.403 1.00 0.00 C ATOM 721 NH1 ARG A 49 -5.550 1.555 -5.305 1.00 0.00 N ATOM 722 NH2 ARG A 49 -5.030 3.788 -5.264 1.00 0.00 N ATOM 723 HA ARG A 49 -0.627 1.006 -9.933 1.00 0.00 H ATOM 724 HB2 ARG A 49 -2.411 1.735 -8.308 1.00 0.00 H ATOM 725 HB3 ARG A 49 -2.157 -0.025 -8.375 1.00 0.00 H ATOM 726 HG2 ARG A 49 -0.944 0.002 -6.306 1.00 0.00 H ATOM 727 HG3 ARG A 49 -0.930 1.781 -6.277 1.00 0.00 H ATOM 728 HD2 ARG A 49 -2.668 0.453 -4.830 1.00 0.00 H ATOM 729 HD3 ARG A 49 -3.548 0.302 -6.369 1.00 0.00 H ATOM 730 HE ARG A 49 -2.694 3.046 -5.704 1.00 0.00 H ATOM 731 HH12 ARG A 49 -6.547 1.788 -5.121 1.00 0.00 H ATOM 732 HH11 ARG A 49 -5.260 0.562 -5.412 1.00 0.00 H ATOM 733 HH22 ARG A 49 -6.029 4.010 -5.080 1.00 0.00 H ATOM 734 HH21 ARG A 49 -4.332 4.555 -5.339 1.00 0.00 H ATOM 735 H ARG A 49 1.351 0.423 -7.849 1.00 0.00 H ATOM 736 N VAL A 50 -0.718 3.527 -9.167 1.00 0.00 N ATOM 737 CA VAL A 50 -0.394 4.946 -9.049 1.00 0.00 C ATOM 738 C VAL A 50 -1.557 5.706 -8.407 1.00 0.00 C ATOM 739 O VAL A 50 -2.717 5.343 -8.598 1.00 0.00 O ATOM 740 CB VAL A 50 -0.085 5.571 -10.429 1.00 0.00 C ATOM 741 CG1 VAL A 50 0.451 6.987 -10.277 1.00 0.00 C ATOM 742 CG2 VAL A 50 0.902 4.708 -11.204 1.00 0.00 C ATOM 743 HA VAL A 50 0.493 5.026 -8.421 1.00 0.00 H ATOM 744 HB VAL A 50 -1.017 5.618 -10.992 1.00 0.00 H ATOM 745 HG11 VAL A 50 -0.292 7.603 -9.771 1.00 0.00 H ATOM 746 HG12 VAL A 50 1.368 6.966 -9.688 1.00 0.00 H ATOM 747 HG13 VAL A 50 0.660 7.403 -11.263 1.00 0.00 H ATOM 748 HG21 VAL A 50 1.831 4.624 -10.639 1.00 0.00 H ATOM 749 HG22 VAL A 50 0.476 3.716 -11.354 1.00 0.00 H ATOM 750 HG23 VAL A 50 1.104 5.168 -12.171 1.00 0.00 H ATOM 751 H VAL A 50 -1.590 3.252 -9.662 1.00 0.00 H ATOM 752 N GLN A 51 -1.243 6.752 -7.641 1.00 0.00 N ATOM 753 CA GLN A 51 -2.275 7.547 -6.978 1.00 0.00 C ATOM 754 C GLN A 51 -2.496 8.885 -7.698 1.00 0.00 C ATOM 755 O GLN A 51 -3.552 9.090 -8.297 1.00 0.00 O ATOM 756 CB GLN A 51 -1.918 7.765 -5.506 1.00 0.00 C ATOM 757 CG GLN A 51 -2.461 6.680 -4.587 1.00 0.00 C ATOM 758 CD GLN A 51 -3.854 6.989 -4.073 1.00 0.00 C ATOM 759 OE1 GLN A 51 -4.525 7.894 -4.570 1.00 0.00 O ATOM 760 NE2 GLN A 51 -4.296 6.236 -3.072 1.00 0.00 N ATOM 761 HA GLN A 51 -3.213 6.993 -7.024 1.00 0.00 H ATOM 762 HB2 GLN A 51 -0.832 7.786 -5.413 1.00 0.00 H ATOM 763 HB3 GLN A 51 -2.327 8.724 -5.189 1.00 0.00 H ATOM 764 HG2 GLN A 51 -2.493 5.740 -5.138 1.00 0.00 H ATOM 765 HG3 GLN A 51 -1.790 6.577 -3.734 1.00 0.00 H ATOM 766 HE22 GLN A 51 -3.694 5.482 -2.683 1.00 0.00 H ATOM 767 HE21 GLN A 51 -5.244 6.400 -2.677 1.00 0.00 H ATOM 768 H GLN A 51 -0.243 7.007 -7.513 1.00 0.00 H ATOM 769 N PRO A 52 -1.517 9.823 -7.673 1.00 0.00 N ATOM 770 CA PRO A 52 -1.669 11.113 -8.352 1.00 0.00 C ATOM 771 C PRO A 52 -1.406 11.009 -9.852 1.00 0.00 C ATOM 772 O PRO A 52 -0.309 10.640 -10.273 1.00 0.00 O ATOM 773 CB PRO A 52 -0.606 11.977 -7.683 1.00 0.00 C ATOM 774 CG PRO A 52 0.483 11.019 -7.353 1.00 0.00 C ATOM 775 CD PRO A 52 -0.200 9.717 -7.004 1.00 0.00 C ATOM 776 HA PRO A 52 -2.681 11.510 -8.268 1.00 0.00 H ATOM 777 HD3 PRO A 52 0.364 8.867 -7.387 1.00 0.00 H ATOM 778 HD2 PRO A 52 -0.318 9.616 -5.925 1.00 0.00 H ATOM 779 HG3 PRO A 52 1.063 11.382 -6.505 1.00 0.00 H ATOM 780 HG2 PRO A 52 1.142 10.884 -8.211 1.00 0.00 H ATOM 781 HB2 PRO A 52 -0.249 12.750 -8.364 1.00 0.00 H ATOM 782 HB3 PRO A 52 -0.998 12.444 -6.780 1.00 0.00 H ATOM 783 N GLU A 53 -2.414 11.335 -10.654 1.00 0.00 N ATOM 784 CA GLU A 53 -2.280 11.274 -12.105 1.00 0.00 C ATOM 785 C GLU A 53 -1.543 12.504 -12.634 1.00 0.00 C ATOM 786 O GLU A 53 -2.111 13.332 -13.349 1.00 0.00 O ATOM 787 CB GLU A 53 -3.660 11.145 -12.755 1.00 0.00 C ATOM 788 CG GLU A 53 -4.262 9.755 -12.614 1.00 0.00 C ATOM 789 CD GLU A 53 -5.347 9.479 -13.637 1.00 0.00 C ATOM 790 OE1 GLU A 53 -6.497 9.910 -13.412 1.00 0.00 O ATOM 791 OE2 GLU A 53 -5.047 8.831 -14.662 1.00 0.00 O ATOM 792 HA GLU A 53 -1.690 10.395 -12.364 1.00 0.00 H ATOM 793 HB2 GLU A 53 -4.333 11.863 -12.286 1.00 0.00 H ATOM 794 HB3 GLU A 53 -3.566 11.376 -13.816 1.00 0.00 H ATOM 795 HG2 GLU A 53 -3.469 9.017 -12.739 1.00 0.00 H ATOM 796 HG3 GLU A 53 -4.691 9.660 -11.616 1.00 0.00 H ATOM 797 H GLU A 53 -3.317 11.640 -10.238 1.00 0.00 H ATOM 798 N GLY A 54 -0.265 12.612 -12.273 1.00 0.00 N ATOM 799 CA GLY A 54 0.547 13.733 -12.712 1.00 0.00 C ATOM 800 C GLY A 54 1.992 13.334 -12.996 1.00 0.00 C ATOM 801 O GLY A 54 2.388 13.271 -14.160 1.00 0.00 O ATOM 802 HA3 GLY A 54 0.541 14.495 -11.933 1.00 0.00 H ATOM 803 HA2 GLY A 54 0.112 14.144 -13.623 1.00 0.00 H ATOM 804 H GLY A 54 0.158 11.881 -11.666 1.00 0.00 H ATOM 805 N PRO A 55 2.823 13.064 -11.957 1.00 0.00 N ATOM 806 CA PRO A 55 4.227 12.684 -12.166 1.00 0.00 C ATOM 807 C PRO A 55 4.382 11.404 -12.989 1.00 0.00 C ATOM 808 O PRO A 55 4.835 11.445 -14.133 1.00 0.00 O ATOM 809 CB PRO A 55 4.779 12.490 -10.744 1.00 0.00 C ATOM 810 CG PRO A 55 3.583 12.337 -9.866 1.00 0.00 C ATOM 811 CD PRO A 55 2.478 13.118 -10.519 1.00 0.00 C ATOM 812 HA PRO A 55 4.761 13.444 -12.737 1.00 0.00 H ATOM 813 HD3 PRO A 55 1.509 12.654 -10.332 1.00 0.00 H ATOM 814 HD2 PRO A 55 2.462 14.147 -10.160 1.00 0.00 H ATOM 815 HG3 PRO A 55 3.790 12.734 -8.872 1.00 0.00 H ATOM 816 HG2 PRO A 55 3.306 11.286 -9.785 1.00 0.00 H ATOM 817 HB2 PRO A 55 5.403 11.598 -10.696 1.00 0.00 H ATOM 818 HB3 PRO A 55 5.365 13.358 -10.441 1.00 0.00 H ATOM 819 N ALA A 56 4.014 10.268 -12.401 1.00 0.00 N ATOM 820 CA ALA A 56 4.126 8.982 -13.084 1.00 0.00 C ATOM 821 C ALA A 56 2.785 8.545 -13.675 1.00 0.00 C ATOM 822 O ALA A 56 2.400 7.377 -13.581 1.00 0.00 O ATOM 823 CB ALA A 56 4.662 7.931 -12.121 1.00 0.00 C ATOM 824 HA ALA A 56 4.825 9.093 -13.913 1.00 0.00 H ATOM 825 HB1 ALA A 56 5.645 8.236 -11.763 1.00 0.00 H ATOM 826 HB2 ALA A 56 3.980 7.833 -11.276 1.00 0.00 H ATOM 827 HB3 ALA A 56 4.743 6.974 -12.637 1.00 0.00 H ATOM 828 H ALA A 56 3.638 10.297 -11.432 1.00 0.00 H ATOM 829 N SER A 57 2.084 9.486 -14.296 1.00 0.00 N ATOM 830 CA SER A 57 0.795 9.194 -14.912 1.00 0.00 C ATOM 831 C SER A 57 0.991 8.701 -16.339 1.00 0.00 C ATOM 832 O SER A 57 0.600 7.586 -16.683 1.00 0.00 O ATOM 833 CB SER A 57 -0.093 10.439 -14.906 1.00 0.00 C ATOM 834 OG SER A 57 0.477 11.476 -15.685 1.00 0.00 O ATOM 835 HA SER A 57 0.305 8.411 -14.333 1.00 0.00 H ATOM 836 HB2 SER A 57 -0.211 10.788 -13.880 1.00 0.00 H ATOM 837 HB3 SER A 57 -1.070 10.182 -15.315 1.00 0.00 H ATOM 838 HG SER A 57 1.363 11.717 -15.315 1.00 0.00 H ATOM 839 H SER A 57 2.463 10.453 -14.344 1.00 0.00 H ATOM 840 N LYS A 58 1.612 9.540 -17.160 1.00 0.00 N ATOM 841 CA LYS A 58 1.880 9.193 -18.550 1.00 0.00 C ATOM 842 C LYS A 58 3.256 8.522 -18.729 1.00 0.00 C ATOM 843 O LYS A 58 3.591 8.101 -19.839 1.00 0.00 O ATOM 844 CB LYS A 58 1.806 10.448 -19.424 1.00 0.00 C ATOM 845 CG LYS A 58 1.495 10.153 -20.886 1.00 0.00 C ATOM 846 CD LYS A 58 2.710 10.351 -21.786 1.00 0.00 C ATOM 847 CE LYS A 58 2.338 10.246 -23.259 1.00 0.00 C ATOM 848 NZ LYS A 58 1.654 11.474 -23.750 1.00 0.00 N ATOM 849 HA LYS A 58 1.119 8.476 -18.857 1.00 0.00 H ATOM 850 HB2 LYS A 58 1.025 11.098 -19.029 1.00 0.00 H ATOM 851 HB3 LYS A 58 2.766 10.962 -19.372 1.00 0.00 H ATOM 852 HG2 LYS A 58 1.159 9.120 -20.972 1.00 0.00 H ATOM 853 HG3 LYS A 58 0.700 10.821 -21.218 1.00 0.00 H ATOM 854 HD2 LYS A 58 3.134 11.337 -21.597 1.00 0.00 H ATOM 855 HD3 LYS A 58 3.452 9.587 -21.553 1.00 0.00 H ATOM 856 HE2 LYS A 58 1.672 9.394 -23.394 1.00 0.00 H ATOM 857 HE3 LYS A 58 3.246 10.092 -23.842 1.00 0.00 H ATOM 858 HZ1 LYS A 58 0.782 11.625 -23.204 1.00 0.00 H ATOM 859 HZ2 LYS A 58 2.285 12.292 -23.631 1.00 0.00 H ATOM 860 HZ3 LYS A 58 1.419 11.359 -24.757 1.00 0.00 H ATOM 861 H LYS A 58 1.915 10.468 -16.802 1.00 0.00 H ATOM 862 N LEU A 59 4.053 8.413 -17.656 1.00 0.00 N ATOM 863 CA LEU A 59 5.375 7.794 -17.752 1.00 0.00 C ATOM 864 C LEU A 59 5.318 6.296 -17.454 1.00 0.00 C ATOM 865 O LEU A 59 5.516 5.473 -18.347 1.00 0.00 O ATOM 866 CB LEU A 59 6.345 8.478 -16.787 1.00 0.00 C ATOM 867 CG LEU A 59 6.898 9.813 -17.284 1.00 0.00 C ATOM 868 CD1 LEU A 59 7.725 9.609 -18.544 1.00 0.00 C ATOM 869 CD2 LEU A 59 5.763 10.793 -17.543 1.00 0.00 C ATOM 870 HA LEU A 59 5.727 7.920 -18.776 1.00 0.00 H ATOM 871 HB2 LEU A 59 5.822 8.655 -15.847 1.00 0.00 H ATOM 872 HB3 LEU A 59 7.185 7.805 -16.614 1.00 0.00 H ATOM 873 HG LEU A 59 7.545 10.230 -16.512 1.00 0.00 H ATOM 874 HD21 LEU A 59 5.094 10.381 -18.299 1.00 0.00 H ATOM 875 HD22 LEU A 59 5.210 10.959 -16.619 1.00 0.00 H ATOM 876 HD23 LEU A 59 6.175 11.738 -17.896 1.00 0.00 H ATOM 877 HD11 LEU A 59 8.557 8.939 -18.327 1.00 0.00 H ATOM 878 HD12 LEU A 59 7.098 9.172 -19.322 1.00 0.00 H ATOM 879 HD13 LEU A 59 8.111 10.570 -18.884 1.00 0.00 H ATOM 880 H LEU A 59 3.725 8.775 -16.738 1.00 0.00 H ATOM 881 N LEU A 60 5.061 5.947 -16.195 1.00 0.00 N ATOM 882 CA LEU A 60 4.996 4.544 -15.785 1.00 0.00 C ATOM 883 C LEU A 60 3.560 4.025 -15.754 1.00 0.00 C ATOM 884 O LEU A 60 2.627 4.764 -15.436 1.00 0.00 O ATOM 885 CB LEU A 60 5.631 4.373 -14.404 1.00 0.00 C ATOM 886 CG LEU A 60 7.047 4.931 -14.276 1.00 0.00 C ATOM 887 CD1 LEU A 60 7.314 5.404 -12.854 1.00 0.00 C ATOM 888 CD2 LEU A 60 8.067 3.884 -14.691 1.00 0.00 C ATOM 889 HA LEU A 60 5.548 3.962 -16.523 1.00 0.00 H ATOM 890 HB2 LEU A 60 4.999 4.880 -13.675 1.00 0.00 H ATOM 891 HB3 LEU A 60 5.664 3.308 -14.175 1.00 0.00 H ATOM 892 HG LEU A 60 7.140 5.789 -14.942 1.00 0.00 H ATOM 893 HD21 LEU A 60 7.970 3.009 -14.048 1.00 0.00 H ATOM 894 HD22 LEU A 60 7.890 3.597 -15.727 1.00 0.00 H ATOM 895 HD23 LEU A 60 9.071 4.298 -14.594 1.00 0.00 H ATOM 896 HD11 LEU A 60 6.602 6.187 -12.593 1.00 0.00 H ATOM 897 HD12 LEU A 60 7.202 4.566 -12.167 1.00 0.00 H ATOM 898 HD13 LEU A 60 8.328 5.797 -12.788 1.00 0.00 H ATOM 899 H LEU A 60 4.902 6.690 -15.485 1.00 0.00 H ATOM 900 N GLN A 61 3.405 2.750 -16.084 1.00 0.00 N ATOM 901 CA GLN A 61 2.085 2.102 -16.089 1.00 0.00 C ATOM 902 C GLN A 61 2.003 1.042 -14.982 1.00 0.00 C ATOM 903 O GLN A 61 3.026 0.467 -14.608 1.00 0.00 O ATOM 904 CB GLN A 61 1.814 1.459 -17.449 1.00 0.00 C ATOM 905 CG GLN A 61 2.859 0.433 -17.852 1.00 0.00 C ATOM 906 CD GLN A 61 2.383 -0.477 -18.966 1.00 0.00 C ATOM 907 OE1 GLN A 61 2.024 -0.017 -20.050 1.00 0.00 O ATOM 908 NE2 GLN A 61 2.379 -1.780 -18.705 1.00 0.00 N ATOM 909 HA GLN A 61 1.328 2.863 -15.902 1.00 0.00 H ATOM 910 HB2 GLN A 61 0.843 0.966 -17.411 1.00 0.00 H ATOM 911 HB3 GLN A 61 1.792 2.245 -18.204 1.00 0.00 H ATOM 912 HG2 GLN A 61 3.753 0.958 -18.188 1.00 0.00 H ATOM 913 HG3 GLN A 61 3.103 -0.177 -16.982 1.00 0.00 H ATOM 914 HE22 GLN A 61 2.691 -2.125 -17.775 1.00 0.00 H ATOM 915 HE21 GLN A 61 2.064 -2.455 -19.431 1.00 0.00 H ATOM 916 H GLN A 61 4.242 2.192 -16.347 1.00 0.00 H ATOM 917 N PRO A 62 0.798 0.763 -14.428 1.00 0.00 N ATOM 918 CA PRO A 62 0.648 -0.232 -13.359 1.00 0.00 C ATOM 919 C PRO A 62 1.001 -1.645 -13.819 1.00 0.00 C ATOM 920 O PRO A 62 0.499 -2.122 -14.836 1.00 0.00 O ATOM 921 CB PRO A 62 -0.838 -0.147 -12.970 1.00 0.00 C ATOM 922 CG PRO A 62 -1.323 1.141 -13.542 1.00 0.00 C ATOM 923 CD PRO A 62 -0.498 1.381 -14.774 1.00 0.00 C ATOM 924 HA PRO A 62 1.324 -0.027 -12.529 1.00 0.00 H ATOM 925 HD3 PRO A 62 -0.943 0.899 -15.644 1.00 0.00 H ATOM 926 HD2 PRO A 62 -0.385 2.447 -14.969 1.00 0.00 H ATOM 927 HG3 PRO A 62 -1.181 1.951 -12.827 1.00 0.00 H ATOM 928 HG2 PRO A 62 -2.379 1.067 -13.801 1.00 0.00 H ATOM 929 HB2 PRO A 62 -1.392 -0.985 -13.393 1.00 0.00 H ATOM 930 HB3 PRO A 62 -0.950 -0.149 -11.886 1.00 0.00 H ATOM 931 N GLY A 63 1.861 -2.310 -13.050 1.00 0.00 N ATOM 932 CA GLY A 63 2.262 -3.668 -13.379 1.00 0.00 C ATOM 933 C GLY A 63 3.529 -3.745 -14.220 1.00 0.00 C ATOM 934 O GLY A 63 3.789 -4.769 -14.852 1.00 0.00 O ATOM 935 HA3 GLY A 63 1.452 -4.142 -13.933 1.00 0.00 H ATOM 936 HA2 GLY A 63 2.432 -4.212 -12.450 1.00 0.00 H ATOM 937 H GLY A 63 2.251 -1.851 -12.202 1.00 0.00 H ATOM 938 N ASP A 64 4.322 -2.673 -14.231 1.00 0.00 N ATOM 939 CA ASP A 64 5.560 -2.654 -15.003 1.00 0.00 C ATOM 940 C ASP A 64 6.742 -3.077 -14.139 1.00 0.00 C ATOM 941 O ASP A 64 6.733 -2.885 -12.923 1.00 0.00 O ATOM 942 CB ASP A 64 5.809 -1.261 -15.581 1.00 0.00 C ATOM 943 CG ASP A 64 6.666 -1.302 -16.830 1.00 0.00 C ATOM 944 OD1 ASP A 64 7.793 -1.836 -16.760 1.00 0.00 O ATOM 945 OD2 ASP A 64 6.211 -0.802 -17.880 1.00 0.00 O ATOM 946 HA ASP A 64 5.457 -3.364 -15.824 1.00 0.00 H ATOM 947 HB2 ASP A 64 4.849 -0.807 -15.829 1.00 0.00 H ATOM 948 HB3 ASP A 64 6.313 -0.654 -14.829 1.00 0.00 H ATOM 949 H ASP A 64 4.053 -1.834 -13.678 1.00 0.00 H ATOM 950 N LYS A 65 7.756 -3.661 -14.771 1.00 0.00 N ATOM 951 CA LYS A 65 8.943 -4.118 -14.056 1.00 0.00 C ATOM 952 C LYS A 65 10.090 -3.120 -14.195 1.00 0.00 C ATOM 953 O LYS A 65 10.424 -2.692 -15.299 1.00 0.00 O ATOM 954 CB LYS A 65 9.375 -5.487 -14.582 1.00 0.00 C ATOM 955 CG LYS A 65 10.376 -6.197 -13.686 1.00 0.00 C ATOM 956 CD LYS A 65 10.712 -7.582 -14.215 1.00 0.00 C ATOM 957 CE LYS A 65 11.648 -8.328 -13.277 1.00 0.00 C ATOM 958 NZ LYS A 65 13.031 -7.776 -13.316 1.00 0.00 N ATOM 959 HA LYS A 65 8.691 -4.200 -12.999 1.00 0.00 H ATOM 960 HB2 LYS A 65 8.489 -6.116 -14.675 1.00 0.00 H ATOM 961 HB3 LYS A 65 9.827 -5.352 -15.564 1.00 0.00 H ATOM 962 HG2 LYS A 65 11.290 -5.605 -13.637 1.00 0.00 H ATOM 963 HG3 LYS A 65 9.952 -6.292 -12.686 1.00 0.00 H ATOM 964 HD2 LYS A 65 9.790 -8.153 -14.323 1.00 0.00 H ATOM 965 HD3 LYS A 65 11.192 -7.482 -15.189 1.00 0.00 H ATOM 966 HE2 LYS A 65 11.679 -9.377 -13.571 1.00 0.00 H ATOM 967 HE3 LYS A 65 11.265 -8.248 -12.260 1.00 0.00 H ATOM 968 HZ1 LYS A 65 13.407 -7.855 -14.282 1.00 0.00 H ATOM 969 HZ2 LYS A 65 13.012 -6.776 -13.030 1.00 0.00 H ATOM 970 HZ3 LYS A 65 13.636 -8.313 -12.662 1.00 0.00 H ATOM 971 H LYS A 65 7.702 -3.795 -15.801 1.00 0.00 H ATOM 972 N ILE A 66 10.695 -2.759 -13.064 1.00 0.00 N ATOM 973 CA ILE A 66 11.812 -1.817 -13.059 1.00 0.00 C ATOM 974 C ILE A 66 13.138 -2.562 -13.205 1.00 0.00 C ATOM 975 O ILE A 66 13.490 -3.378 -12.354 1.00 0.00 O ATOM 976 CB ILE A 66 11.836 -0.976 -11.763 1.00 0.00 C ATOM 977 CG1 ILE A 66 10.456 -0.376 -11.491 1.00 0.00 C ATOM 978 CG2 ILE A 66 12.884 0.125 -11.861 1.00 0.00 C ATOM 979 CD1 ILE A 66 10.293 0.142 -10.079 1.00 0.00 C ATOM 980 HA ILE A 66 11.676 -1.144 -13.906 1.00 0.00 H ATOM 981 HB ILE A 66 12.100 -1.630 -10.932 1.00 0.00 H ATOM 982 HG12 ILE A 66 10.296 0.451 -12.183 1.00 0.00 H ATOM 983 HG13 ILE A 66 9.704 -1.145 -11.666 1.00 0.00 H ATOM 984 HD11 ILE A 66 10.439 -0.676 -9.374 1.00 0.00 H ATOM 985 HD12 ILE A 66 11.032 0.921 -9.892 1.00 0.00 H ATOM 986 HD13 ILE A 66 9.291 0.553 -9.958 1.00 0.00 H ATOM 987 HG21 ILE A 66 13.866 -0.323 -12.012 1.00 0.00 H ATOM 988 HG22 ILE A 66 12.647 0.776 -12.702 1.00 0.00 H ATOM 989 HG23 ILE A 66 12.886 0.706 -10.939 1.00 0.00 H ATOM 990 H ILE A 66 10.364 -3.158 -12.162 1.00 0.00 H ATOM 991 N ILE A 67 13.857 -2.295 -14.298 1.00 0.00 N ATOM 992 CA ILE A 67 15.127 -2.960 -14.559 1.00 0.00 C ATOM 993 C ILE A 67 16.310 -2.189 -13.973 1.00 0.00 C ATOM 994 O ILE A 67 17.214 -2.783 -13.386 1.00 0.00 O ATOM 995 CB ILE A 67 15.363 -3.150 -16.074 1.00 0.00 C ATOM 996 CG1 ILE A 67 14.108 -3.699 -16.762 1.00 0.00 C ATOM 997 CG2 ILE A 67 16.544 -4.078 -16.313 1.00 0.00 C ATOM 998 CD1 ILE A 67 13.648 -5.029 -16.204 1.00 0.00 C ATOM 999 HA ILE A 67 15.063 -3.934 -14.073 1.00 0.00 H ATOM 1000 HB ILE A 67 15.588 -2.175 -16.506 1.00 0.00 H ATOM 1001 HG12 ILE A 67 13.302 -2.975 -16.639 1.00 0.00 H ATOM 1002 HG13 ILE A 67 14.323 -3.825 -17.823 1.00 0.00 H ATOM 1003 HD11 ILE A 67 14.440 -5.768 -16.329 1.00 0.00 H ATOM 1004 HD12 ILE A 67 13.418 -4.917 -15.144 1.00 0.00 H ATOM 1005 HD13 ILE A 67 12.756 -5.357 -16.738 1.00 0.00 H ATOM 1006 HG21 ILE A 67 17.439 -3.648 -15.864 1.00 0.00 H ATOM 1007 HG22 ILE A 67 16.340 -5.048 -15.860 1.00 0.00 H ATOM 1008 HG23 ILE A 67 16.697 -4.201 -17.385 1.00 0.00 H ATOM 1009 H ILE A 67 13.502 -1.595 -14.980 1.00 0.00 H ATOM 1010 N GLN A 68 16.314 -0.869 -14.150 1.00 0.00 N ATOM 1011 CA GLN A 68 17.409 -0.040 -13.650 1.00 0.00 C ATOM 1012 C GLN A 68 16.912 1.325 -13.177 1.00 0.00 C ATOM 1013 O GLN A 68 15.919 1.845 -13.685 1.00 0.00 O ATOM 1014 CB GLN A 68 18.462 0.146 -14.743 1.00 0.00 C ATOM 1015 CG GLN A 68 19.820 0.578 -14.214 1.00 0.00 C ATOM 1016 CD GLN A 68 20.661 1.272 -15.267 1.00 0.00 C ATOM 1017 OE1 GLN A 68 21.661 0.730 -15.735 1.00 0.00 O ATOM 1018 NE2 GLN A 68 20.257 2.479 -15.647 1.00 0.00 N ATOM 1019 HA GLN A 68 17.850 -0.552 -12.795 1.00 0.00 H ATOM 1020 HB2 GLN A 68 18.583 -0.800 -15.270 1.00 0.00 H ATOM 1021 HB3 GLN A 68 18.106 0.905 -15.439 1.00 0.00 H ATOM 1022 HG2 GLN A 68 19.668 1.263 -13.380 1.00 0.00 H ATOM 1023 HG3 GLN A 68 20.356 -0.304 -13.864 1.00 0.00 H ATOM 1024 HE22 GLN A 68 19.405 2.899 -15.224 1.00 0.00 H ATOM 1025 HE21 GLN A 68 20.793 3.004 -16.367 1.00 0.00 H ATOM 1026 H GLN A 68 15.523 -0.420 -14.654 1.00 0.00 H ATOM 1027 N ALA A 69 17.615 1.900 -12.204 1.00 0.00 N ATOM 1028 CA ALA A 69 17.253 3.204 -11.663 1.00 0.00 C ATOM 1029 C ALA A 69 18.488 4.077 -11.431 1.00 0.00 C ATOM 1030 O ALA A 69 19.368 3.726 -10.646 1.00 0.00 O ATOM 1031 CB ALA A 69 16.478 3.036 -10.363 1.00 0.00 C ATOM 1032 HA ALA A 69 16.621 3.706 -12.396 1.00 0.00 H ATOM 1033 HB1 ALA A 69 15.570 2.463 -10.554 1.00 0.00 H ATOM 1034 HB2 ALA A 69 17.097 2.507 -9.638 1.00 0.00 H ATOM 1035 HB3 ALA A 69 16.214 4.018 -9.970 1.00 0.00 H ATOM 1036 H ALA A 69 18.445 1.405 -11.819 1.00 0.00 H ATOM 1037 N ASN A 70 18.529 5.230 -12.107 1.00 0.00 N ATOM 1038 CA ASN A 70 19.635 6.194 -11.978 1.00 0.00 C ATOM 1039 C ASN A 70 21.021 5.539 -12.049 1.00 0.00 C ATOM 1040 O ASN A 70 21.982 6.045 -11.465 1.00 0.00 O ATOM 1041 CB ASN A 70 19.501 6.962 -10.663 1.00 0.00 C ATOM 1042 CG ASN A 70 18.276 7.856 -10.638 1.00 0.00 C ATOM 1043 OD1 ASN A 70 17.193 7.456 -11.065 1.00 0.00 O ATOM 1044 ND2 ASN A 70 18.442 9.075 -10.138 1.00 0.00 N ATOM 1045 HA ASN A 70 19.559 6.872 -12.828 1.00 0.00 H ATOM 1046 HB2 ASN A 70 19.429 6.246 -9.845 1.00 0.00 H ATOM 1047 HB3 ASN A 70 20.388 7.580 -10.526 1.00 0.00 H ATOM 1048 HD22 ASN A 70 19.376 9.371 -9.788 1.00 0.00 H ATOM 1049 HD21 ASN A 70 17.638 9.734 -10.096 1.00 0.00 H ATOM 1050 H ASN A 70 17.745 5.456 -12.752 1.00 0.00 H ATOM 1051 N GLY A 71 21.120 4.424 -12.768 1.00 0.00 N ATOM 1052 CA GLY A 71 22.397 3.734 -12.901 1.00 0.00 C ATOM 1053 C GLY A 71 22.517 2.508 -12.008 1.00 0.00 C ATOM 1054 O GLY A 71 23.343 1.634 -12.266 1.00 0.00 O ATOM 1055 HA3 GLY A 71 23.195 4.430 -12.642 1.00 0.00 H ATOM 1056 HA2 GLY A 71 22.514 3.419 -13.938 1.00 0.00 H ATOM 1057 H GLY A 71 20.277 4.040 -13.241 1.00 0.00 H ATOM 1058 N TYR A 72 21.699 2.436 -10.959 1.00 0.00 N ATOM 1059 CA TYR A 72 21.739 1.300 -10.044 1.00 0.00 C ATOM 1060 C TYR A 72 20.809 0.192 -10.526 1.00 0.00 C ATOM 1061 O TYR A 72 19.626 0.425 -10.777 1.00 0.00 O ATOM 1062 CB TYR A 72 21.340 1.740 -8.632 1.00 0.00 C ATOM 1063 CG TYR A 72 22.443 2.456 -7.882 1.00 0.00 C ATOM 1064 CD1 TYR A 72 22.869 3.719 -8.272 1.00 0.00 C ATOM 1065 CD2 TYR A 72 23.059 1.866 -6.784 1.00 0.00 C ATOM 1066 CE1 TYR A 72 23.876 4.375 -7.590 1.00 0.00 C ATOM 1067 CE2 TYR A 72 24.065 2.517 -6.097 1.00 0.00 C ATOM 1068 CZ TYR A 72 24.470 3.771 -6.503 1.00 0.00 C ATOM 1069 OH TYR A 72 25.473 4.421 -5.821 1.00 0.00 O ATOM 1070 HA TYR A 72 22.758 0.915 -10.020 1.00 0.00 H ATOM 1071 HB3 TYR A 72 21.055 0.855 -8.063 1.00 0.00 H ATOM 1072 HB2 TYR A 72 20.485 2.411 -8.709 1.00 0.00 H ATOM 1073 HD2 TYR A 72 22.743 0.874 -6.460 1.00 0.00 H ATOM 1074 HE2 TYR A 72 24.537 2.041 -5.237 1.00 0.00 H ATOM 1075 HE1 TYR A 72 24.199 5.366 -7.910 1.00 0.00 H ATOM 1076 HD1 TYR A 72 22.401 4.201 -9.130 1.00 0.00 H ATOM 1077 HH TYR A 72 25.638 5.302 -6.241 1.00 0.00 H ATOM 1078 H TYR A 72 21.019 3.204 -10.789 1.00 0.00 H ATOM 1079 N SER A 73 21.352 -1.014 -10.659 1.00 0.00 N ATOM 1080 CA SER A 73 20.568 -2.158 -11.113 1.00 0.00 C ATOM 1081 C SER A 73 19.608 -2.617 -10.021 1.00 0.00 C ATOM 1082 O SER A 73 19.953 -2.605 -8.840 1.00 0.00 O ATOM 1083 CB SER A 73 21.491 -3.310 -11.518 1.00 0.00 C ATOM 1084 OG SER A 73 20.779 -4.310 -12.226 1.00 0.00 O ATOM 1085 HA SER A 73 19.986 -1.851 -11.982 1.00 0.00 H ATOM 1086 HB2 SER A 73 21.926 -3.750 -10.621 1.00 0.00 H ATOM 1087 HB3 SER A 73 22.287 -2.922 -12.154 1.00 0.00 H ATOM 1088 HG SER A 73 21.399 -5.041 -12.475 1.00 0.00 H ATOM 1089 H SER A 73 22.359 -1.145 -10.434 1.00 0.00 H ATOM 1090 N PHE A 74 18.403 -3.015 -10.419 1.00 0.00 N ATOM 1091 CA PHE A 74 17.391 -3.470 -9.467 1.00 0.00 C ATOM 1092 C PHE A 74 17.108 -4.973 -9.599 1.00 0.00 C ATOM 1093 O PHE A 74 16.059 -5.445 -9.166 1.00 0.00 O ATOM 1094 CB PHE A 74 16.093 -2.681 -9.677 1.00 0.00 C ATOM 1095 CG PHE A 74 16.031 -1.393 -8.902 1.00 0.00 C ATOM 1096 CD1 PHE A 74 17.111 -0.524 -8.880 1.00 0.00 C ATOM 1097 CD2 PHE A 74 14.888 -1.051 -8.195 1.00 0.00 C ATOM 1098 CE1 PHE A 74 17.052 0.660 -8.168 1.00 0.00 C ATOM 1099 CE2 PHE A 74 14.825 0.131 -7.481 1.00 0.00 C ATOM 1100 CZ PHE A 74 15.908 0.987 -7.467 1.00 0.00 C ATOM 1101 HA PHE A 74 17.780 -3.294 -8.464 1.00 0.00 H ATOM 1102 HB2 PHE A 74 16.000 -2.448 -10.738 1.00 0.00 H ATOM 1103 HB3 PHE A 74 15.256 -3.308 -9.369 1.00 0.00 H ATOM 1104 HD2 PHE A 74 14.029 -1.722 -8.202 1.00 0.00 H ATOM 1105 HE2 PHE A 74 13.921 0.387 -6.929 1.00 0.00 H ATOM 1106 HZ PHE A 74 15.860 1.919 -6.904 1.00 0.00 H ATOM 1107 HE1 PHE A 74 17.908 1.335 -8.160 1.00 0.00 H ATOM 1108 HD1 PHE A 74 18.017 -0.777 -9.430 1.00 0.00 H ATOM 1109 H PHE A 74 18.175 -3.002 -11.434 1.00 0.00 H ATOM 1110 N ILE A 75 18.039 -5.726 -10.192 1.00 0.00 N ATOM 1111 CA ILE A 75 17.854 -7.170 -10.366 1.00 0.00 C ATOM 1112 C ILE A 75 18.563 -7.963 -9.262 1.00 0.00 C ATOM 1113 O ILE A 75 19.691 -7.646 -8.887 1.00 0.00 O ATOM 1114 CB ILE A 75 18.370 -7.649 -11.741 1.00 0.00 C ATOM 1115 CG1 ILE A 75 17.860 -6.736 -12.859 1.00 0.00 C ATOM 1116 CG2 ILE A 75 17.939 -9.087 -11.994 1.00 0.00 C ATOM 1117 CD1 ILE A 75 16.350 -6.667 -12.941 1.00 0.00 C ATOM 1118 HA ILE A 75 16.781 -7.353 -10.306 1.00 0.00 H ATOM 1119 HB ILE A 75 19.459 -7.605 -11.734 1.00 0.00 H ATOM 1120 HG12 ILE A 75 18.243 -5.730 -12.685 1.00 0.00 H ATOM 1121 HG13 ILE A 75 18.241 -7.109 -13.810 1.00 0.00 H ATOM 1122 HD11 ILE A 75 15.952 -7.664 -13.126 1.00 0.00 H ATOM 1123 HD12 ILE A 75 15.953 -6.285 -12.000 1.00 0.00 H ATOM 1124 HD13 ILE A 75 16.062 -6.002 -13.755 1.00 0.00 H ATOM 1125 HG21 ILE A 75 18.349 -9.730 -11.215 1.00 0.00 H ATOM 1126 HG22 ILE A 75 16.851 -9.146 -11.981 1.00 0.00 H ATOM 1127 HG23 ILE A 75 18.310 -9.410 -12.967 1.00 0.00 H ATOM 1128 H ILE A 75 18.912 -5.279 -10.537 1.00 0.00 H ATOM 1129 N ASN A 76 17.882 -8.994 -8.752 1.00 0.00 N ATOM 1130 CA ASN A 76 18.424 -9.854 -7.686 1.00 0.00 C ATOM 1131 C ASN A 76 18.630 -9.105 -6.355 1.00 0.00 C ATOM 1132 O ASN A 76 19.277 -9.629 -5.445 1.00 0.00 O ATOM 1133 CB ASN A 76 19.761 -10.466 -8.125 1.00 0.00 C ATOM 1134 CG ASN A 76 19.641 -11.265 -9.408 1.00 0.00 C ATOM 1135 OD1 ASN A 76 18.919 -12.260 -9.469 1.00 0.00 O ATOM 1136 ND2 ASN A 76 20.351 -10.831 -10.444 1.00 0.00 N ATOM 1137 HA ASN A 76 17.683 -10.635 -7.516 1.00 0.00 H ATOM 1138 HB2 ASN A 76 20.480 -9.661 -8.280 1.00 0.00 H ATOM 1139 HB3 ASN A 76 20.120 -11.125 -7.335 1.00 0.00 H ATOM 1140 HD22 ASN A 76 20.948 -9.985 -10.347 1.00 0.00 H ATOM 1141 HD21 ASN A 76 20.310 -11.337 -11.352 1.00 0.00 H ATOM 1142 H ASN A 76 16.932 -9.197 -9.123 1.00 0.00 H ATOM 1143 N ILE A 77 18.112 -7.879 -6.241 1.00 0.00 N ATOM 1144 CA ILE A 77 18.295 -7.084 -5.023 1.00 0.00 C ATOM 1145 C ILE A 77 17.156 -7.249 -4.013 1.00 0.00 C ATOM 1146 O ILE A 77 16.064 -7.708 -4.344 1.00 0.00 O ATOM 1147 CB ILE A 77 18.451 -5.582 -5.353 1.00 0.00 C ATOM 1148 CG1 ILE A 77 17.197 -5.033 -6.041 1.00 0.00 C ATOM 1149 CG2 ILE A 77 19.670 -5.362 -6.233 1.00 0.00 C ATOM 1150 CD1 ILE A 77 16.992 -3.549 -5.822 1.00 0.00 C ATOM 1151 HA ILE A 77 19.208 -7.466 -4.566 1.00 0.00 H ATOM 1152 HB ILE A 77 18.586 -5.043 -4.415 1.00 0.00 H ATOM 1153 HG12 ILE A 77 17.282 -5.216 -7.112 1.00 0.00 H ATOM 1154 HG13 ILE A 77 16.328 -5.563 -5.651 1.00 0.00 H ATOM 1155 HD11 ILE A 77 16.894 -3.351 -4.755 1.00 0.00 H ATOM 1156 HD12 ILE A 77 17.849 -3.003 -6.217 1.00 0.00 H ATOM 1157 HD13 ILE A 77 16.086 -3.229 -6.337 1.00 0.00 H ATOM 1158 HG21 ILE A 77 20.562 -5.707 -5.710 1.00 0.00 H ATOM 1159 HG22 ILE A 77 19.552 -5.921 -7.161 1.00 0.00 H ATOM 1160 HG23 ILE A 77 19.768 -4.300 -6.457 1.00 0.00 H ATOM 1161 H ILE A 77 17.568 -7.480 -7.033 1.00 0.00 H ATOM 1162 N GLU A 78 17.434 -6.841 -2.770 1.00 0.00 N ATOM 1163 CA GLU A 78 16.454 -6.910 -1.698 1.00 0.00 C ATOM 1164 C GLU A 78 15.536 -5.690 -1.757 1.00 0.00 C ATOM 1165 O GLU A 78 15.973 -4.598 -2.121 1.00 0.00 O ATOM 1166 CB GLU A 78 17.155 -6.988 -0.340 1.00 0.00 C ATOM 1167 CG GLU A 78 18.050 -8.209 -0.195 1.00 0.00 C ATOM 1168 CD GLU A 78 18.630 -8.347 1.199 1.00 0.00 C ATOM 1169 OE1 GLU A 78 17.881 -8.745 2.116 1.00 0.00 O ATOM 1170 OE2 GLU A 78 19.833 -8.059 1.372 1.00 0.00 O ATOM 1171 HA GLU A 78 15.852 -7.810 -1.824 1.00 0.00 H ATOM 1172 HB2 GLU A 78 17.766 -6.094 -0.214 1.00 0.00 H ATOM 1173 HB3 GLU A 78 16.395 -7.021 0.441 1.00 0.00 H ATOM 1174 HG2 GLU A 78 17.464 -9.100 -0.419 1.00 0.00 H ATOM 1175 HG3 GLU A 78 18.870 -8.127 -0.908 1.00 0.00 H ATOM 1176 H GLU A 78 18.381 -6.463 -2.564 1.00 0.00 H ATOM 1177 N HIS A 79 14.257 -5.881 -1.419 1.00 0.00 N ATOM 1178 CA HIS A 79 13.271 -4.793 -1.457 1.00 0.00 C ATOM 1179 C HIS A 79 13.736 -3.556 -0.679 1.00 0.00 C ATOM 1180 O HIS A 79 13.717 -2.444 -1.205 1.00 0.00 O ATOM 1181 CB HIS A 79 11.928 -5.269 -0.898 1.00 0.00 C ATOM 1182 CG HIS A 79 10.788 -4.361 -1.245 1.00 0.00 C ATOM 1183 ND1 HIS A 79 9.466 -4.689 -1.029 1.00 0.00 N ATOM 1184 CD2 HIS A 79 10.780 -3.124 -1.798 1.00 0.00 C ATOM 1185 CE1 HIS A 79 8.695 -3.694 -1.437 1.00 0.00 C ATOM 1186 NE2 HIS A 79 9.469 -2.733 -1.906 1.00 0.00 N ATOM 1187 HA HIS A 79 13.158 -4.508 -2.503 1.00 0.00 H ATOM 1188 HB2 HIS A 79 11.717 -6.260 -1.300 1.00 0.00 H ATOM 1189 HB3 HIS A 79 12.006 -5.328 0.188 1.00 0.00 H ATOM 1190 HD2 HIS A 79 11.653 -2.546 -2.101 1.00 0.00 H ATOM 1191 HE1 HIS A 79 7.606 -3.672 -1.393 1.00 0.00 H ATOM 1192 H HIS A 79 13.951 -6.829 -1.120 1.00 0.00 H ATOM 1193 N GLY A 80 14.151 -3.757 0.574 1.00 0.00 N ATOM 1194 CA GLY A 80 14.612 -2.646 1.404 1.00 0.00 C ATOM 1195 C GLY A 80 15.714 -1.827 0.748 1.00 0.00 C ATOM 1196 O GLY A 80 15.849 -0.629 1.010 1.00 0.00 O ATOM 1197 HA3 GLY A 80 14.991 -3.049 2.343 1.00 0.00 H ATOM 1198 HA2 GLY A 80 13.766 -1.990 1.607 1.00 0.00 H ATOM 1199 H GLY A 80 14.146 -4.720 0.966 1.00 0.00 H ATOM 1200 N GLN A 81 16.495 -2.472 -0.111 1.00 0.00 N ATOM 1201 CA GLN A 81 17.579 -1.800 -0.815 1.00 0.00 C ATOM 1202 C GLN A 81 17.023 -0.934 -1.939 1.00 0.00 C ATOM 1203 O GLN A 81 17.522 0.162 -2.202 1.00 0.00 O ATOM 1204 CB GLN A 81 18.563 -2.824 -1.383 1.00 0.00 C ATOM 1205 CG GLN A 81 19.977 -2.289 -1.529 1.00 0.00 C ATOM 1206 CD GLN A 81 20.679 -2.123 -0.195 1.00 0.00 C ATOM 1207 OE1 GLN A 81 20.669 -1.043 0.394 1.00 0.00 O ATOM 1208 NE2 GLN A 81 21.291 -3.197 0.289 1.00 0.00 N ATOM 1209 HA GLN A 81 18.107 -1.162 -0.106 1.00 0.00 H ATOM 1210 HB2 GLN A 81 18.587 -3.686 -0.717 1.00 0.00 H ATOM 1211 HB3 GLN A 81 18.208 -3.136 -2.366 1.00 0.00 H ATOM 1212 HG2 GLN A 81 20.552 -2.983 -2.142 1.00 0.00 H ATOM 1213 HG3 GLN A 81 19.934 -1.319 -2.024 1.00 0.00 H ATOM 1214 HE22 GLN A 81 21.273 -4.090 -0.244 1.00 0.00 H ATOM 1215 HE21 GLN A 81 21.788 -3.145 1.201 1.00 0.00 H ATOM 1216 H GLN A 81 16.328 -3.484 -0.286 1.00 0.00 H ATOM 1217 N ALA A 82 15.985 -1.435 -2.599 1.00 0.00 N ATOM 1218 CA ALA A 82 15.351 -0.716 -3.697 1.00 0.00 C ATOM 1219 C ALA A 82 14.641 0.542 -3.202 1.00 0.00 C ATOM 1220 O ALA A 82 14.800 1.621 -3.772 1.00 0.00 O ATOM 1221 CB ALA A 82 14.371 -1.624 -4.422 1.00 0.00 C ATOM 1222 HA ALA A 82 16.132 -0.407 -4.392 1.00 0.00 H ATOM 1223 HB1 ALA A 82 14.904 -2.487 -4.820 1.00 0.00 H ATOM 1224 HB2 ALA A 82 13.604 -1.959 -3.724 1.00 0.00 H ATOM 1225 HB3 ALA A 82 13.905 -1.074 -5.240 1.00 0.00 H ATOM 1226 H ALA A 82 15.614 -2.367 -2.325 1.00 0.00 H ATOM 1227 N VAL A 83 13.853 0.393 -2.140 1.00 0.00 N ATOM 1228 CA VAL A 83 13.114 1.517 -1.572 1.00 0.00 C ATOM 1229 C VAL A 83 14.061 2.604 -1.066 1.00 0.00 C ATOM 1230 O VAL A 83 13.829 3.793 -1.284 1.00 0.00 O ATOM 1231 CB VAL A 83 12.198 1.068 -0.411 1.00 0.00 C ATOM 1232 CG1 VAL A 83 11.282 2.203 0.024 1.00 0.00 C ATOM 1233 CG2 VAL A 83 11.382 -0.153 -0.807 1.00 0.00 C ATOM 1234 HA VAL A 83 12.497 1.921 -2.375 1.00 0.00 H ATOM 1235 HB VAL A 83 12.832 0.797 0.433 1.00 0.00 H ATOM 1236 HG11 VAL A 83 11.885 3.047 0.358 1.00 0.00 H ATOM 1237 HG12 VAL A 83 10.660 2.509 -0.817 1.00 0.00 H ATOM 1238 HG13 VAL A 83 10.647 1.863 0.842 1.00 0.00 H ATOM 1239 HG21 VAL A 83 10.762 0.090 -1.670 1.00 0.00 H ATOM 1240 HG22 VAL A 83 12.055 -0.972 -1.061 1.00 0.00 H ATOM 1241 HG23 VAL A 83 10.746 -0.449 0.027 1.00 0.00 H ATOM 1242 H VAL A 83 13.761 -0.547 -1.704 1.00 0.00 H ATOM 1243 N SER A 84 15.124 2.188 -0.386 1.00 0.00 N ATOM 1244 CA SER A 84 16.103 3.127 0.158 1.00 0.00 C ATOM 1245 C SER A 84 16.760 3.950 -0.947 1.00 0.00 C ATOM 1246 O SER A 84 17.025 5.140 -0.774 1.00 0.00 O ATOM 1247 CB SER A 84 17.172 2.374 0.949 1.00 0.00 C ATOM 1248 OG SER A 84 18.085 3.272 1.556 1.00 0.00 O ATOM 1249 HA SER A 84 15.575 3.811 0.822 1.00 0.00 H ATOM 1250 HB2 SER A 84 17.717 1.715 0.273 1.00 0.00 H ATOM 1251 HB3 SER A 84 16.689 1.779 1.724 1.00 0.00 H ATOM 1252 HG SER A 84 18.530 3.812 0.856 1.00 0.00 H ATOM 1253 H SER A 84 15.263 1.168 -0.237 1.00 0.00 H ATOM 1254 N LEU A 85 17.027 3.309 -2.079 1.00 0.00 N ATOM 1255 CA LEU A 85 17.661 3.982 -3.208 1.00 0.00 C ATOM 1256 C LEU A 85 16.738 5.030 -3.823 1.00 0.00 C ATOM 1257 O LEU A 85 17.161 6.146 -4.121 1.00 0.00 O ATOM 1258 CB LEU A 85 18.063 2.959 -4.272 1.00 0.00 C ATOM 1259 CG LEU A 85 19.340 2.179 -3.960 1.00 0.00 C ATOM 1260 CD1 LEU A 85 19.610 1.141 -5.036 1.00 0.00 C ATOM 1261 CD2 LEU A 85 20.520 3.130 -3.826 1.00 0.00 C ATOM 1262 HA LEU A 85 18.551 4.490 -2.836 1.00 0.00 H ATOM 1263 HB2 LEU A 85 17.247 2.245 -4.382 1.00 0.00 H ATOM 1264 HB3 LEU A 85 18.210 3.488 -5.214 1.00 0.00 H ATOM 1265 HG LEU A 85 19.204 1.659 -3.012 1.00 0.00 H ATOM 1266 HD21 LEU A 85 20.654 3.674 -4.761 1.00 0.00 H ATOM 1267 HD22 LEU A 85 20.327 3.835 -3.018 1.00 0.00 H ATOM 1268 HD23 LEU A 85 21.422 2.559 -3.604 1.00 0.00 H ATOM 1269 HD11 LEU A 85 18.773 0.444 -5.085 1.00 0.00 H ATOM 1270 HD12 LEU A 85 19.726 1.639 -5.999 1.00 0.00 H ATOM 1271 HD13 LEU A 85 20.523 0.598 -4.794 1.00 0.00 H ATOM 1272 H LEU A 85 16.778 2.303 -2.163 1.00 0.00 H ATOM 1273 N LEU A 86 15.480 4.656 -4.025 1.00 0.00 N ATOM 1274 CA LEU A 86 14.497 5.555 -4.624 1.00 0.00 C ATOM 1275 C LEU A 86 14.221 6.779 -3.753 1.00 0.00 C ATOM 1276 O LEU A 86 13.990 7.874 -4.265 1.00 0.00 O ATOM 1277 CB LEU A 86 13.193 4.797 -4.888 1.00 0.00 C ATOM 1278 CG LEU A 86 13.146 4.066 -6.229 1.00 0.00 C ATOM 1279 CD1 LEU A 86 11.943 3.141 -6.295 1.00 0.00 C ATOM 1280 CD2 LEU A 86 13.117 5.067 -7.374 1.00 0.00 C ATOM 1281 HA LEU A 86 14.915 5.915 -5.564 1.00 0.00 H ATOM 1282 HB2 LEU A 86 13.059 4.062 -4.094 1.00 0.00 H ATOM 1283 HB3 LEU A 86 12.371 5.513 -4.861 1.00 0.00 H ATOM 1284 HG LEU A 86 14.046 3.458 -6.323 1.00 0.00 H ATOM 1285 HD21 LEU A 86 12.233 5.698 -7.281 1.00 0.00 H ATOM 1286 HD22 LEU A 86 14.013 5.686 -7.336 1.00 0.00 H ATOM 1287 HD23 LEU A 86 13.084 4.531 -8.323 1.00 0.00 H ATOM 1288 HD11 LEU A 86 12.008 2.405 -5.494 1.00 0.00 H ATOM 1289 HD12 LEU A 86 11.030 3.725 -6.180 1.00 0.00 H ATOM 1290 HD13 LEU A 86 11.930 2.632 -7.259 1.00 0.00 H ATOM 1291 H LEU A 86 15.187 3.697 -3.749 1.00 0.00 H ATOM 1292 N LYS A 87 14.223 6.588 -2.440 1.00 0.00 N ATOM 1293 CA LYS A 87 13.948 7.678 -1.510 1.00 0.00 C ATOM 1294 C LYS A 87 15.096 8.684 -1.426 1.00 0.00 C ATOM 1295 O LYS A 87 14.863 9.885 -1.287 1.00 0.00 O ATOM 1296 CB LYS A 87 13.656 7.116 -0.118 1.00 0.00 C ATOM 1297 CG LYS A 87 12.253 6.547 0.019 1.00 0.00 C ATOM 1298 CD LYS A 87 12.130 5.653 1.243 1.00 0.00 C ATOM 1299 CE LYS A 87 10.675 5.380 1.590 1.00 0.00 C ATOM 1300 NZ LYS A 87 10.072 6.494 2.373 1.00 0.00 N ATOM 1301 HA LYS A 87 13.076 8.210 -1.892 1.00 0.00 H ATOM 1302 HB2 LYS A 87 14.373 6.323 0.093 1.00 0.00 H ATOM 1303 HB3 LYS A 87 13.777 7.917 0.611 1.00 0.00 H ATOM 1304 HG2 LYS A 87 11.544 7.370 0.109 1.00 0.00 H ATOM 1305 HG3 LYS A 87 12.019 5.963 -0.871 1.00 0.00 H ATOM 1306 HD2 LYS A 87 12.630 4.706 1.042 1.00 0.00 H ATOM 1307 HD3 LYS A 87 12.610 6.143 2.090 1.00 0.00 H ATOM 1308 HE2 LYS A 87 10.619 4.464 2.179 1.00 0.00 H ATOM 1309 HE3 LYS A 87 10.110 5.252 0.667 1.00 0.00 H ATOM 1310 HZ1 LYS A 87 10.601 6.619 3.260 1.00 0.00 H ATOM 1311 HZ2 LYS A 87 10.115 7.371 1.816 1.00 0.00 H ATOM 1312 HZ3 LYS A 87 9.080 6.267 2.588 1.00 0.00 H ATOM 1313 H LYS A 87 14.425 5.639 -2.065 1.00 0.00 H ATOM 1314 N THR A 88 16.329 8.197 -1.475 1.00 0.00 N ATOM 1315 CA THR A 88 17.500 9.068 -1.368 1.00 0.00 C ATOM 1316 C THR A 88 17.713 9.943 -2.607 1.00 0.00 C ATOM 1317 O THR A 88 18.319 11.008 -2.510 1.00 0.00 O ATOM 1318 CB THR A 88 18.754 8.226 -1.117 1.00 0.00 C ATOM 1319 OG1 THR A 88 19.896 9.056 -0.989 1.00 0.00 O ATOM 1320 CG2 THR A 88 19.032 7.232 -2.222 1.00 0.00 C ATOM 1321 HA THR A 88 17.316 9.739 -0.529 1.00 0.00 H ATOM 1322 HB THR A 88 18.559 7.678 -0.195 1.00 0.00 H ATOM 1323 HG1 THR A 88 20.020 9.576 -1.822 1.00 0.00 H ATOM 1324 HG23 THR A 88 18.169 6.577 -2.345 1.00 0.00 H ATOM 1325 HG21 THR A 88 19.219 7.768 -3.153 1.00 0.00 H ATOM 1326 HG22 THR A 88 19.907 6.637 -1.962 1.00 0.00 H ATOM 1327 H THR A 88 16.467 7.173 -1.592 1.00 0.00 H ATOM 1328 N PHE A 89 17.250 9.488 -3.778 1.00 0.00 N ATOM 1329 CA PHE A 89 17.434 10.244 -5.032 1.00 0.00 C ATOM 1330 C PHE A 89 17.021 11.718 -4.903 1.00 0.00 C ATOM 1331 O PHE A 89 16.115 12.063 -4.142 1.00 0.00 O ATOM 1332 CB PHE A 89 16.657 9.589 -6.178 1.00 0.00 C ATOM 1333 CG PHE A 89 17.257 8.298 -6.683 1.00 0.00 C ATOM 1334 CD1 PHE A 89 18.632 8.145 -6.835 1.00 0.00 C ATOM 1335 CD2 PHE A 89 16.433 7.234 -7.010 1.00 0.00 C ATOM 1336 CE1 PHE A 89 19.163 6.954 -7.299 1.00 0.00 C ATOM 1337 CE2 PHE A 89 16.960 6.045 -7.474 1.00 0.00 C ATOM 1338 CZ PHE A 89 18.326 5.905 -7.619 1.00 0.00 C ATOM 1339 HA PHE A 89 18.501 10.221 -5.252 1.00 0.00 H ATOM 1340 HB2 PHE A 89 15.645 9.381 -5.829 1.00 0.00 H ATOM 1341 HB3 PHE A 89 16.616 10.294 -7.009 1.00 0.00 H ATOM 1342 HD2 PHE A 89 15.353 7.337 -6.900 1.00 0.00 H ATOM 1343 HE2 PHE A 89 16.298 5.217 -7.726 1.00 0.00 H ATOM 1344 HZ PHE A 89 18.743 4.967 -7.986 1.00 0.00 H ATOM 1345 HE1 PHE A 89 20.242 6.845 -7.412 1.00 0.00 H ATOM 1346 HD1 PHE A 89 19.297 8.972 -6.586 1.00 0.00 H ATOM 1347 H PHE A 89 16.747 8.578 -3.805 1.00 0.00 H ATOM 1348 N GLN A 90 17.712 12.574 -5.652 1.00 0.00 N ATOM 1349 CA GLN A 90 17.453 14.015 -5.638 1.00 0.00 C ATOM 1350 C GLN A 90 16.047 14.340 -6.206 1.00 0.00 C ATOM 1351 O GLN A 90 15.088 13.648 -5.863 1.00 0.00 O ATOM 1352 CB GLN A 90 18.592 14.721 -6.389 1.00 0.00 C ATOM 1353 CG GLN A 90 19.966 14.437 -5.803 1.00 0.00 C ATOM 1354 CD GLN A 90 21.035 15.370 -6.337 1.00 0.00 C ATOM 1355 OE1 GLN A 90 21.600 16.175 -5.597 1.00 0.00 O ATOM 1356 NE2 GLN A 90 21.319 15.267 -7.630 1.00 0.00 N ATOM 1357 HA GLN A 90 17.439 14.388 -4.614 1.00 0.00 H ATOM 1358 HB2 GLN A 90 18.582 14.387 -7.426 1.00 0.00 H ATOM 1359 HB3 GLN A 90 18.416 15.796 -6.353 1.00 0.00 H ATOM 1360 HG2 GLN A 90 19.914 14.550 -4.720 1.00 0.00 H ATOM 1361 HG3 GLN A 90 20.244 13.412 -6.047 1.00 0.00 H ATOM 1362 HE22 GLN A 90 20.817 14.572 -8.219 1.00 0.00 H ATOM 1363 HE21 GLN A 90 22.044 15.881 -8.054 1.00 0.00 H ATOM 1364 H GLN A 90 18.463 12.206 -6.270 1.00 0.00 H ATOM 1365 N ASN A 91 15.894 15.390 -7.042 1.00 0.00 N ATOM 1366 CA ASN A 91 14.579 15.747 -7.578 1.00 0.00 C ATOM 1367 C ASN A 91 14.187 14.888 -8.779 1.00 0.00 C ATOM 1368 O ASN A 91 13.274 14.067 -8.692 1.00 0.00 O ATOM 1369 CB ASN A 91 14.559 17.224 -7.979 1.00 0.00 C ATOM 1370 CG ASN A 91 14.729 18.148 -6.790 1.00 0.00 C ATOM 1371 OD1 ASN A 91 15.492 17.859 -5.868 1.00 0.00 O ATOM 1372 ND2 ASN A 91 14.016 19.269 -6.804 1.00 0.00 N ATOM 1373 HA ASN A 91 13.851 15.563 -6.788 1.00 0.00 H ATOM 1374 HB2 ASN A 91 15.370 17.407 -8.683 1.00 0.00 H ATOM 1375 HB3 ASN A 91 13.606 17.444 -8.460 1.00 0.00 H ATOM 1376 HD22 ASN A 91 13.383 19.473 -7.604 1.00 0.00 H ATOM 1377 HD21 ASN A 91 14.090 19.943 -6.015 1.00 0.00 H ATOM 1378 H ASN A 91 16.725 15.955 -7.310 1.00 0.00 H ATOM 1379 N THR A 92 14.871 15.088 -9.907 1.00 0.00 N ATOM 1380 CA THR A 92 14.572 14.335 -11.122 1.00 0.00 C ATOM 1381 C THR A 92 15.078 12.899 -11.016 1.00 0.00 C ATOM 1382 O THR A 92 16.269 12.663 -10.816 1.00 0.00 O ATOM 1383 CB THR A 92 15.188 15.020 -12.347 1.00 0.00 C ATOM 1384 OG1 THR A 92 15.414 16.396 -12.095 1.00 0.00 O ATOM 1385 CG2 THR A 92 14.320 14.921 -13.581 1.00 0.00 C ATOM 1386 HA THR A 92 13.489 14.310 -11.240 1.00 0.00 H ATOM 1387 HB THR A 92 16.125 14.494 -12.532 1.00 0.00 H ATOM 1388 HG1 THR A 92 15.811 16.817 -12.898 1.00 0.00 H ATOM 1389 HG23 THR A 92 14.126 13.872 -13.804 1.00 0.00 H ATOM 1390 HG21 THR A 92 13.376 15.436 -13.402 1.00 0.00 H ATOM 1391 HG22 THR A 92 14.834 15.384 -14.423 1.00 0.00 H ATOM 1392 H THR A 92 15.633 15.795 -9.921 1.00 0.00 H ATOM 1393 N VAL A 93 14.160 11.942 -11.149 1.00 0.00 N ATOM 1394 CA VAL A 93 14.505 10.528 -11.068 1.00 0.00 C ATOM 1395 C VAL A 93 14.322 9.842 -12.419 1.00 0.00 C ATOM 1396 O VAL A 93 13.199 9.681 -12.894 1.00 0.00 O ATOM 1397 CB VAL A 93 13.642 9.796 -10.017 1.00 0.00 C ATOM 1398 CG1 VAL A 93 14.160 8.384 -9.784 1.00 0.00 C ATOM 1399 CG2 VAL A 93 13.598 10.572 -8.708 1.00 0.00 C ATOM 1400 HA VAL A 93 15.552 10.475 -10.770 1.00 0.00 H ATOM 1401 HB VAL A 93 12.626 9.731 -10.405 1.00 0.00 H ATOM 1402 HG11 VAL A 93 14.125 7.826 -10.720 1.00 0.00 H ATOM 1403 HG12 VAL A 93 15.188 8.430 -9.426 1.00 0.00 H ATOM 1404 HG13 VAL A 93 13.537 7.888 -9.040 1.00 0.00 H ATOM 1405 HG21 VAL A 93 14.610 10.679 -8.316 1.00 0.00 H ATOM 1406 HG22 VAL A 93 13.170 11.558 -8.886 1.00 0.00 H ATOM 1407 HG23 VAL A 93 12.983 10.032 -7.988 1.00 0.00 H ATOM 1408 H VAL A 93 13.169 12.212 -11.315 1.00 0.00 H ATOM 1409 N GLU A 94 15.430 9.431 -13.030 1.00 0.00 N ATOM 1410 CA GLU A 94 15.384 8.751 -14.320 1.00 0.00 C ATOM 1411 C GLU A 94 15.354 7.240 -14.113 1.00 0.00 C ATOM 1412 O GLU A 94 16.200 6.687 -13.411 1.00 0.00 O ATOM 1413 CB GLU A 94 16.588 9.146 -15.180 1.00 0.00 C ATOM 1414 CG GLU A 94 17.919 9.036 -14.454 1.00 0.00 C ATOM 1415 CD GLU A 94 19.105 9.210 -15.382 1.00 0.00 C ATOM 1416 OE1 GLU A 94 19.301 10.333 -15.891 1.00 0.00 O ATOM 1417 OE2 GLU A 94 19.840 8.223 -15.598 1.00 0.00 O ATOM 1418 HA GLU A 94 14.476 9.054 -14.841 1.00 0.00 H ATOM 1419 HB2 GLU A 94 16.617 8.494 -16.053 1.00 0.00 H ATOM 1420 HB3 GLU A 94 16.456 10.178 -15.504 1.00 0.00 H ATOM 1421 HG2 GLU A 94 17.962 9.806 -13.684 1.00 0.00 H ATOM 1422 HG3 GLU A 94 17.982 8.053 -13.987 1.00 0.00 H ATOM 1423 H GLU A 94 16.351 9.598 -12.577 1.00 0.00 H ATOM 1424 N LEU A 95 14.360 6.581 -14.706 1.00 0.00 N ATOM 1425 CA LEU A 95 14.207 5.135 -14.560 1.00 0.00 C ATOM 1426 C LEU A 95 14.022 4.443 -15.910 1.00 0.00 C ATOM 1427 O LEU A 95 13.634 5.068 -16.896 1.00 0.00 O ATOM 1428 CB LEU A 95 13.005 4.832 -13.663 1.00 0.00 C ATOM 1429 CG LEU A 95 13.230 5.113 -12.167 1.00 0.00 C ATOM 1430 CD1 LEU A 95 12.039 5.836 -11.553 1.00 0.00 C ATOM 1431 CD2 LEU A 95 13.507 3.823 -11.407 1.00 0.00 C ATOM 1432 HA LEU A 95 15.121 4.749 -14.108 1.00 0.00 H ATOM 1433 HB2 LEU A 95 12.167 5.442 -14.001 1.00 0.00 H ATOM 1434 HB3 LEU A 95 12.754 3.777 -13.776 1.00 0.00 H ATOM 1435 HG LEU A 95 14.102 5.761 -12.085 1.00 0.00 H ATOM 1436 HD21 LEU A 95 12.656 3.150 -11.513 1.00 0.00 H ATOM 1437 HD22 LEU A 95 14.400 3.348 -11.813 1.00 0.00 H ATOM 1438 HD23 LEU A 95 13.662 4.050 -10.352 1.00 0.00 H ATOM 1439 HD11 LEU A 95 11.889 6.786 -12.066 1.00 0.00 H ATOM 1440 HD12 LEU A 95 11.147 5.219 -11.660 1.00 0.00 H ATOM 1441 HD13 LEU A 95 12.232 6.019 -10.496 1.00 0.00 H ATOM 1442 H LEU A 95 13.677 7.108 -15.287 1.00 0.00 H ATOM 1443 N ILE A 96 14.288 3.139 -15.929 1.00 0.00 N ATOM 1444 CA ILE A 96 14.139 2.330 -17.135 1.00 0.00 C ATOM 1445 C ILE A 96 13.107 1.227 -16.900 1.00 0.00 C ATOM 1446 O ILE A 96 13.181 0.505 -15.905 1.00 0.00 O ATOM 1447 CB ILE A 96 15.481 1.691 -17.565 1.00 0.00 C ATOM 1448 CG1 ILE A 96 16.575 2.755 -17.654 1.00 0.00 C ATOM 1449 CG2 ILE A 96 15.335 0.973 -18.900 1.00 0.00 C ATOM 1450 CD1 ILE A 96 17.959 2.178 -17.857 1.00 0.00 C ATOM 1451 HA ILE A 96 13.804 2.991 -17.934 1.00 0.00 H ATOM 1452 HB ILE A 96 15.766 0.958 -16.810 1.00 0.00 H ATOM 1453 HG12 ILE A 96 16.349 3.414 -18.492 1.00 0.00 H ATOM 1454 HG13 ILE A 96 16.573 3.331 -16.729 1.00 0.00 H ATOM 1455 HD11 ILE A 96 18.205 1.524 -17.020 1.00 0.00 H ATOM 1456 HD12 ILE A 96 17.981 1.607 -18.785 1.00 0.00 H ATOM 1457 HD13 ILE A 96 18.685 2.989 -17.911 1.00 0.00 H ATOM 1458 HG21 ILE A 96 14.585 0.188 -18.809 1.00 0.00 H ATOM 1459 HG22 ILE A 96 15.025 1.687 -19.663 1.00 0.00 H ATOM 1460 HG23 ILE A 96 16.292 0.532 -19.181 1.00 0.00 H ATOM 1461 H ILE A 96 14.613 2.680 -15.054 1.00 0.00 H ATOM 1462 N ILE A 97 12.137 1.111 -17.805 1.00 0.00 N ATOM 1463 CA ILE A 97 11.086 0.101 -17.675 1.00 0.00 C ATOM 1464 C ILE A 97 10.981 -0.775 -18.922 1.00 0.00 C ATOM 1465 O ILE A 97 11.533 -0.448 -19.976 1.00 0.00 O ATOM 1466 CB ILE A 97 9.719 0.751 -17.399 1.00 0.00 C ATOM 1467 CG1 ILE A 97 9.399 1.798 -18.466 1.00 0.00 C ATOM 1468 CG2 ILE A 97 9.705 1.378 -16.013 1.00 0.00 C ATOM 1469 CD1 ILE A 97 7.997 2.357 -18.356 1.00 0.00 C ATOM 1470 HA ILE A 97 11.365 -0.527 -16.829 1.00 0.00 H ATOM 1471 HB ILE A 97 8.951 -0.022 -17.438 1.00 0.00 H ATOM 1472 HG12 ILE A 97 10.108 2.620 -18.368 1.00 0.00 H ATOM 1473 HG13 ILE A 97 9.512 1.338 -19.448 1.00 0.00 H ATOM 1474 HD11 ILE A 97 7.275 1.547 -18.463 1.00 0.00 H ATOM 1475 HD12 ILE A 97 7.872 2.831 -17.383 1.00 0.00 H ATOM 1476 HD13 ILE A 97 7.838 3.094 -19.143 1.00 0.00 H ATOM 1477 HG21 ILE A 97 9.892 0.607 -15.265 1.00 0.00 H ATOM 1478 HG22 ILE A 97 10.482 2.140 -15.953 1.00 0.00 H ATOM 1479 HG23 ILE A 97 8.732 1.834 -15.832 1.00 0.00 H ATOM 1480 H ILE A 97 12.126 1.753 -18.623 1.00 0.00 H ATOM 1481 N VAL A 98 10.276 -1.897 -18.783 1.00 0.00 N ATOM 1482 CA VAL A 98 10.100 -2.840 -19.883 1.00 0.00 C ATOM 1483 C VAL A 98 8.713 -3.488 -19.852 1.00 0.00 C ATOM 1484 O VAL A 98 8.128 -3.688 -18.786 1.00 0.00 O ATOM 1485 CB VAL A 98 11.182 -3.948 -19.826 1.00 0.00 C ATOM 1486 CG1 VAL A 98 11.083 -4.898 -21.020 1.00 0.00 C ATOM 1487 CG2 VAL A 98 12.568 -3.323 -19.748 1.00 0.00 C ATOM 1488 HA VAL A 98 10.200 -2.277 -20.811 1.00 0.00 H ATOM 1489 HB VAL A 98 11.009 -4.539 -18.927 1.00 0.00 H ATOM 1490 HG11 VAL A 98 10.103 -5.375 -21.023 1.00 0.00 H ATOM 1491 HG12 VAL A 98 11.217 -4.334 -21.943 1.00 0.00 H ATOM 1492 HG13 VAL A 98 11.859 -5.660 -20.942 1.00 0.00 H ATOM 1493 HG21 VAL A 98 12.736 -2.703 -20.629 1.00 0.00 H ATOM 1494 HG22 VAL A 98 12.638 -2.708 -18.851 1.00 0.00 H ATOM 1495 HG23 VAL A 98 13.319 -4.112 -19.708 1.00 0.00 H ATOM 1496 H VAL A 98 9.838 -2.107 -17.863 1.00 0.00 H ATOM 1497 N ARG A 99 8.209 -3.825 -21.035 1.00 0.00 N ATOM 1498 CA ARG A 99 6.910 -4.470 -21.175 1.00 0.00 C ATOM 1499 C ARG A 99 7.110 -5.885 -21.729 1.00 0.00 C ATOM 1500 O ARG A 99 7.604 -6.056 -22.843 1.00 0.00 O ATOM 1501 CB ARG A 99 6.002 -3.636 -22.097 1.00 0.00 C ATOM 1502 CG ARG A 99 4.832 -2.984 -21.371 1.00 0.00 C ATOM 1503 CD ARG A 99 5.113 -1.529 -21.002 1.00 0.00 C ATOM 1504 NE ARG A 99 4.231 -0.597 -21.711 1.00 0.00 N ATOM 1505 CZ ARG A 99 4.488 -0.064 -22.911 1.00 0.00 C ATOM 1506 NH1 ARG A 99 5.602 -0.359 -23.575 1.00 0.00 N ATOM 1507 NH2 ARG A 99 3.615 0.770 -23.455 1.00 0.00 N ATOM 1508 HA ARG A 99 6.423 -4.539 -20.202 1.00 0.00 H ATOM 1509 HB2 ARG A 99 6.604 -2.852 -22.556 1.00 0.00 H ATOM 1510 HB3 ARG A 99 5.605 -4.290 -22.874 1.00 0.00 H ATOM 1511 HG2 ARG A 99 3.955 -3.018 -22.018 1.00 0.00 H ATOM 1512 HG3 ARG A 99 4.630 -3.544 -20.458 1.00 0.00 H ATOM 1513 HD2 ARG A 99 6.147 -1.296 -21.256 1.00 0.00 H ATOM 1514 HD3 ARG A 99 4.966 -1.404 -19.929 1.00 0.00 H ATOM 1515 HE ARG A 99 3.339 -0.330 -21.247 1.00 0.00 H ATOM 1516 HH12 ARG A 99 5.781 0.068 -24.507 1.00 0.00 H ATOM 1517 HH11 ARG A 99 6.295 -1.016 -23.163 1.00 0.00 H ATOM 1518 HH22 ARG A 99 3.807 1.189 -24.387 1.00 0.00 H ATOM 1519 HH21 ARG A 99 2.737 1.006 -22.950 1.00 0.00 H ATOM 1520 H ARG A 99 8.762 -3.621 -21.892 1.00 0.00 H ATOM 1521 N GLU A 100 6.748 -6.897 -20.940 1.00 0.00 N ATOM 1522 CA GLU A 100 6.915 -8.288 -21.357 1.00 0.00 C ATOM 1523 C GLU A 100 6.072 -8.612 -22.586 1.00 0.00 C ATOM 1524 O GLU A 100 5.181 -7.850 -22.961 1.00 0.00 O ATOM 1525 CB GLU A 100 6.550 -9.228 -20.209 1.00 0.00 C ATOM 1526 CG GLU A 100 7.445 -9.068 -18.992 1.00 0.00 C ATOM 1527 CD GLU A 100 8.738 -9.851 -19.111 1.00 0.00 C ATOM 1528 OE1 GLU A 100 8.669 -11.083 -19.305 1.00 0.00 O ATOM 1529 OE2 GLU A 100 9.818 -9.232 -19.011 1.00 0.00 O ATOM 1530 HA GLU A 100 7.962 -8.431 -21.624 1.00 0.00 H ATOM 1531 HB2 GLU A 100 5.521 -9.027 -19.911 1.00 0.00 H ATOM 1532 HB3 GLU A 100 6.630 -10.255 -20.564 1.00 0.00 H ATOM 1533 HG2 GLU A 100 7.686 -8.012 -18.872 1.00 0.00 H ATOM 1534 HG3 GLU A 100 6.904 -9.418 -18.113 1.00 0.00 H ATOM 1535 H GLU A 100 6.337 -6.692 -20.007 1.00 0.00 H ATOM 1536 N VAL A 101 6.363 -9.754 -23.203 1.00 0.00 N ATOM 1537 CA VAL A 101 5.637 -10.197 -24.389 1.00 0.00 C ATOM 1538 C VAL A 101 5.596 -11.721 -24.467 1.00 0.00 C ATOM 1539 O VAL A 101 6.609 -12.364 -24.737 1.00 0.00 O ATOM 1540 CB VAL A 101 6.268 -9.645 -25.687 1.00 0.00 C ATOM 1541 CG1 VAL A 101 5.902 -8.181 -25.877 1.00 0.00 C ATOM 1542 CG2 VAL A 101 7.780 -9.825 -25.680 1.00 0.00 C ATOM 1543 HA VAL A 101 4.623 -9.808 -24.298 1.00 0.00 H ATOM 1544 HB VAL A 101 5.867 -10.213 -26.526 1.00 0.00 H ATOM 1545 HG11 VAL A 101 4.818 -8.084 -25.941 1.00 0.00 H ATOM 1546 HG12 VAL A 101 6.271 -7.603 -25.030 1.00 0.00 H ATOM 1547 HG13 VAL A 101 6.356 -7.811 -26.796 1.00 0.00 H ATOM 1548 HG21 VAL A 101 8.204 -9.290 -24.830 1.00 0.00 H ATOM 1549 HG22 VAL A 101 8.018 -10.886 -25.599 1.00 0.00 H ATOM 1550 HG23 VAL A 101 8.196 -9.427 -26.606 1.00 0.00 H ATOM 1551 H VAL A 101 7.130 -10.348 -22.829 1.00 0.00 H ATOM 1552 N SER A 102 4.419 -12.292 -24.228 1.00 0.00 N ATOM 1553 CA SER A 102 4.251 -13.741 -24.270 1.00 0.00 C ATOM 1554 C SER A 102 2.839 -14.113 -24.710 1.00 0.00 C ATOM 1555 O SER A 102 1.875 -13.909 -23.974 1.00 0.00 O ATOM 1556 CB SER A 102 4.544 -14.349 -22.897 1.00 0.00 C ATOM 1557 OG SER A 102 4.489 -15.764 -22.943 1.00 0.00 O ATOM 1558 HA SER A 102 4.957 -14.142 -24.997 1.00 0.00 H ATOM 1559 HB2 SER A 102 3.805 -13.987 -22.182 1.00 0.00 H ATOM 1560 HB3 SER A 102 5.539 -14.041 -22.576 1.00 0.00 H ATOM 1561 HG SER A 102 4.682 -16.130 -22.044 1.00 0.00 H ATOM 1562 H SER A 102 3.599 -11.692 -24.006 1.00 0.00 H ATOM 1563 N SER A 103 2.725 -14.660 -25.916 1.00 0.00 N ATOM 1564 CA SER A 103 1.431 -15.061 -26.455 1.00 0.00 C ATOM 1565 C SER A 103 1.201 -16.556 -26.256 1.00 0.00 C ATOM 1566 O SER A 103 0.039 -16.949 -26.023 1.00 0.00 O ATOM 1567 CB SER A 103 1.345 -14.715 -27.942 1.00 0.00 C ATOM 1568 OG SER A 103 0.006 -14.780 -28.405 1.00 0.00 O ATOM 1569 HA SER A 103 0.656 -14.516 -25.917 1.00 0.00 H ATOM 1570 OXT SER A 103 2.185 -17.321 -26.336 1.00 0.00 O ATOM 1571 HB2 SER A 103 1.952 -15.421 -28.508 1.00 0.00 H ATOM 1572 HB3 SER A 103 1.726 -13.706 -28.096 1.00 0.00 H ATOM 1573 HG SER A 103 -0.020 -14.552 -29.368 1.00 0.00 H ATOM 1574 H SER A 103 3.580 -14.806 -26.490 1.00 0.00 H TER 1575 SER A 103 HETATM 1576 N THR A 1 -2.244 -7.633 5.341 1.00 0.24 N HETATM 1577 CA THR A 1 -1.053 -8.279 4.730 1.00 0.09 C HETATM 1578 C THR A 1 0.104 -7.294 4.602 1.00 0.23 C HETATM 1579 O THR A 1 1.152 -7.467 5.226 1.00 -0.39 O HETATM 1580 N THR A 1 -0.095 -6.259 3.790 1.00 -0.26 N HETATM 1581 CA THR A 1 0.937 -5.257 3.592 1.00 0.12 C HETATM 1582 C THR A 1 2.027 -5.723 2.646 1.00 0.20 C HETATM 1583 O THR A 1 2.568 -6.816 2.803 1.00 -0.39 O HETATM 1584 N THR A 1 2.351 -4.888 1.662 1.00 -0.26 N HETATM 1585 CA THR A 1 3.388 -5.218 0.688 1.00 0.14 C HETATM 1586 C THR A 1 3.738 -4.008 -0.173 1.00 0.21 C HETATM 1587 O THR A 1 4.909 -3.750 -0.448 1.00 -0.39 O HETATM 1588 N THR A 1 2.719 -3.266 -0.598 1.00 -0.26 N HETATM 1589 CA THR A 1 2.935 -2.082 -1.427 1.00 0.13 C HETATM 1590 C THR A 1 3.543 -0.948 -0.607 1.00 0.20 C HETATM 1591 O THR A 1 3.056 -0.622 0.476 1.00 -0.39 O HETATM 1592 N THR A 1 4.607 -0.349 -1.134 1.00 -0.26 N HETATM 1593 CA THR A 1 5.286 0.753 -0.459 1.00 0.16 C HETATM 1594 C THR A 1 5.323 1.989 -1.352 1.00 0.21 C HETATM 1595 O THR A 1 5.874 1.955 -2.452 1.00 -0.39 O HETATM 1596 N THR A 1 4.731 3.078 -0.874 1.00 -0.26 N HETATM 1597 CA THR A 1 4.694 4.322 -1.632 1.00 0.14 C HETATM 1598 C THR A 1 5.965 5.135 -1.408 1.00 0.20 C HETATM 1599 O THR A 1 6.227 5.604 -0.300 1.00 -0.39 O HETATM 1600 N THR A 1 6.752 5.293 -2.468 1.00 -0.27 N HETATM 1601 CA THR A 1 7.998 6.045 -2.391 1.00 0.10 C HETATM 1602 C THR A 1 7.772 7.520 -2.710 1.00 0.06 C HETATM 1603 O THR A 1 8.412 8.369 -2.055 1.00 -0.57 O HETATM 1604 OXT THR A 1 6.958 7.813 -3.609 1.00 -0.57 O HETATM 1605 CB THR A 1 9.053 5.476 -3.360 1.00 -0.01 C HETATM 1606 CG1 THR A 1 9.474 4.078 -2.930 1.00 -0.06 C HETATM 1607 H49 THR A 1 10.226 3.689 -3.632 1.00 0.02 H HETATM 1608 H50 THR A 1 8.596 3.415 -2.929 1.00 0.02 H HETATM 1609 H51 THR A 1 9.904 4.119 -1.918 1.00 0.02 H HETATM 1610 CG2 THR A 1 8.523 5.465 -4.786 1.00 -0.06 C HETATM 1611 H52 THR A 1 8.226 6.484 -5.074 1.00 0.02 H HETATM 1612 H53 THR A 1 7.651 4.797 -4.848 1.00 0.02 H HETATM 1613 H54 THR A 1 9.309 5.106 -5.467 1.00 0.02 H HETATM 1614 H48 THR A 1 9.938 6.128 -3.327 1.00 0.03 H HETATM 1615 H47 THR A 1 8.385 5.964 -1.365 1.00 0.07 H HETATM 1616 H46 THR A 1 6.482 4.885 -3.340 1.00 0.19 H HETATM 1617 CB THR A 1 3.466 5.144 -1.238 1.00 0.00 C HETATM 1618 CG THR A 1 2.176 4.494 -1.635 1.00 -0.04 C HETATM 1619 CD1 THR A 1 1.424 3.637 -0.885 1.00 0.02 C HETATM 1620 NE1 THR A 1 0.312 3.244 -1.590 1.00 -0.29 N HETATM 1621 CE2 THR A 1 0.330 3.849 -2.820 1.00 0.06 C HETATM 1622 CD2 THR A 1 1.490 4.644 -2.884 1.00 -0.02 C HETATM 1623 CE3 THR A 1 1.744 5.374 -4.048 1.00 -0.07 C HETATM 1624 CZ3 THR A 1 0.846 5.288 -5.097 1.00 -0.08 C HETATM 1625 CH2 THR A 1 -0.300 4.489 -5.005 1.00 -0.08 C HETATM 1626 CZ2 THR A 1 -0.572 3.764 -3.877 1.00 -0.04 C HETATM 1627 H43 THR A 1 -1.459 3.145 -3.809 1.00 0.05 H HETATM 1628 H45 THR A 1 -0.985 4.444 -5.844 1.00 0.05 H HETATM 1629 H44 THR A 1 1.033 5.849 -6.006 1.00 0.05 H HETATM 1630 H42 THR A 1 2.628 5.996 -4.128 1.00 0.05 H HETATM 1631 H41 THR A 1 -0.416 2.600 -1.250 1.00 0.22 H HETATM 1632 H40 THR A 1 1.669 3.312 0.125 1.00 0.08 H HETATM 1633 H38 THR A 1 3.529 6.126 -1.729 1.00 0.04 H HETATM 1634 H39 THR A 1 3.470 5.279 -0.146 1.00 0.04 H HETATM 1635 H37 THR A 1 4.622 4.076 -2.702 1.00 0.08 H HETATM 1636 H36 THR A 1 4.300 3.043 0.028 1.00 0.19 H HETATM 1637 CB THR A 1 6.709 0.344 -0.075 1.00 0.09 C HETATM 1638 OG1 THR A 1 6.720 -0.951 0.499 1.00 -0.39 O HETATM 1639 H32 THR A 1 7.611 -1.186 0.730 1.00 0.21 H HETATM 1640 CG2 THR A 1 7.356 1.289 0.914 1.00 -0.03 C HETATM 1641 H33 THR A 1 8.372 0.938 1.146 1.00 0.03 H HETATM 1642 H34 THR A 1 6.759 1.319 1.837 1.00 0.03 H HETATM 1643 H35 THR A 1 7.407 2.298 0.478 1.00 0.03 H HETATM 1644 H31 THR A 1 7.315 0.333 -0.993 1.00 0.06 H HETATM 1645 H30 THR A 1 4.730 0.998 0.458 1.00 0.08 H HETATM 1646 H29 THR A 1 4.952 -0.663 -2.019 1.00 0.19 H HETATM 1647 CB THR A 1 1.619 -1.618 -2.053 1.00 -0.00 C HETATM 1648 CG THR A 1 0.498 -1.442 -1.042 1.00 0.00 C HETATM 1649 CD THR A 1 -0.456 -2.621 -1.013 1.00 0.04 C HETATM 1650 OE1 THR A 1 -1.137 -2.858 -2.032 1.00 -0.57 O HETATM 1651 OE2 THR A 1 -0.521 -3.306 0.029 1.00 -0.57 O HETATM 1652 H27 THR A 1 -0.070 -0.536 -1.301 1.00 0.04 H HETATM 1653 H28 THR A 1 0.941 -1.324 -0.042 1.00 0.04 H HETATM 1654 H25 THR A 1 1.304 -2.365 -2.796 1.00 0.03 H HETATM 1655 H26 THR A 1 1.792 -0.654 -2.553 1.00 0.03 H HETATM 1656 H24 THR A 1 3.635 -2.345 -2.234 1.00 0.08 H HETATM 1657 H23 THR A 1 1.786 -3.524 -0.345 1.00 0.19 H HETATM 1658 CB THR A 1 2.953 -6.389 -0.205 1.00 0.00 C HETATM 1659 CG THR A 1 1.526 -6.311 -0.663 1.00 -0.04 C HETATM 1660 CD1 THR A 1 0.426 -6.770 0.003 1.00 0.02 C HETATM 1661 NE1 THR A 1 -0.709 -6.527 -0.735 1.00 -0.29 N HETATM 1662 CE2 THR A 1 -0.354 -5.903 -1.902 1.00 0.06 C HETATM 1663 CD2 THR A 1 1.046 -5.752 -1.892 1.00 -0.02 C HETATM 1664 CE3 THR A 1 1.663 -5.137 -2.986 1.00 -0.07 C HETATM 1665 CZ3 THR A 1 0.877 -4.699 -4.035 1.00 -0.08 C HETATM 1666 CH2 THR A 1 -0.513 -4.862 -4.015 1.00 -0.08 C HETATM 1667 CZ2 THR A 1 -1.145 -5.461 -2.960 1.00 -0.04 C HETATM 1668 H20 THR A 1 -2.222 -5.587 -2.948 1.00 0.05 H HETATM 1669 H22 THR A 1 -1.101 -4.506 -4.853 1.00 0.05 H HETATM 1670 H21 THR A 1 1.345 -4.221 -4.888 1.00 0.05 H HETATM 1671 H19 THR A 1 2.739 -5.006 -3.011 1.00 0.05 H HETATM 1672 H18 THR A 1 -1.669 -6.774 -0.456 1.00 0.22 H HETATM 1673 H17 THR A 1 0.445 -7.258 0.977 1.00 0.08 H HETATM 1674 H15 THR A 1 3.084 -7.323 0.361 1.00 0.04 H HETATM 1675 H16 THR A 1 3.601 -6.405 -1.094 1.00 0.04 H HETATM 1676 H14 THR A 1 4.290 -5.521 1.240 1.00 0.08 H HETATM 1677 H13 THR A 1 1.873 -4.013 1.588 1.00 0.19 H HETATM 1678 H11 THR A 1 1.392 -5.022 4.566 1.00 0.08 H HETATM 1679 H12 THR A 1 0.473 -4.351 3.176 1.00 0.08 H HETATM 1680 H10 THR A 1 -0.967 -6.170 3.309 1.00 0.19 H HETATM 1681 CB THR A 1 -1.443 -8.820 3.355 1.00 0.11 C HETATM 1682 OG1 THR A 1 -2.743 -9.382 3.388 1.00 -0.38 O HETATM 1683 H6 THR A 1 -2.966 -9.712 2.526 1.00 0.21 H HETATM 1684 CG2 THR A 1 -0.497 -9.886 2.842 1.00 -0.03 C HETATM 1685 H7 THR A 1 -0.834 -10.230 1.853 1.00 0.03 H HETATM 1686 H8 THR A 1 -0.487 -10.735 3.542 1.00 0.03 H HETATM 1687 H9 THR A 1 0.517 -9.467 2.759 1.00 0.03 H HETATM 1688 H5 THR A 1 -1.435 -7.978 2.647 1.00 0.07 H HETATM 1689 H4 THR A 1 -0.733 -9.115 5.369 1.00 0.11 H HETATM 1690 H1 THR A 1 -2.001 -7.271 6.250 1.00 0.20 H HETATM 1691 H2 THR A 1 -2.983 -8.312 5.436 1.00 0.20 H HETATM 1692 H3 THR A 1 -2.556 -6.878 4.751 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 1576 1577 1690 1691 1692 CONECT 1577 1576 1578 1681 1689 CONECT 1578 1577 1579 1580 CONECT 1579 1578 CONECT 1580 1578 1581 1680 CONECT 1581 1580 1582 1678 1679 CONECT 1582 1581 1583 1584 CONECT 1583 1582 CONECT 1584 1582 1585 1677 CONECT 1585 1584 1586 1658 1676 CONECT 1586 1585 1587 1588 CONECT 1587 1586 CONECT 1588 1586 1589 1657 CONECT 1589 1588 1590 1647 1656 CONECT 1590 1589 1591 1592 CONECT 1591 1590 CONECT 1592 1590 1593 1646 CONECT 1593 1592 1594 1637 1645 CONECT 1594 1593 1595 1596 CONECT 1595 1594 CONECT 1596 1594 1597 1636 CONECT 1597 1596 1598 1617 1635 CONECT 1598 1597 1599 1600 CONECT 1599 1598 CONECT 1600 1598 1601 1616 CONECT 1601 1600 1602 1605 1615 CONECT 1602 1601 1603 1604 CONECT 1603 1602 CONECT 1604 1602 CONECT 1605 1601 1606 1610 1614 CONECT 1606 1605 1607 1608 1609 CONECT 1607 1606 CONECT 1608 1606 CONECT 1609 1606 CONECT 1610 1605 1611 1612 1613 CONECT 1611 1610 CONECT 1612 1610 CONECT 1613 1610 CONECT 1614 1605 CONECT 1615 1601 CONECT 1616 1600 CONECT 1617 1597 1618 1633 1634 CONECT 1618 1617 1619 1622 CONECT 1619 1618 1620 1632 CONECT 1620 1619 1621 1631 CONECT 1621 1620 1622 1626 CONECT 1622 1618 1621 1623 CONECT 1623 1622 1624 1630 CONECT 1624 1623 1625 1629 CONECT 1625 1624 1626 1628 CONECT 1626 1621 1625 1627 CONECT 1627 1626 CONECT 1628 1625 CONECT 1629 1624 CONECT 1630 1623 CONECT 1631 1620 CONECT 1632 1619 CONECT 1633 1617 CONECT 1634 1617 CONECT 1635 1597 CONECT 1636 1596 CONECT 1637 1593 1638 1640 1644 CONECT 1638 1637 1639 CONECT 1639 1638 CONECT 1640 1637 1641 1642 1643 CONECT 1641 1640 CONECT 1642 1640 CONECT 1643 1640 CONECT 1644 1637 CONECT 1645 1593 CONECT 1646 1592 CONECT 1647 1589 1648 1654 1655 CONECT 1648 1647 1649 1652 1653 CONECT 1649 1648 1650 1651 CONECT 1650 1649 CONECT 1651 1649 CONECT 1652 1648 CONECT 1653 1648 CONECT 1654 1647 CONECT 1655 1647 CONECT 1656 1589 CONECT 1657 1588 CONECT 1658 1585 1659 1674 1675 CONECT 1659 1658 1660 1663 CONECT 1660 1659 1661 1673 CONECT 1661 1660 1662 1672 CONECT 1662 1661 1663 1667 CONECT 1663 1659 1662 1664 CONECT 1664 1663 1665 1671 CONECT 1665 1664 1666 1670 CONECT 1666 1665 1667 1669 CONECT 1667 1662 1666 1668 CONECT 1668 1667 CONECT 1669 1666 CONECT 1670 1665 CONECT 1671 1664 CONECT 1672 1661 CONECT 1673 1660 CONECT 1674 1658 CONECT 1675 1658 CONECT 1676 1585 CONECT 1677 1584 CONECT 1678 1581 CONECT 1679 1581 CONECT 1680 1580 CONECT 1681 1577 1682 1684 1688 CONECT 1682 1681 1683 CONECT 1683 1682 CONECT 1684 1681 1685 1686 1687 CONECT 1685 1684 CONECT 1686 1684 CONECT 1687 1684 CONECT 1688 1681 CONECT 1689 1577 CONECT 1690 1576 CONECT 1691 1576 CONECT 1692 1576 MASTER 0 0 0 0 0 0 0 0 1691 1 121 8 END
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Protein Sequence Similarity
1mfg
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PDBbind
95aa, >1MFG_1|Chain... at 96%
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
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7-mer
7kme
RCSB PDB
PDBbind
7-mer
8hvp
RCSB PDB
PDBbind
7-mer
6pka
RCSB PDB
PDBbind
7-mer
6p3w
RCSB PDB
PDBbind
7-mer
6oxl
RCSB PDB
PDBbind
7-mer
6om4
RCSB PDB
PDBbind
7-mer
6n3e
RCSB PDB
PDBbind
7-mer
6mqm
RCSB PDB
PDBbind
7-mer
6hld
RCSB PDB
PDBbind
7-mer
6gf3
RCSB PDB
PDBbind
7-mer
6frj
RCSB PDB
PDBbind
7-mer
6cn8
RCSB PDB
PDBbind
7-mer
5n7b
RCSB PDB
PDBbind
7-mer
6dn5
RCSB PDB
PDBbind
7-mer
Entry Information
PDB ID
1n7t
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
99-mer peptide of densin-180-like protein
Ligand Name
7-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
IC50=0.15uM
Release Year
2003
Protein/NA Sequence
Check fasta file
Primary Reference
J.Biol.Chem. v278 pp. 7645-54, 2003
Ligand Properties
Formula
C
4
2
H
5
6
N
9
O
1
2
Molecular Weight
878.947
Exact Mass
878.405
No. of atoms
119
No. of bonds
122
Polar Surface Area
348.88
LOGP Value
0.06 (
Computed with XLOGP3
)
0.30 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 29
No. of Nitrogen and Oxygen Atoms: 21
No. of Rings: 4
Canonical SMILES
OC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)Cc1c[nH]c2c1cccc2)[C@H](O)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)[C@H]([C@H](O)C)[NH3+]
InChI String
InChI=1S/C42H55N9O12/c1-20(2)35(42(62)63)50-39(59)31(16-24-18-45-28-12-8-6-10-26(24)28)49-41(61)36(22(4)53)51-37(57)29(13-14-33(55)56)48-38(58)30(15-23-17-44-27-11-7-5-9-25(23)27)47-32(54)19-46-40(60)34(43)21(3)52/h5-12,17-18,20-22,29-31,34-36,44-45,52-53H,13-16,19,43H2,1-4H3,(H,46,60)(H,47,54)(H,48,58)(H,49,61)(H,50,59)(H,51,57)(H,55,56)(H,62,63)/p+1/t21-,22-,29+,30+,31+,34+,35+,36+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q96RT1
Entrez Gene ID
NCBI Entrez Gene ID:
55914
ASD
Information of known allosteric effects of PDB entries
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