Browse entries in the PDBbind-CN Database
HEADER 6DRG_COMPLEX COMPND 6DRG_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 135 HIS HIS HIS HIS HIS HIS VAL ALA MET SER PHE SER GLY SEQRES 2 A 135 LYS TYR GLN LEU GLN SER GLN GLU ASN PHE GLU ALA PHE SEQRES 3 A 135 MET LYS ALA ILE GLY LEU PRO GLU GLU LEU ILE GLN LYS SEQRES 4 A 135 GLY LYS ASP ILE LYS GLY VAL SER GLU ILE VAL GLN ASN SEQRES 5 A 135 GLY LYS HIS PHE LYS PHE THR ILE THR ALA GLY SER LYS SEQRES 6 A 135 VAL ILE GLN ASN GLU PHE THR VAL GLY GLU GLU CYS GLU SEQRES 7 A 135 LEU GLU THR MET THR GLY GLU LYS VAL LYS THR VAL VAL SEQRES 8 A 135 GLN LEU GLU GLY ASP ASN LYS LEU VAL THR THR PHE LYS SEQRES 9 A 135 ASN ILE LYS SER VAL THR GLU LEU ASN GLY ASP ILE ILE SEQRES 10 A 135 THR ASN THR MET THR LEU GLY ASP ILE VAL PHE LYS ARG SEQRES 11 A 135 ILE SER LYS ARG ILE HET MOL A 136 80 ATOM 1 N HIS A -7 -28.980 -6.399 12.999 1.00 43.14 N ATOM 2 CA HIS A -7 -27.908 -6.864 12.056 1.00 74.42 C ATOM 3 C HIS A -7 -27.235 -5.534 11.629 1.00 53.03 C ATOM 4 O HIS A -7 -27.942 -4.606 11.229 1.00 71.00 O ATOM 5 CB HIS A -7 -28.512 -7.606 10.841 1.00 62.10 C ATOM 6 CG HIS A -7 -29.348 -8.818 11.186 1.00 52.30 C ATOM 7 ND1 HIS A -7 -28.798 -9.995 11.662 1.00 23.41 N ATOM 8 CD2 HIS A -7 -30.706 -9.048 11.112 1.00 20.12 C ATOM 9 CE1 HIS A -7 -29.806 -10.848 11.862 1.00 51.22 C ATOM 10 NE2 HIS A -7 -30.994 -10.339 11.559 1.00 25.15 N ATOM 11 HN3 HIS A -7 -29.629 -5.761 12.496 1.00 0.00 H ATOM 12 HN2 HIS A -7 -28.543 -5.893 13.796 1.00 0.00 H ATOM 13 HN1 HIS A -7 -29.507 -7.222 13.356 1.00 0.00 H ATOM 14 N HIS A -6 -25.884 -5.507 11.612 1.00 61.24 N ATOM 15 CA HIS A -6 -25.016 -4.362 11.278 1.00 32.22 C ATOM 16 C HIS A -6 -25.359 -3.069 12.049 1.00 43.03 C ATOM 17 O HIS A -6 -26.234 -2.318 11.616 1.00 63.42 O ATOM 18 CB HIS A -6 -24.975 -4.117 9.749 1.00 42.22 C ATOM 19 CG HIS A -6 -23.834 -4.785 9.021 1.00 61.31 C ATOM 20 ND1 HIS A -6 -24.011 -5.494 7.845 1.00 50.01 N ATOM 21 CD2 HIS A -6 -22.474 -4.782 9.250 1.00 41.23 C ATOM 22 CE1 HIS A -6 -22.799 -5.876 7.428 1.00 23.24 C ATOM 23 NE2 HIS A -6 -21.820 -5.480 8.232 1.00 53.24 N ATOM 24 H HIS A -6 -25.402 -6.394 11.863 1.00 0.00 H ATOM 25 N HIS A -5 -24.650 -2.827 13.162 1.00 3.32 N ATOM 26 CA HIS A -5 -24.804 -1.630 13.987 1.00 55.23 C ATOM 27 C HIS A -5 -23.452 -0.917 14.108 1.00 53.42 C ATOM 28 O HIS A -5 -22.507 -1.502 14.637 1.00 1.14 O ATOM 29 CB HIS A -5 -25.364 -2.028 15.368 1.00 32.43 C ATOM 30 CG HIS A -5 -25.608 -0.867 16.300 1.00 31.45 C ATOM 31 ND1 HIS A -5 -26.617 0.058 16.097 1.00 51.12 N ATOM 32 CD2 HIS A -5 -24.961 -0.463 17.447 1.00 34.14 C ATOM 33 CE1 HIS A -5 -26.535 0.954 17.085 1.00 0.32 C ATOM 34 NE2 HIS A -5 -25.554 0.701 17.941 1.00 31.34 N ATOM 35 H HIS A -5 -23.947 -3.535 13.456 1.00 0.00 H ATOM 36 N HIS A -4 -23.413 0.340 13.640 1.00 72.43 N ATOM 37 CA HIS A -4 -22.274 1.254 13.732 1.00 73.41 C ATOM 38 C HIS A -4 -22.760 2.710 13.668 1.00 1.02 C ATOM 39 O HIS A -4 -23.849 2.979 13.158 1.00 44.43 O ATOM 40 CB HIS A -4 -21.243 0.973 12.612 1.00 24.11 C ATOM 41 CG HIS A -4 -20.320 -0.195 12.859 1.00 22.35 C ATOM 42 ND1 HIS A -4 -19.529 -0.303 13.991 1.00 40.44 N ATOM 43 CD2 HIS A -4 -20.066 -1.332 12.122 1.00 62.31 C ATOM 44 CE1 HIS A -4 -18.858 -1.454 13.896 1.00 74.33 C ATOM 45 NE2 HIS A -4 -19.132 -2.129 12.786 1.00 0.55 N ATOM 46 H HIS A -4 -24.269 0.697 13.170 1.00 0.00 H ATOM 47 N HIS A -3 -21.919 3.620 14.183 1.00 21.22 N ATOM 48 CA HIS A -3 -22.162 5.060 14.252 1.00 60.31 C ATOM 49 C HIS A -3 -20.839 5.766 14.588 1.00 60.54 C ATOM 50 O HIS A -3 -20.224 5.436 15.602 1.00 51.21 O ATOM 51 CB HIS A -3 -23.282 5.387 15.273 1.00 62.44 C ATOM 52 CG HIS A -3 -23.131 4.754 16.640 1.00 44.23 C ATOM 53 ND1 HIS A -3 -22.480 5.375 17.693 1.00 51.14 N ATOM 54 CD2 HIS A -3 -23.554 3.540 17.136 1.00 71.43 C ATOM 55 CE1 HIS A -3 -22.509 4.533 18.729 1.00 52.41 C ATOM 56 NE2 HIS A -3 -23.144 3.399 18.462 1.00 0.45 N ATOM 57 H HIS A -3 -21.017 3.271 14.566 1.00 0.00 H ATOM 58 N HIS A -2 -20.434 6.726 13.739 1.00 40.14 N ATOM 59 CA HIS A -2 -19.237 7.561 13.900 1.00 75.21 C ATOM 60 C HIS A -2 -19.150 8.597 12.769 1.00 72.43 C ATOM 61 O HIS A -2 -19.681 8.367 11.682 1.00 21.51 O ATOM 62 CB HIS A -2 -17.938 6.711 13.975 1.00 51.21 C ATOM 63 CG HIS A -2 -17.325 6.633 15.354 1.00 24.10 C ATOM 64 ND1 HIS A -2 -16.996 5.438 15.969 1.00 0.53 N ATOM 65 CD2 HIS A -2 -16.960 7.618 16.245 1.00 53.53 C ATOM 66 CE1 HIS A -2 -16.485 5.738 17.167 1.00 32.14 C ATOM 67 NE2 HIS A -2 -16.430 7.044 17.401 1.00 71.41 N ATOM 68 H HIS A -2 -21.019 6.892 12.895 1.00 0.00 H ATOM 69 N VAL A -1 -18.460 9.715 13.057 1.00 21.20 N ATOM 70 CA VAL A -1 -18.224 10.817 12.121 1.00 65.23 C ATOM 71 C VAL A -1 -17.106 10.465 11.117 1.00 40.34 C ATOM 72 O VAL A -1 -17.368 10.411 9.915 1.00 22.34 O ATOM 73 CB VAL A -1 -17.857 12.132 12.875 1.00 0.04 C ATOM 74 CG1 VAL A -1 -17.472 13.311 11.955 1.00 41.23 C ATOM 75 CG2 VAL A -1 -18.992 12.570 13.819 1.00 73.00 C ATOM 76 H VAL A -1 -18.065 9.804 14.015 1.00 0.00 H ATOM 77 N ALA A 0 -15.894 10.213 11.641 1.00 33.23 N ATOM 78 CA ALA A 0 -14.720 9.775 10.887 1.00 32.40 C ATOM 79 C ALA A 0 -14.623 8.238 10.862 1.00 31.34 C ATOM 80 O ALA A 0 -15.443 7.558 11.480 1.00 4.12 O ATOM 81 CB ALA A 0 -13.476 10.402 11.542 1.00 13.04 C ATOM 82 H ALA A 0 -15.782 10.340 12.667 1.00 0.00 H ATOM 83 N MET A 1 -13.608 7.721 10.152 1.00 24.30 N ATOM 84 CA MET A 1 -13.304 6.292 10.081 1.00 11.22 C ATOM 85 C MET A 1 -11.983 5.955 10.781 1.00 45.03 C ATOM 86 O MET A 1 -11.110 6.810 10.936 1.00 22.23 O ATOM 87 CB MET A 1 -13.281 5.836 8.605 1.00 31.51 C ATOM 88 CG MET A 1 -14.631 5.265 8.132 1.00 30.04 C ATOM 89 SD MET A 1 -14.506 3.702 7.220 1.00 64.11 S ATOM 90 CE MET A 1 -14.022 2.596 8.576 1.00 61.12 C ATOM 91 H MET A 1 -13.001 8.376 9.620 1.00 0.00 H ATOM 92 N SER A 2 -11.891 4.676 11.171 1.00 23.14 N ATOM 93 CA SER A 2 -10.758 4.078 11.859 1.00 30.02 C ATOM 94 C SER A 2 -9.906 3.316 10.837 1.00 2.41 C ATOM 95 O SER A 2 -10.342 2.274 10.343 1.00 72.34 O ATOM 96 CB SER A 2 -11.297 3.115 12.937 1.00 64.21 C ATOM 97 OG SER A 2 -11.913 3.840 13.983 1.00 44.34 O ATOM 98 HG SER A 2 -12.253 3.208 14.665 1.00 0.00 H ATOM 99 H SER A 2 -12.701 4.057 10.963 1.00 0.00 H ATOM 100 N PHE A 3 -8.701 3.836 10.557 1.00 62.42 N ATOM 101 CA PHE A 3 -7.690 3.142 9.755 1.00 31.35 C ATOM 102 C PHE A 3 -7.064 1.922 10.456 1.00 1.15 C ATOM 103 O PHE A 3 -6.622 1.013 9.758 1.00 14.41 O ATOM 104 CB PHE A 3 -6.616 4.127 9.265 1.00 34.13 C ATOM 105 CG PHE A 3 -6.976 4.966 8.051 1.00 61.22 C ATOM 106 CD1 PHE A 3 -7.625 6.208 8.209 1.00 35.43 C ATOM 107 CD2 PHE A 3 -6.769 4.467 6.747 1.00 1.12 C ATOM 108 CE1 PHE A 3 -7.940 6.970 7.094 1.00 74.21 C ATOM 109 CE2 PHE A 3 -7.085 5.246 5.644 1.00 11.31 C ATOM 110 CZ PHE A 3 -7.640 6.505 5.822 1.00 4.53 C ATOM 111 H PHE A 3 -8.473 4.780 10.928 1.00 0.00 H ATOM 112 N SER A 4 -7.072 1.916 11.801 1.00 3.32 N ATOM 113 CA SER A 4 -6.575 0.855 12.683 1.00 22.24 C ATOM 114 C SER A 4 -7.165 -0.536 12.353 1.00 54.02 C ATOM 115 O SER A 4 -8.373 -0.726 12.502 1.00 15.13 O ATOM 116 CB SER A 4 -6.861 1.280 14.140 1.00 1.13 C ATOM 117 OG SER A 4 -6.359 0.346 15.077 1.00 75.25 O ATOM 118 HG SER A 4 -6.564 0.658 15.994 1.00 0.00 H ATOM 119 H SER A 4 -7.474 2.755 12.266 1.00 0.00 H ATOM 120 N GLY A 5 -6.300 -1.467 11.917 1.00 65.11 N ATOM 121 CA GLY A 5 -6.684 -2.838 11.585 1.00 11.44 C ATOM 122 C GLY A 5 -5.629 -3.489 10.677 1.00 3.24 C ATOM 123 O GLY A 5 -4.795 -2.809 10.077 1.00 62.14 O ATOM 124 H GLY A 5 -5.301 -1.197 11.810 1.00 0.00 H ATOM 125 N LYS A 6 -5.709 -4.827 10.565 1.00 65.22 N ATOM 126 CA LYS A 6 -4.879 -5.668 9.694 1.00 23.34 C ATOM 127 C LYS A 6 -5.716 -6.230 8.538 1.00 22.44 C ATOM 128 O LYS A 6 -6.888 -6.539 8.739 1.00 22.41 O ATOM 129 CB LYS A 6 -4.248 -6.820 10.518 1.00 21.43 C ATOM 130 CG LYS A 6 -2.712 -6.747 10.619 1.00 10.11 C ATOM 131 CD LYS A 6 -1.985 -8.038 10.231 1.00 33.31 C ATOM 132 CE LYS A 6 -2.192 -9.192 11.220 1.00 74.12 C ATOM 133 NZ LYS A 6 -1.518 -10.415 10.754 1.00 52.24 N ATOM 134 HZ1 LYS A 6 -1.907 -10.693 9.830 1.00 0.00 H ATOM 135 HZ2 LYS A 6 -0.498 -10.234 10.662 1.00 0.00 H ATOM 136 HZ3 LYS A 6 -1.675 -11.179 11.442 1.00 0.00 H ATOM 137 H LYS A 6 -6.423 -5.309 11.148 1.00 0.00 H ATOM 138 N TYR A 7 -5.089 -6.362 7.356 1.00 4.41 N ATOM 139 CA TYR A 7 -5.737 -6.748 6.099 1.00 74.05 C ATOM 140 C TYR A 7 -4.815 -7.692 5.311 1.00 70.30 C ATOM 141 O TYR A 7 -3.609 -7.473 5.295 1.00 64.11 O ATOM 142 CB TYR A 7 -6.072 -5.481 5.272 1.00 74.24 C ATOM 143 CG TYR A 7 -6.819 -4.380 6.014 1.00 1.42 C ATOM 144 CD1 TYR A 7 -8.228 -4.338 6.006 1.00 13.43 C ATOM 145 CD2 TYR A 7 -6.100 -3.394 6.723 1.00 71.33 C ATOM 146 CE1 TYR A 7 -8.913 -3.330 6.713 1.00 24.33 C ATOM 147 CE2 TYR A 7 -6.784 -2.393 7.441 1.00 33.43 C ATOM 148 CZ TYR A 7 -8.192 -2.364 7.441 1.00 52.41 C ATOM 149 OH TYR A 7 -8.854 -1.393 8.131 1.00 12.20 O ATOM 150 HH TYR A 7 -9.830 -1.521 8.024 1.00 0.00 H ATOM 151 H TYR A 7 -4.066 -6.176 7.332 1.00 0.00 H ATOM 152 N GLN A 8 -5.384 -8.716 4.659 1.00 43.31 N ATOM 153 CA GLN A 8 -4.653 -9.688 3.835 1.00 62.15 C ATOM 154 C GLN A 8 -4.952 -9.443 2.349 1.00 62.23 C ATOM 155 O GLN A 8 -6.066 -9.037 2.021 1.00 63.35 O ATOM 156 CB GLN A 8 -5.051 -11.114 4.281 1.00 41.11 C ATOM 157 CG GLN A 8 -6.506 -11.533 3.957 1.00 3.13 C ATOM 158 CD GLN A 8 -7.180 -12.302 5.093 1.00 30.44 C ATOM 159 OE1 GLN A 8 -6.657 -13.308 5.567 1.00 51.31 O ATOM 160 NE2 GLN A 8 -8.351 -11.834 5.533 1.00 11.22 N ATOM 161 HE22 GLN A 8 -8.763 -10.979 5.107 1.00 0.00 H ATOM 162 HE21 GLN A 8 -8.851 -12.324 6.302 1.00 0.00 H ATOM 163 H GLN A 8 -6.414 -8.830 4.742 1.00 0.00 H ATOM 164 N LEU A 9 -3.965 -9.723 1.480 1.00 30.33 N ATOM 165 CA LEU A 9 -4.048 -9.579 0.021 1.00 55.51 C ATOM 166 C LEU A 9 -5.160 -10.474 -0.566 1.00 1.34 C ATOM 167 O LEU A 9 -5.177 -11.672 -0.284 1.00 5.11 O ATOM 168 CB LEU A 9 -2.658 -9.917 -0.577 1.00 31.53 C ATOM 169 CG LEU A 9 -2.248 -9.173 -1.871 1.00 41.21 C ATOM 170 CD1 LEU A 9 -0.847 -9.638 -2.314 1.00 71.32 C ATOM 171 CD2 LEU A 9 -3.253 -9.277 -3.034 1.00 62.02 C ATOM 172 H LEU A 9 -3.068 -10.071 1.874 1.00 0.00 H ATOM 173 N GLN A 10 -6.059 -9.870 -1.359 1.00 10.53 N ATOM 174 CA GLN A 10 -7.185 -10.543 -2.011 1.00 30.42 C ATOM 175 C GLN A 10 -6.965 -10.639 -3.523 1.00 61.43 C ATOM 176 O GLN A 10 -6.986 -11.743 -4.066 1.00 65.50 O ATOM 177 CB GLN A 10 -8.497 -9.780 -1.715 1.00 42.04 C ATOM 178 CG GLN A 10 -8.926 -9.786 -0.241 1.00 31.14 C ATOM 179 CD GLN A 10 -9.315 -11.173 0.271 1.00 23.52 C ATOM 180 OE1 GLN A 10 -10.347 -11.713 -0.117 1.00 31.23 O ATOM 181 NE2 GLN A 10 -8.503 -11.739 1.165 1.00 33.32 N ATOM 182 HE22 GLN A 10 -7.638 -11.247 1.467 1.00 0.00 H ATOM 183 HE21 GLN A 10 -8.735 -12.673 1.560 1.00 0.00 H ATOM 184 H GLN A 10 -5.948 -8.849 -1.523 1.00 0.00 H ATOM 185 N SER A 11 -6.768 -9.480 -4.171 1.00 14.51 N ATOM 186 CA SER A 11 -6.658 -9.350 -5.622 1.00 44.04 C ATOM 187 C SER A 11 -5.808 -8.128 -6.008 1.00 44.23 C ATOM 188 O SER A 11 -5.388 -7.358 -5.143 1.00 73.05 O ATOM 189 CB SER A 11 -8.065 -9.388 -6.266 1.00 13.05 C ATOM 190 OG SER A 11 -8.829 -8.234 -5.981 1.00 2.31 O ATOM 191 HG SER A 11 -9.715 -8.311 -6.415 1.00 0.00 H ATOM 192 H SER A 11 -6.688 -8.614 -3.600 1.00 0.00 H ATOM 193 N GLN A 12 -5.516 -8.023 -7.314 1.00 65.13 N ATOM 194 CA GLN A 12 -4.499 -7.136 -7.874 1.00 24.33 C ATOM 195 C GLN A 12 -4.624 -7.051 -9.402 1.00 30.55 C ATOM 196 O GLN A 12 -5.014 -8.034 -10.032 1.00 12.12 O ATOM 197 CB GLN A 12 -3.094 -7.629 -7.446 1.00 34.43 C ATOM 198 CG GLN A 12 -2.839 -9.143 -7.647 1.00 52.12 C ATOM 199 CD GLN A 12 -1.368 -9.530 -7.497 1.00 73.10 C ATOM 200 OE1 GLN A 12 -0.654 -9.632 -8.489 1.00 52.04 O ATOM 201 NE2 GLN A 12 -0.909 -9.758 -6.265 1.00 74.35 N ATOM 202 HE22 GLN A 12 -1.544 -9.662 -5.447 1.00 0.00 H ATOM 203 HE21 GLN A 12 0.084 -10.032 -6.123 1.00 0.00 H ATOM 204 H GLN A 12 -6.054 -8.617 -7.977 1.00 0.00 H ATOM 205 N GLU A 13 -4.266 -5.884 -9.968 1.00 61.34 N ATOM 206 CA GLU A 13 -4.251 -5.621 -11.414 1.00 0.12 C ATOM 207 C GLU A 13 -3.008 -4.787 -11.752 1.00 65.53 C ATOM 208 O GLU A 13 -2.642 -3.917 -10.960 1.00 34.14 O ATOM 209 CB GLU A 13 -5.521 -4.859 -11.867 1.00 71.15 C ATOM 210 CG GLU A 13 -6.856 -5.362 -11.277 1.00 64.21 C ATOM 211 CD GLU A 13 -8.062 -4.557 -11.765 1.00 11.24 C ATOM 212 OE1 GLU A 13 -9.081 -5.208 -12.081 1.00 3.12 O ATOM 213 OE2 GLU A 13 -7.958 -3.308 -11.797 1.00 12.44 O ATOM 214 H GLU A 13 -3.978 -5.110 -9.335 1.00 0.00 H ATOM 215 N ASN A 14 -2.388 -5.052 -12.921 1.00 13.43 N ATOM 216 CA ASN A 14 -1.145 -4.426 -13.418 1.00 14.42 C ATOM 217 C ASN A 14 0.057 -4.594 -12.463 1.00 25.15 C ATOM 218 O ASN A 14 0.976 -3.778 -12.507 1.00 62.42 O ATOM 219 CB ASN A 14 -1.398 -2.936 -13.817 1.00 3.55 C ATOM 220 CG ASN A 14 -1.742 -2.715 -15.293 1.00 51.41 C ATOM 221 OD1 ASN A 14 -1.202 -3.380 -16.175 1.00 63.12 O ATOM 222 ND2 ASN A 14 -2.593 -1.727 -15.575 1.00 0.34 N ATOM 223 HD22 ASN A 14 -3.033 -1.184 -14.805 1.00 0.00 H ATOM 224 HD21 ASN A 14 -2.817 -1.500 -16.565 1.00 0.00 H ATOM 225 H ASN A 14 -2.829 -5.768 -13.533 1.00 0.00 H ATOM 226 N PHE A 15 0.054 -5.654 -11.634 1.00 54.22 N ATOM 227 CA PHE A 15 1.126 -5.947 -10.686 1.00 3.23 C ATOM 228 C PHE A 15 2.479 -6.197 -11.363 1.00 43.12 C ATOM 229 O PHE A 15 3.427 -5.484 -11.047 1.00 20.04 O ATOM 230 CB PHE A 15 0.712 -7.069 -9.715 1.00 11.32 C ATOM 231 CG PHE A 15 1.804 -7.531 -8.764 1.00 31.22 C ATOM 232 CD1 PHE A 15 2.604 -8.639 -9.102 1.00 60.12 C ATOM 233 CD2 PHE A 15 2.155 -6.762 -7.634 1.00 2.02 C ATOM 234 CE1 PHE A 15 3.669 -8.994 -8.292 1.00 21.41 C ATOM 235 CE2 PHE A 15 3.216 -7.146 -6.825 1.00 12.54 C ATOM 236 CZ PHE A 15 3.969 -8.263 -7.153 1.00 74.25 C ATOM 237 H PHE A 15 -0.759 -6.302 -11.670 1.00 0.00 H ATOM 238 N GLU A 16 2.534 -7.161 -12.302 1.00 33.41 N ATOM 239 CA GLU A 16 3.752 -7.450 -13.063 1.00 54.02 C ATOM 240 C GLU A 16 4.216 -6.265 -13.921 1.00 3.23 C ATOM 241 O GLU A 16 5.403 -5.959 -13.890 1.00 35.24 O ATOM 242 CB GLU A 16 3.619 -8.720 -13.926 1.00 13.24 C ATOM 243 CG GLU A 16 3.373 -10.006 -13.118 1.00 13.12 C ATOM 244 CD GLU A 16 3.824 -11.241 -13.896 1.00 52.32 C ATOM 245 OE1 GLU A 16 2.943 -11.928 -14.455 1.00 23.41 O ATOM 246 OE2 GLU A 16 5.055 -11.464 -13.934 1.00 60.04 O ATOM 247 H GLU A 16 1.679 -7.722 -12.494 1.00 0.00 H ATOM 248 N ALA A 17 3.282 -5.588 -14.612 1.00 40.14 N ATOM 249 CA ALA A 17 3.546 -4.398 -15.429 1.00 3.21 C ATOM 250 C ALA A 17 4.207 -3.249 -14.647 1.00 23.13 C ATOM 251 O ALA A 17 5.194 -2.690 -15.124 1.00 53.45 O ATOM 252 CB ALA A 17 2.237 -3.928 -16.082 1.00 32.40 C ATOM 253 H ALA A 17 2.302 -5.933 -14.564 1.00 0.00 H ATOM 254 N PHE A 18 3.681 -2.966 -13.444 1.00 2.51 N ATOM 255 CA PHE A 18 4.211 -1.978 -12.512 1.00 21.00 C ATOM 256 C PHE A 18 5.570 -2.374 -11.920 1.00 31.51 C ATOM 257 O PHE A 18 6.470 -1.539 -11.915 1.00 24.25 O ATOM 258 CB PHE A 18 3.147 -1.678 -11.438 1.00 43.24 C ATOM 259 CG PHE A 18 3.545 -0.721 -10.326 1.00 63.01 C ATOM 260 CD1 PHE A 18 4.159 -1.209 -9.153 1.00 53.12 C ATOM 261 CD2 PHE A 18 3.441 0.673 -10.516 1.00 70.13 C ATOM 262 CE1 PHE A 18 4.614 -0.324 -8.185 1.00 10.35 C ATOM 263 CE2 PHE A 18 3.893 1.540 -9.532 1.00 3.31 C ATOM 264 CZ PHE A 18 4.484 1.045 -8.377 1.00 2.42 C ATOM 265 H PHE A 18 2.831 -3.491 -13.155 1.00 0.00 H ATOM 266 N MET A 19 5.691 -3.628 -11.453 1.00 24.42 N ATOM 267 CA MET A 19 6.902 -4.165 -10.828 1.00 2.24 C ATOM 268 C MET A 19 8.089 -4.267 -11.803 1.00 14.21 C ATOM 269 O MET A 19 9.180 -3.831 -11.443 1.00 12.25 O ATOM 270 CB MET A 19 6.611 -5.511 -10.151 1.00 2.14 C ATOM 271 CG MET A 19 5.630 -5.439 -8.967 1.00 40.02 C ATOM 272 SD MET A 19 6.403 -5.238 -7.340 1.00 61.43 S ATOM 273 CE MET A 19 5.267 -4.047 -6.586 1.00 1.02 C ATOM 274 H MET A 19 4.870 -4.260 -11.541 1.00 0.00 H ATOM 275 N LYS A 20 7.856 -4.770 -13.032 1.00 15.33 N ATOM 276 CA LYS A 20 8.839 -4.757 -14.123 1.00 62.13 C ATOM 277 C LYS A 20 9.276 -3.329 -14.527 1.00 25.20 C ATOM 278 O LYS A 20 10.434 -3.155 -14.905 1.00 12.41 O ATOM 279 CB LYS A 20 8.333 -5.556 -15.358 1.00 44.13 C ATOM 280 CG LYS A 20 8.628 -7.078 -15.370 1.00 1.20 C ATOM 281 CD LYS A 20 7.557 -7.974 -14.722 1.00 22.32 C ATOM 282 CE LYS A 20 7.912 -9.476 -14.721 1.00 10.12 C ATOM 283 NZ LYS A 20 7.664 -10.127 -16.018 1.00 21.41 N ATOM 284 HZ1 LYS A 20 6.657 -10.040 -16.261 1.00 0.00 H ATOM 285 HZ2 LYS A 20 8.240 -9.666 -16.751 1.00 0.00 H ATOM 286 HZ3 LYS A 20 7.921 -11.133 -15.955 1.00 0.00 H ATOM 287 H LYS A 20 6.924 -5.193 -13.219 1.00 0.00 H ATOM 288 N ALA A 21 8.368 -2.340 -14.418 1.00 71.32 N ATOM 289 CA ALA A 21 8.635 -0.936 -14.743 1.00 31.00 C ATOM 290 C ALA A 21 9.473 -0.189 -13.692 1.00 34.31 C ATOM 291 O ALA A 21 10.324 0.605 -14.089 1.00 43.42 O ATOM 292 CB ALA A 21 7.316 -0.204 -15.004 1.00 63.44 C ATOM 293 H ALA A 21 7.416 -2.589 -14.081 1.00 0.00 H ATOM 294 N ILE A 22 9.257 -0.465 -12.391 1.00 33.13 N ATOM 295 CA ILE A 22 10.100 0.055 -11.300 1.00 1.32 C ATOM 296 C ILE A 22 11.428 -0.721 -11.125 1.00 40.54 C ATOM 297 O ILE A 22 12.276 -0.279 -10.351 1.00 52.23 O ATOM 298 CB ILE A 22 9.355 0.146 -9.934 1.00 23.33 C ATOM 299 CG1 ILE A 22 8.795 -1.193 -9.415 1.00 75.30 C ATOM 300 CG2 ILE A 22 8.257 1.223 -9.973 1.00 52.22 C ATOM 301 CD1 ILE A 22 8.402 -1.182 -7.931 1.00 35.45 C ATOM 302 H ILE A 22 8.453 -1.077 -12.144 1.00 0.00 H ATOM 303 N GLY A 23 11.615 -1.815 -11.887 1.00 44.11 N ATOM 304 CA GLY A 23 12.888 -2.520 -12.008 1.00 3.54 C ATOM 305 C GLY A 23 13.078 -3.597 -10.933 1.00 4.24 C ATOM 306 O GLY A 23 14.223 -3.890 -10.586 1.00 24.30 O ATOM 307 H GLY A 23 10.802 -2.181 -12.423 1.00 0.00 H ATOM 308 N LEU A 24 11.990 -4.186 -10.406 1.00 64.03 N ATOM 309 CA LEU A 24 12.036 -5.297 -9.446 1.00 5.14 C ATOM 310 C LEU A 24 12.584 -6.580 -10.106 1.00 72.05 C ATOM 311 O LEU A 24 12.312 -6.806 -11.287 1.00 22.34 O ATOM 312 CB LEU A 24 10.616 -5.568 -8.881 1.00 40.52 C ATOM 313 CG LEU A 24 10.180 -4.738 -7.645 1.00 71.00 C ATOM 314 CD1 LEU A 24 10.153 -5.553 -6.334 1.00 2.31 C ATOM 315 CD2 LEU A 24 10.947 -3.425 -7.442 1.00 53.42 C ATOM 316 H LEU A 24 11.056 -3.832 -10.697 1.00 0.00 H ATOM 317 N PRO A 25 13.313 -7.413 -9.327 1.00 62.05 N ATOM 318 CA PRO A 25 13.724 -8.748 -9.784 1.00 33.43 C ATOM 319 C PRO A 25 12.508 -9.677 -9.918 1.00 31.04 C ATOM 320 O PRO A 25 11.598 -9.612 -9.089 1.00 45.01 O ATOM 321 CB PRO A 25 14.694 -9.217 -8.689 1.00 41.41 C ATOM 322 CG PRO A 25 14.199 -8.540 -7.425 1.00 64.41 C ATOM 323 CD PRO A 25 13.692 -7.192 -7.927 1.00 53.01 C ATOM 324 N GLU A 26 12.509 -10.508 -10.971 1.00 34.42 N ATOM 325 CA GLU A 26 11.398 -11.397 -11.311 1.00 42.42 C ATOM 326 C GLU A 26 11.055 -12.442 -10.227 1.00 71.42 C ATOM 327 O GLU A 26 9.903 -12.862 -10.174 1.00 52.23 O ATOM 328 CB GLU A 26 11.623 -11.971 -12.725 1.00 40.01 C ATOM 329 CG GLU A 26 10.463 -12.831 -13.264 1.00 60.43 C ATOM 330 CD GLU A 26 10.581 -13.078 -14.767 1.00 11.01 C ATOM 331 OE1 GLU A 26 9.677 -12.599 -15.490 1.00 74.34 O ATOM 332 OE2 GLU A 26 11.576 -13.720 -15.166 1.00 43.23 O ATOM 333 H GLU A 26 13.350 -10.521 -11.582 1.00 0.00 H ATOM 334 N GLU A 27 12.003 -12.765 -9.327 1.00 25.20 N ATOM 335 CA GLU A 27 11.762 -13.566 -8.123 1.00 73.54 C ATOM 336 C GLU A 27 10.759 -12.918 -7.149 1.00 32.12 C ATOM 337 O GLU A 27 9.805 -13.592 -6.765 1.00 51.35 O ATOM 338 CB GLU A 27 13.101 -13.929 -7.448 1.00 13.45 C ATOM 339 CG GLU A 27 12.954 -14.738 -6.142 1.00 43.01 C ATOM 340 CD GLU A 27 14.304 -15.191 -5.597 1.00 71.51 C ATOM 341 OE1 GLU A 27 14.942 -14.371 -4.902 1.00 42.02 O ATOM 342 OE2 GLU A 27 14.673 -16.349 -5.887 1.00 23.12 O ATOM 343 H GLU A 27 12.970 -12.424 -9.497 1.00 0.00 H ATOM 344 N LEU A 28 10.963 -11.627 -6.809 1.00 54.42 N ATOM 345 CA LEU A 28 10.051 -10.827 -5.976 1.00 14.45 C ATOM 346 C LEU A 28 8.667 -10.608 -6.614 1.00 3.00 C ATOM 347 O LEU A 28 7.704 -10.374 -5.882 1.00 2.10 O ATOM 348 CB LEU A 28 10.681 -9.459 -5.618 1.00 31.51 C ATOM 349 CG LEU A 28 11.779 -9.517 -4.534 1.00 75.44 C ATOM 350 CD1 LEU A 28 12.482 -8.149 -4.383 1.00 71.20 C ATOM 351 CD2 LEU A 28 11.238 -10.035 -3.182 1.00 33.40 C ATOM 352 H LEU A 28 11.826 -11.165 -7.161 1.00 0.00 H ATOM 353 N ILE A 29 8.594 -10.701 -7.949 1.00 53.43 N ATOM 354 CA ILE A 29 7.366 -10.548 -8.717 1.00 61.11 C ATOM 355 C ILE A 29 6.578 -11.868 -8.746 1.00 54.44 C ATOM 356 O ILE A 29 5.403 -11.855 -8.394 1.00 4.34 O ATOM 357 CB ILE A 29 7.647 -10.058 -10.162 1.00 64.11 C ATOM 358 CG1 ILE A 29 8.396 -8.710 -10.115 1.00 30.03 C ATOM 359 CG2 ILE A 29 6.369 -9.920 -11.012 1.00 53.34 C ATOM 360 CD1 ILE A 29 9.040 -8.277 -11.435 1.00 32.14 C ATOM 361 H ILE A 29 9.472 -10.895 -8.471 1.00 0.00 H ATOM 362 N GLN A 30 7.231 -12.991 -9.098 1.00 33.33 N ATOM 363 CA GLN A 30 6.598 -14.312 -9.107 1.00 4.35 C ATOM 364 C GLN A 30 6.087 -14.747 -7.724 1.00 52.05 C ATOM 365 O GLN A 30 4.953 -15.209 -7.652 1.00 42.34 O ATOM 366 CB GLN A 30 7.516 -15.387 -9.738 1.00 51.11 C ATOM 367 CG GLN A 30 7.826 -15.252 -11.250 1.00 41.44 C ATOM 368 CD GLN A 30 6.644 -14.808 -12.116 1.00 1.22 C ATOM 369 OE1 GLN A 30 5.688 -15.557 -12.300 1.00 53.41 O ATOM 370 NE2 GLN A 30 6.709 -13.582 -12.641 1.00 13.21 N ATOM 371 HE22 GLN A 30 7.538 -12.982 -12.459 1.00 0.00 H ATOM 372 HE21 GLN A 30 5.930 -13.228 -13.232 1.00 0.00 H ATOM 373 H GLN A 30 8.230 -12.918 -9.376 1.00 0.00 H ATOM 374 N LYS A 31 6.872 -14.517 -6.656 1.00 51.13 N ATOM 375 CA LYS A 31 6.440 -14.753 -5.274 1.00 75.50 C ATOM 376 C LYS A 31 5.396 -13.726 -4.790 1.00 14.22 C ATOM 377 O LYS A 31 4.609 -14.068 -3.913 1.00 52.42 O ATOM 378 CB LYS A 31 7.675 -14.825 -4.340 1.00 61.04 C ATOM 379 CG LYS A 31 8.359 -13.480 -4.019 1.00 11.24 C ATOM 380 CD LYS A 31 7.834 -12.737 -2.772 1.00 52.42 C ATOM 381 CE LYS A 31 8.824 -12.720 -1.600 1.00 22.44 C ATOM 382 NZ LYS A 31 9.113 -14.077 -1.106 1.00 3.43 N ATOM 383 HZ1 LYS A 31 8.231 -14.522 -0.782 1.00 0.00 H ATOM 384 HZ2 LYS A 31 9.526 -14.644 -1.874 1.00 0.00 H ATOM 385 HZ3 LYS A 31 9.786 -14.021 -0.315 1.00 0.00 H ATOM 386 H LYS A 31 7.833 -14.154 -6.818 1.00 0.00 H ATOM 387 N GLY A 32 5.401 -12.499 -5.340 1.00 20.31 N ATOM 388 CA GLY A 32 4.535 -11.402 -4.901 1.00 4.01 C ATOM 389 C GLY A 32 3.089 -11.558 -5.397 1.00 20.32 C ATOM 390 O GLY A 32 2.169 -11.116 -4.708 1.00 1.14 O ATOM 391 H GLY A 32 6.059 -12.318 -6.124 1.00 0.00 H ATOM 392 N LYS A 33 2.887 -12.195 -6.565 1.00 5.11 N ATOM 393 CA LYS A 33 1.571 -12.537 -7.110 1.00 72.43 C ATOM 394 C LYS A 33 1.122 -13.961 -6.735 1.00 13.43 C ATOM 395 O LYS A 33 -0.084 -14.171 -6.594 1.00 45.33 O ATOM 396 CB LYS A 33 1.532 -12.287 -8.636 1.00 54.24 C ATOM 397 CG LYS A 33 2.639 -12.968 -9.472 1.00 23.02 C ATOM 398 CD LYS A 33 2.135 -13.812 -10.651 1.00 1.43 C ATOM 399 CE LYS A 33 1.433 -15.107 -10.213 1.00 5.11 C ATOM 400 NZ LYS A 33 1.051 -15.922 -11.376 1.00 1.02 N ATOM 401 HZ1 LYS A 33 0.402 -15.379 -11.980 1.00 0.00 H ATOM 402 HZ2 LYS A 33 1.903 -16.172 -11.918 1.00 0.00 H ATOM 403 HZ3 LYS A 33 0.579 -16.790 -11.050 1.00 0.00 H ATOM 404 H LYS A 33 3.724 -12.464 -7.120 1.00 0.00 H ATOM 405 N ASP A 34 2.073 -14.901 -6.567 1.00 55.44 N ATOM 406 CA ASP A 34 1.811 -16.293 -6.184 1.00 10.44 C ATOM 407 C ASP A 34 1.400 -16.404 -4.703 1.00 72.21 C ATOM 408 O ASP A 34 0.382 -17.027 -4.407 1.00 0.21 O ATOM 409 CB ASP A 34 3.016 -17.206 -6.510 1.00 75.45 C ATOM 410 CG ASP A 34 2.790 -18.697 -6.254 1.00 1.03 C ATOM 411 OD1 ASP A 34 3.497 -19.237 -5.376 1.00 33.52 O ATOM 412 OD2 ASP A 34 1.960 -19.276 -6.986 1.00 41.32 O ATOM 413 H ASP A 34 3.063 -14.620 -6.720 1.00 0.00 H ATOM 414 N ILE A 35 2.191 -15.781 -3.811 1.00 62.42 N ATOM 415 CA ILE A 35 1.954 -15.768 -2.369 1.00 14.43 C ATOM 416 C ILE A 35 1.151 -14.504 -2.022 1.00 22.41 C ATOM 417 O ILE A 35 1.548 -13.401 -2.405 1.00 41.11 O ATOM 418 CB ILE A 35 3.280 -15.726 -1.541 1.00 35.24 C ATOM 419 CG1 ILE A 35 4.278 -16.827 -1.977 1.00 12.33 C ATOM 420 CG2 ILE A 35 3.038 -15.799 -0.015 1.00 32.24 C ATOM 421 CD1 ILE A 35 5.693 -16.646 -1.405 1.00 44.52 C ATOM 422 H ILE A 35 3.026 -15.276 -4.171 1.00 0.00 H ATOM 423 N LYS A 36 0.052 -14.691 -1.274 1.00 12.13 N ATOM 424 CA LYS A 36 -0.717 -13.602 -0.680 1.00 23.12 C ATOM 425 C LYS A 36 -0.013 -13.142 0.600 1.00 31.44 C ATOM 426 O LYS A 36 -0.003 -13.876 1.588 1.00 1.42 O ATOM 427 CB LYS A 36 -2.173 -14.043 -0.403 1.00 34.15 C ATOM 428 CG LYS A 36 -3.115 -13.932 -1.616 1.00 53.52 C ATOM 429 CD LYS A 36 -2.860 -14.955 -2.736 1.00 63.21 C ATOM 430 CE LYS A 36 -3.726 -14.714 -3.980 1.00 3.02 C ATOM 431 NZ LYS A 36 -3.307 -13.498 -4.699 1.00 1.01 N ATOM 432 HZ1 LYS A 36 -3.397 -12.676 -4.069 1.00 0.00 H ATOM 433 HZ2 LYS A 36 -2.317 -13.599 -5.000 1.00 0.00 H ATOM 434 HZ3 LYS A 36 -3.912 -13.365 -5.534 1.00 0.00 H ATOM 435 H LYS A 36 -0.269 -15.666 -1.109 1.00 0.00 H ATOM 436 N GLY A 37 0.559 -11.930 0.549 1.00 22.23 N ATOM 437 CA GLY A 37 1.165 -11.277 1.703 1.00 21.12 C ATOM 438 C GLY A 37 0.080 -10.664 2.604 1.00 50.41 C ATOM 439 O GLY A 37 -1.123 -10.848 2.399 1.00 74.13 O ATOM 440 H GLY A 37 0.571 -11.429 -0.362 1.00 0.00 H ATOM 441 N VAL A 38 0.539 -9.915 3.613 1.00 15.21 N ATOM 442 CA VAL A 38 -0.300 -9.266 4.614 1.00 31.44 C ATOM 443 C VAL A 38 0.094 -7.778 4.738 1.00 43.45 C ATOM 444 O VAL A 38 1.226 -7.403 4.434 1.00 12.04 O ATOM 445 CB VAL A 38 -0.159 -9.990 5.987 1.00 33.30 C ATOM 446 CG1 VAL A 38 -1.009 -9.371 7.106 1.00 14.31 C ATOM 447 CG2 VAL A 38 -0.492 -11.492 5.884 1.00 70.24 C ATOM 448 H VAL A 38 1.568 -9.786 3.689 1.00 0.00 H ATOM 449 N SER A 39 -0.871 -6.956 5.164 1.00 34.12 N ATOM 450 CA SER A 39 -0.749 -5.523 5.400 1.00 13.50 C ATOM 451 C SER A 39 -1.316 -5.190 6.792 1.00 50.50 C ATOM 452 O SER A 39 -2.174 -5.910 7.302 1.00 21.15 O ATOM 453 CB SER A 39 -1.532 -4.791 4.290 1.00 2.40 C ATOM 454 OG SER A 39 -1.337 -3.394 4.347 1.00 70.22 O ATOM 455 HG SER A 39 -1.853 -2.960 3.622 1.00 0.00 H ATOM 456 H SER A 39 -1.802 -7.382 5.345 1.00 0.00 H ATOM 457 N GLU A 40 -0.850 -4.073 7.359 1.00 11.24 N ATOM 458 CA GLU A 40 -1.386 -3.472 8.573 1.00 53.13 C ATOM 459 C GLU A 40 -1.371 -1.959 8.392 1.00 62.11 C ATOM 460 O GLU A 40 -0.442 -1.412 7.796 1.00 50.03 O ATOM 461 CB GLU A 40 -0.551 -3.895 9.792 1.00 31.41 C ATOM 462 CG GLU A 40 -1.192 -3.616 11.164 1.00 33.53 C ATOM 463 CD GLU A 40 -0.379 -4.241 12.301 1.00 11.44 C ATOM 464 OE1 GLU A 40 0.871 -4.206 12.213 1.00 13.12 O ATOM 465 OE2 GLU A 40 -1.024 -4.761 13.237 1.00 72.33 O ATOM 466 H GLU A 40 -0.046 -3.598 6.900 1.00 0.00 H ATOM 467 N ILE A 41 -2.408 -1.323 8.940 1.00 31.42 N ATOM 468 CA ILE A 41 -2.597 0.112 8.890 1.00 42.24 C ATOM 469 C ILE A 41 -2.933 0.547 10.324 1.00 1.44 C ATOM 470 O ILE A 41 -3.780 -0.077 10.964 1.00 42.33 O ATOM 471 CB ILE A 41 -3.780 0.501 7.960 1.00 34.33 C ATOM 472 CG1 ILE A 41 -3.793 -0.296 6.634 1.00 62.45 C ATOM 473 CG2 ILE A 41 -3.757 2.012 7.693 1.00 5.55 C ATOM 474 CD1 ILE A 41 -4.857 0.155 5.624 1.00 61.05 C ATOM 475 H ILE A 41 -3.125 -1.893 9.433 1.00 0.00 H ATOM 476 N VAL A 42 -2.231 1.575 10.813 1.00 30.22 N ATOM 477 CA VAL A 42 -2.335 2.064 12.184 1.00 1.05 C ATOM 478 C VAL A 42 -2.419 3.601 12.140 1.00 53.31 C ATOM 479 O VAL A 42 -1.655 4.235 11.415 1.00 72.21 O ATOM 480 CB VAL A 42 -1.091 1.641 13.021 1.00 74.23 C ATOM 481 CG1 VAL A 42 -1.087 2.186 14.463 1.00 31.43 C ATOM 482 CG2 VAL A 42 -0.888 0.115 13.051 1.00 60.23 C ATOM 483 H VAL A 42 -1.567 2.058 10.174 1.00 0.00 H ATOM 484 N GLN A 43 -3.340 4.165 12.932 1.00 45.30 N ATOM 485 CA GLN A 43 -3.585 5.603 13.035 1.00 5.14 C ATOM 486 C GLN A 43 -3.516 6.008 14.510 1.00 52.24 C ATOM 487 O GLN A 43 -4.143 5.361 15.348 1.00 55.31 O ATOM 488 CB GLN A 43 -4.948 5.907 12.391 1.00 43.22 C ATOM 489 CG GLN A 43 -5.427 7.372 12.492 1.00 35.32 C ATOM 490 CD GLN A 43 -6.857 7.572 11.981 1.00 15.12 C ATOM 491 OE1 GLN A 43 -7.588 6.616 11.723 1.00 74.34 O ATOM 492 NE2 GLN A 43 -7.278 8.832 11.860 1.00 34.24 N ATOM 493 HE22 GLN A 43 -6.636 9.619 12.086 1.00 0.00 H ATOM 494 HE21 GLN A 43 -8.248 9.028 11.540 1.00 0.00 H ATOM 495 H GLN A 43 -3.924 3.534 13.517 1.00 0.00 H ATOM 496 N ASN A 44 -2.744 7.071 14.785 1.00 71.23 N ATOM 497 CA ASN A 44 -2.401 7.538 16.129 1.00 33.30 C ATOM 498 C ASN A 44 -2.604 9.062 16.205 1.00 73.54 C ATOM 499 O ASN A 44 -1.668 9.792 16.537 1.00 45.15 O ATOM 500 CB ASN A 44 -0.939 7.144 16.480 1.00 62.41 C ATOM 501 CG ASN A 44 -0.611 5.657 16.318 1.00 32.33 C ATOM 502 OD1 ASN A 44 -1.246 4.803 16.931 1.00 11.31 O ATOM 503 ND2 ASN A 44 0.389 5.343 15.490 1.00 61.33 N ATOM 504 HD22 ASN A 44 0.904 6.094 14.988 1.00 0.00 H ATOM 505 HD21 ASN A 44 0.653 4.347 15.347 1.00 0.00 H ATOM 506 H ASN A 44 -2.359 7.605 13.980 1.00 0.00 H ATOM 507 N GLY A 45 -3.820 9.527 15.863 1.00 50.40 N ATOM 508 CA GLY A 45 -4.150 10.951 15.787 1.00 14.40 C ATOM 509 C GLY A 45 -3.464 11.550 14.553 1.00 20.43 C ATOM 510 O GLY A 45 -3.780 11.161 13.427 1.00 40.23 O ATOM 511 H GLY A 45 -4.566 8.837 15.641 1.00 0.00 H ATOM 512 N LYS A 46 -2.529 12.490 14.778 1.00 71.15 N ATOM 513 CA LYS A 46 -1.670 13.067 13.740 1.00 21.42 C ATOM 514 C LYS A 46 -0.605 12.101 13.192 1.00 73.31 C ATOM 515 O LYS A 46 -0.329 12.167 11.995 1.00 42.45 O ATOM 516 CB LYS A 46 -1.036 14.390 14.234 1.00 23.22 C ATOM 517 CG LYS A 46 -1.737 15.666 13.732 1.00 1.11 C ATOM 518 CD LYS A 46 -1.756 15.791 12.195 1.00 0.02 C ATOM 519 CE LYS A 46 -2.070 17.204 11.682 1.00 64.21 C ATOM 520 NZ LYS A 46 -0.907 18.099 11.809 1.00 41.21 N ATOM 521 HZ1 LYS A 46 -0.631 18.167 12.809 1.00 0.00 H ATOM 522 HZ2 LYS A 46 -0.115 17.717 11.254 1.00 0.00 H ATOM 523 HZ3 LYS A 46 -1.157 19.043 11.453 1.00 0.00 H ATOM 524 H LYS A 46 -2.407 12.830 15.753 1.00 0.00 H ATOM 525 N HIS A 47 -0.046 11.225 14.046 1.00 50.52 N ATOM 526 CA HIS A 47 0.872 10.165 13.618 1.00 13.30 C ATOM 527 C HIS A 47 0.121 9.023 12.919 1.00 64.14 C ATOM 528 O HIS A 47 -1.072 8.823 13.149 1.00 43.44 O ATOM 529 CB HIS A 47 1.711 9.631 14.807 1.00 21.40 C ATOM 530 CG HIS A 47 3.190 9.928 14.731 1.00 72.23 C ATOM 531 ND1 HIS A 47 3.932 9.817 13.565 1.00 45.40 N ATOM 532 CD2 HIS A 47 4.079 10.359 15.691 1.00 12.30 C ATOM 533 CE1 HIS A 47 5.184 10.182 13.856 1.00 24.02 C ATOM 534 NE2 HIS A 47 5.347 10.520 15.129 1.00 64.31 N ATOM 535 H HIS A 47 -0.276 11.303 15.057 1.00 0.00 H ATOM 536 N PHE A 48 0.860 8.291 12.080 1.00 44.20 N ATOM 537 CA PHE A 48 0.342 7.194 11.280 1.00 62.35 C ATOM 538 C PHE A 48 1.498 6.208 11.067 1.00 51.41 C ATOM 539 O PHE A 48 2.634 6.631 10.852 1.00 30.03 O ATOM 540 CB PHE A 48 -0.180 7.777 9.952 1.00 53.12 C ATOM 541 CG PHE A 48 -1.220 6.932 9.242 1.00 4.25 C ATOM 542 CD1 PHE A 48 -2.587 7.263 9.353 1.00 1.22 C ATOM 543 CD2 PHE A 48 -0.853 5.753 8.561 1.00 34.12 C ATOM 544 CE1 PHE A 48 -3.543 6.479 8.725 1.00 51.21 C ATOM 545 CE2 PHE A 48 -1.824 4.980 7.944 1.00 13.21 C ATOM 546 CZ PHE A 48 -3.161 5.352 8.009 1.00 73.35 C ATOM 547 H PHE A 48 1.871 8.521 11.994 1.00 0.00 H ATOM 548 N LYS A 49 1.165 4.915 11.115 1.00 64.44 N ATOM 549 CA LYS A 49 2.073 3.783 10.949 1.00 14.34 C ATOM 550 C LYS A 49 1.492 2.820 9.902 1.00 50.00 C ATOM 551 O LYS A 49 0.274 2.742 9.745 1.00 44.42 O ATOM 552 CB LYS A 49 2.255 3.100 12.329 1.00 51.53 C ATOM 553 CG LYS A 49 3.611 3.346 13.005 1.00 25.12 C ATOM 554 CD LYS A 49 4.754 2.485 12.432 1.00 75.04 C ATOM 555 CE LYS A 49 5.628 1.832 13.514 1.00 4.11 C ATOM 556 NZ LYS A 49 6.249 2.835 14.399 1.00 20.31 N ATOM 557 HZ1 LYS A 49 6.849 3.470 13.834 1.00 0.00 H ATOM 558 HZ2 LYS A 49 5.505 3.388 14.870 1.00 0.00 H ATOM 559 HZ3 LYS A 49 6.830 2.352 15.114 1.00 0.00 H ATOM 560 H LYS A 49 0.164 4.693 11.287 1.00 0.00 H ATOM 561 N PHE A 50 2.376 2.091 9.206 1.00 35.44 N ATOM 562 CA PHE A 50 1.984 1.130 8.178 1.00 14.04 C ATOM 563 C PHE A 50 3.023 0.004 8.173 1.00 21.52 C ATOM 564 O PHE A 50 4.211 0.288 8.023 1.00 40.53 O ATOM 565 CB PHE A 50 1.906 1.852 6.812 1.00 40.22 C ATOM 566 CG PHE A 50 1.042 1.155 5.777 1.00 70.41 C ATOM 567 CD1 PHE A 50 -0.283 1.588 5.564 1.00 23.41 C ATOM 568 CD2 PHE A 50 1.493 -0.007 5.115 1.00 42.55 C ATOM 569 CE1 PHE A 50 -1.093 0.923 4.656 1.00 53.11 C ATOM 570 CE2 PHE A 50 0.662 -0.666 4.221 1.00 32.25 C ATOM 571 CZ PHE A 50 -0.622 -0.195 3.983 1.00 54.43 C ATOM 572 H PHE A 50 3.389 2.216 9.407 1.00 0.00 H ATOM 573 N THR A 51 2.546 -1.245 8.302 1.00 45.21 N ATOM 574 CA THR A 51 3.368 -2.452 8.215 1.00 41.33 C ATOM 575 C THR A 51 3.037 -3.188 6.905 1.00 2.32 C ATOM 576 O THR A 51 1.873 -3.483 6.647 1.00 11.25 O ATOM 577 CB THR A 51 3.111 -3.450 9.378 1.00 4.33 C ATOM 578 OG1 THR A 51 3.054 -2.771 10.620 1.00 33.01 O ATOM 579 CG2 THR A 51 4.164 -4.562 9.494 1.00 15.20 C ATOM 580 HG1 THR A 51 2.890 -3.425 11.345 1.00 0.00 H ATOM 581 H THR A 51 1.527 -1.361 8.475 1.00 0.00 H ATOM 582 N ILE A 52 4.074 -3.476 6.114 1.00 74.15 N ATOM 583 CA ILE A 52 4.011 -4.264 4.888 1.00 31.22 C ATOM 584 C ILE A 52 4.683 -5.610 5.193 1.00 52.24 C ATOM 585 O ILE A 52 5.768 -5.594 5.768 1.00 54.43 O ATOM 586 CB ILE A 52 4.817 -3.571 3.744 1.00 3.11 C ATOM 587 CG1 ILE A 52 4.234 -2.185 3.378 1.00 24.24 C ATOM 588 CG2 ILE A 52 4.919 -4.449 2.481 1.00 61.22 C ATOM 589 CD1 ILE A 52 4.870 -1.014 4.144 1.00 45.11 C ATOM 590 H ILE A 52 5.005 -3.107 6.396 1.00 0.00 H ATOM 591 N THR A 53 4.059 -6.729 4.791 1.00 31.21 N ATOM 592 CA THR A 53 4.589 -8.079 5.001 1.00 11.14 C ATOM 593 C THR A 53 4.473 -8.883 3.693 1.00 32.10 C ATOM 594 O THR A 53 3.372 -9.295 3.332 1.00 51.00 O ATOM 595 CB THR A 53 3.827 -8.832 6.127 1.00 31.22 C ATOM 596 OG1 THR A 53 3.903 -8.102 7.336 1.00 21.04 O ATOM 597 CG2 THR A 53 4.327 -10.263 6.405 1.00 4.11 C ATOM 598 HG1 THR A 53 3.415 -8.590 8.046 1.00 0.00 H ATOM 599 H THR A 53 3.146 -6.632 4.302 1.00 0.00 H ATOM 600 N ALA A 54 5.606 -9.079 2.999 1.00 53.40 N ATOM 601 CA ALA A 54 5.667 -9.782 1.715 1.00 54.43 C ATOM 602 C ALA A 54 6.314 -11.163 1.898 1.00 12.03 C ATOM 603 O ALA A 54 7.487 -11.352 1.571 1.00 75.30 O ATOM 604 CB ALA A 54 6.404 -8.907 0.689 1.00 53.14 C ATOM 605 H ALA A 54 6.493 -8.710 3.397 1.00 0.00 H ATOM 606 N GLY A 55 5.519 -12.104 2.431 1.00 24.42 N ATOM 607 CA GLY A 55 5.870 -13.512 2.607 1.00 12.33 C ATOM 608 C GLY A 55 6.653 -13.757 3.904 1.00 43.33 C ATOM 609 O GLY A 55 6.291 -14.660 4.658 1.00 2.42 O ATOM 610 H GLY A 55 4.573 -11.806 2.745 1.00 0.00 H ATOM 611 N SER A 56 7.711 -12.968 4.166 1.00 41.22 N ATOM 612 CA SER A 56 8.585 -13.143 5.327 1.00 42.31 C ATOM 613 C SER A 56 9.271 -11.826 5.732 1.00 12.42 C ATOM 614 O SER A 56 9.367 -11.551 6.927 1.00 31.55 O ATOM 615 CB SER A 56 9.591 -14.294 5.061 1.00 13.21 C ATOM 616 OG SER A 56 9.513 -15.275 6.073 1.00 73.30 O ATOM 617 HG SER A 56 10.163 -15.997 5.882 1.00 0.00 H ATOM 618 H SER A 56 7.919 -12.191 3.507 1.00 0.00 H ATOM 619 N LYS A 57 9.703 -11.023 4.739 1.00 75.14 N ATOM 620 CA LYS A 57 10.225 -9.665 4.936 1.00 65.20 C ATOM 621 C LYS A 57 9.132 -8.702 5.425 1.00 22.44 C ATOM 622 O LYS A 57 8.018 -8.742 4.901 1.00 75.41 O ATOM 623 CB LYS A 57 10.878 -9.146 3.631 1.00 73.42 C ATOM 624 CG LYS A 57 9.998 -9.254 2.365 1.00 12.14 C ATOM 625 CD LYS A 57 10.119 -8.075 1.385 1.00 33.11 C ATOM 626 CE LYS A 57 9.411 -6.799 1.877 1.00 43.04 C ATOM 627 NZ LYS A 57 9.263 -5.820 0.787 1.00 33.21 N ATOM 628 HZ1 LYS A 57 10.203 -5.561 0.425 1.00 0.00 H ATOM 629 HZ2 LYS A 57 8.699 -6.239 0.020 1.00 0.00 H ATOM 630 HZ3 LYS A 57 8.783 -4.971 1.148 1.00 0.00 H ATOM 631 H LYS A 57 9.664 -11.391 3.767 1.00 0.00 H ATOM 632 N VAL A 58 9.484 -7.854 6.404 1.00 53.12 N ATOM 633 CA VAL A 58 8.579 -6.866 6.985 1.00 50.15 C ATOM 634 C VAL A 58 9.224 -5.472 6.888 1.00 63.15 C ATOM 635 O VAL A 58 10.379 -5.312 7.286 1.00 11.32 O ATOM 636 CB VAL A 58 8.248 -7.163 8.477 1.00 2.13 C ATOM 637 CG1 VAL A 58 7.220 -6.177 9.068 1.00 32.33 C ATOM 638 CG2 VAL A 58 7.717 -8.596 8.673 1.00 31.23 C ATOM 639 H VAL A 58 10.456 -7.903 6.770 1.00 0.00 H ATOM 640 N ILE A 59 8.457 -4.496 6.378 1.00 74.53 N ATOM 641 CA ILE A 59 8.840 -3.086 6.299 1.00 25.34 C ATOM 642 C ILE A 59 7.829 -2.273 7.118 1.00 43.10 C ATOM 643 O ILE A 59 6.627 -2.412 6.898 1.00 10.52 O ATOM 644 CB ILE A 59 8.851 -2.559 4.831 1.00 64.13 C ATOM 645 CG1 ILE A 59 9.961 -3.258 4.015 1.00 13.51 C ATOM 646 CG2 ILE A 59 8.982 -1.021 4.709 1.00 51.00 C ATOM 647 CD1 ILE A 59 9.882 -3.002 2.506 1.00 74.51 C ATOM 648 H ILE A 59 7.521 -4.762 6.012 1.00 0.00 H ATOM 649 N GLN A 60 8.344 -1.431 8.024 1.00 63.21 N ATOM 650 CA GLN A 60 7.553 -0.526 8.854 1.00 61.53 C ATOM 651 C GLN A 60 7.929 0.915 8.504 1.00 23.32 C ATOM 652 O GLN A 60 9.110 1.262 8.538 1.00 25.00 O ATOM 653 CB GLN A 60 7.808 -0.822 10.344 1.00 34.44 C ATOM 654 CG GLN A 60 7.293 -2.211 10.777 1.00 32.21 C ATOM 655 CD GLN A 60 8.385 -3.064 11.421 1.00 62.23 C ATOM 656 OE1 GLN A 60 8.460 -3.165 12.642 1.00 31.42 O ATOM 657 NE2 GLN A 60 9.241 -3.676 10.600 1.00 14.03 N ATOM 658 HE22 GLN A 60 9.144 -3.565 9.571 1.00 0.00 H ATOM 659 HE21 GLN A 60 10.005 -4.264 10.990 1.00 0.00 H ATOM 660 H GLN A 60 9.377 -1.421 8.144 1.00 0.00 H ATOM 661 N ASN A 61 6.904 1.717 8.193 1.00 42.12 N ATOM 662 CA ASN A 61 7.007 3.143 7.884 1.00 21.02 C ATOM 663 C ASN A 61 6.139 3.927 8.858 1.00 62.24 C ATOM 664 O ASN A 61 5.057 3.469 9.222 1.00 63.35 O ATOM 665 CB ASN A 61 6.521 3.375 6.442 1.00 3.13 C ATOM 666 CG ASN A 61 7.606 3.056 5.420 1.00 12.41 C ATOM 667 OD1 ASN A 61 8.630 3.734 5.383 1.00 13.32 O ATOM 668 ND2 ASN A 61 7.384 2.041 4.589 1.00 63.24 N ATOM 669 HD22 ASN A 61 6.501 1.496 4.659 1.00 0.00 H ATOM 670 HD21 ASN A 61 8.093 1.793 3.870 1.00 0.00 H ATOM 671 H ASN A 61 5.955 1.291 8.169 1.00 0.00 H ATOM 672 N GLU A 62 6.632 5.120 9.208 1.00 70.45 N ATOM 673 CA GLU A 62 5.935 6.088 10.039 1.00 70.01 C ATOM 674 C GLU A 62 6.028 7.469 9.381 1.00 54.04 C ATOM 675 O GLU A 62 7.079 7.836 8.851 1.00 42.03 O ATOM 676 CB GLU A 62 6.523 6.058 11.464 1.00 1.04 C ATOM 677 CG GLU A 62 5.788 6.973 12.459 1.00 53.04 C ATOM 678 CD GLU A 62 6.320 6.808 13.880 1.00 71.52 C ATOM 679 OE1 GLU A 62 5.587 6.206 14.695 1.00 73.05 O ATOM 680 OE2 GLU A 62 7.459 7.264 14.117 1.00 15.34 O ATOM 681 H GLU A 62 7.580 5.373 8.862 1.00 0.00 H ATOM 682 N PHE A 63 4.918 8.211 9.461 1.00 75.23 N ATOM 683 CA PHE A 63 4.797 9.587 8.999 1.00 33.44 C ATOM 684 C PHE A 63 3.774 10.321 9.870 1.00 3.41 C ATOM 685 O PHE A 63 3.021 9.693 10.619 1.00 11.03 O ATOM 686 CB PHE A 63 4.442 9.616 7.492 1.00 12.13 C ATOM 687 CG PHE A 63 3.064 9.112 7.105 1.00 73.01 C ATOM 688 CD1 PHE A 63 2.839 7.729 6.941 1.00 22.22 C ATOM 689 CD2 PHE A 63 1.965 9.997 7.066 1.00 55.13 C ATOM 690 CE1 PHE A 63 1.561 7.267 6.674 1.00 10.13 C ATOM 691 CE2 PHE A 63 0.694 9.510 6.804 1.00 55.13 C ATOM 692 CZ PHE A 63 0.496 8.156 6.587 1.00 4.12 C ATOM 693 H PHE A 63 4.077 7.772 9.886 1.00 0.00 H ATOM 694 N THR A 64 3.765 11.650 9.735 1.00 4.55 N ATOM 695 CA THR A 64 2.818 12.538 10.395 1.00 10.02 C ATOM 696 C THR A 64 2.030 13.282 9.305 1.00 13.34 C ATOM 697 O THR A 64 2.641 13.855 8.404 1.00 72.31 O ATOM 698 CB THR A 64 3.557 13.568 11.285 1.00 62.34 C ATOM 699 OG1 THR A 64 4.349 12.883 12.235 1.00 53.55 O ATOM 700 CG2 THR A 64 2.632 14.527 12.055 1.00 63.22 C ATOM 701 HG1 THR A 64 4.822 13.541 12.804 1.00 0.00 H ATOM 702 H THR A 64 4.483 12.079 9.117 1.00 0.00 H ATOM 703 N VAL A 65 0.690 13.226 9.384 1.00 2.45 N ATOM 704 CA VAL A 65 -0.230 13.798 8.397 1.00 25.43 C ATOM 705 C VAL A 65 -0.095 15.335 8.328 1.00 63.33 C ATOM 706 O VAL A 65 -0.169 16.001 9.361 1.00 3.23 O ATOM 707 CB VAL A 65 -1.706 13.415 8.725 1.00 30.42 C ATOM 708 CG1 VAL A 65 -2.769 14.106 7.843 1.00 62.21 C ATOM 709 CG2 VAL A 65 -1.916 11.890 8.657 1.00 1.51 C ATOM 710 H VAL A 65 0.275 12.741 10.205 1.00 0.00 H ATOM 711 N GLY A 66 0.119 15.863 7.111 1.00 75.31 N ATOM 712 CA GLY A 66 0.302 17.297 6.863 1.00 43.43 C ATOM 713 C GLY A 66 1.745 17.785 7.104 1.00 13.45 C ATOM 714 O GLY A 66 2.014 18.958 6.846 1.00 53.05 O ATOM 715 H GLY A 66 0.157 15.217 6.297 1.00 0.00 H ATOM 716 N GLU A 67 2.660 16.914 7.563 1.00 65.13 N ATOM 717 CA GLU A 67 4.082 17.192 7.787 1.00 10.23 C ATOM 718 C GLU A 67 4.937 16.319 6.857 1.00 4.23 C ATOM 719 O GLU A 67 4.617 15.148 6.647 1.00 25.31 O ATOM 720 CB GLU A 67 4.418 16.897 9.269 1.00 62.00 C ATOM 721 CG GLU A 67 4.139 18.056 10.243 1.00 63.54 C ATOM 722 CD GLU A 67 5.222 19.138 10.196 1.00 71.42 C ATOM 723 OE1 GLU A 67 5.162 19.977 9.272 1.00 53.34 O ATOM 724 OE2 GLU A 67 6.096 19.102 11.091 1.00 64.31 O ATOM 725 H GLU A 67 2.328 15.952 7.780 1.00 0.00 H ATOM 726 N GLU A 68 6.021 16.912 6.329 1.00 51.44 N ATOM 727 CA GLU A 68 6.991 16.259 5.447 1.00 15.21 C ATOM 728 C GLU A 68 7.773 15.161 6.181 1.00 13.11 C ATOM 729 O GLU A 68 8.464 15.451 7.159 1.00 0.32 O ATOM 730 CB GLU A 68 7.933 17.319 4.843 1.00 10.02 C ATOM 731 CG GLU A 68 7.225 18.236 3.826 1.00 11.34 C ATOM 732 CD GLU A 68 8.121 19.368 3.331 1.00 72.15 C ATOM 733 OE1 GLU A 68 8.395 19.388 2.112 1.00 1.32 O ATOM 734 OE2 GLU A 68 8.508 20.200 4.181 1.00 41.41 O ATOM 735 H GLU A 68 6.184 17.912 6.565 1.00 0.00 H ATOM 736 N CYS A 69 7.625 13.923 5.689 1.00 61.34 N ATOM 737 CA CYS A 69 8.185 12.706 6.269 1.00 74.14 C ATOM 738 C CYS A 69 8.683 11.794 5.141 1.00 21.13 C ATOM 739 O CYS A 69 8.182 11.855 4.020 1.00 63.22 O ATOM 740 CB CYS A 69 7.146 11.966 7.131 1.00 11.22 C ATOM 741 SG CYS A 69 6.952 12.785 8.740 1.00 21.14 S ATOM 742 H CYS A 69 7.063 13.821 4.820 1.00 0.00 H ATOM 743 N GLU A 70 9.676 10.959 5.474 1.00 41.04 N ATOM 744 CA GLU A 70 10.391 10.123 4.520 1.00 74.32 C ATOM 745 C GLU A 70 9.857 8.683 4.588 1.00 40.23 C ATOM 746 O GLU A 70 9.748 8.129 5.683 1.00 63.31 O ATOM 747 CB GLU A 70 11.887 10.273 4.845 1.00 5.45 C ATOM 748 CG GLU A 70 12.822 9.836 3.709 1.00 13.22 C ATOM 749 CD GLU A 70 14.269 10.261 3.970 1.00 51.03 C ATOM 750 OE1 GLU A 70 14.883 10.800 3.023 1.00 40.54 O ATOM 751 OE2 GLU A 70 14.733 10.061 5.114 1.00 74.33 O ATOM 752 H GLU A 70 9.953 10.904 6.475 1.00 0.00 H ATOM 753 N LEU A 71 9.498 8.127 3.417 1.00 45.41 N ATOM 754 CA LEU A 71 8.830 6.832 3.278 1.00 42.31 C ATOM 755 C LEU A 71 9.684 5.875 2.432 1.00 25.40 C ATOM 756 O LEU A 71 10.130 6.253 1.350 1.00 55.02 O ATOM 757 CB LEU A 71 7.447 7.035 2.615 1.00 14.54 C ATOM 758 CG LEU A 71 6.422 7.848 3.442 1.00 14.10 C ATOM 759 CD1 LEU A 71 5.098 8.032 2.672 1.00 71.33 C ATOM 760 CD2 LEU A 71 6.177 7.249 4.841 1.00 34.32 C ATOM 761 H LEU A 71 9.711 8.656 2.547 1.00 0.00 H ATOM 762 N GLU A 72 9.856 4.646 2.943 1.00 21.21 N ATOM 763 CA GLU A 72 10.612 3.555 2.334 1.00 63.54 C ATOM 764 C GLU A 72 9.695 2.697 1.440 1.00 52.35 C ATOM 765 O GLU A 72 8.653 2.245 1.910 1.00 21.21 O ATOM 766 CB GLU A 72 11.190 2.683 3.472 1.00 25.22 C ATOM 767 CG GLU A 72 12.228 1.647 2.998 1.00 33.31 C ATOM 768 CD GLU A 72 12.400 0.472 3.962 1.00 32.31 C ATOM 769 OE1 GLU A 72 12.425 0.722 5.187 1.00 25.22 O ATOM 770 OE2 GLU A 72 12.497 -0.665 3.452 1.00 45.12 O ATOM 771 H GLU A 72 9.408 4.452 3.861 1.00 0.00 H ATOM 772 N THR A 73 10.127 2.421 0.200 1.00 30.30 N ATOM 773 CA THR A 73 9.475 1.477 -0.720 1.00 2.24 C ATOM 774 C THR A 73 9.954 0.020 -0.480 1.00 12.51 C ATOM 775 O THR A 73 10.793 -0.216 0.389 1.00 25.25 O ATOM 776 CB THR A 73 9.773 1.870 -2.193 1.00 3.54 C ATOM 777 OG1 THR A 73 11.110 1.585 -2.559 1.00 21.33 O ATOM 778 CG2 THR A 73 9.425 3.327 -2.541 1.00 60.32 C ATOM 779 HG1 THR A 73 11.279 0.615 -2.458 1.00 0.00 H ATOM 780 H THR A 73 10.983 2.909 -0.134 1.00 0.00 H ATOM 781 N MET A 74 9.427 -0.941 -1.266 1.00 41.32 N ATOM 782 CA MET A 74 9.813 -2.361 -1.227 1.00 74.31 C ATOM 783 C MET A 74 11.303 -2.644 -1.508 1.00 41.04 C ATOM 784 O MET A 74 11.829 -3.613 -0.961 1.00 75.24 O ATOM 785 CB MET A 74 8.952 -3.185 -2.205 1.00 54.51 C ATOM 786 CG MET A 74 7.455 -3.214 -1.874 1.00 23.35 C ATOM 787 SD MET A 74 6.560 -4.436 -2.870 1.00 34.21 S ATOM 788 CE MET A 74 4.884 -4.180 -2.246 1.00 73.05 C ATOM 789 H MET A 74 8.695 -0.658 -1.949 1.00 0.00 H ATOM 790 N THR A 75 11.943 -1.801 -2.336 1.00 0.31 N ATOM 791 CA THR A 75 13.365 -1.873 -2.688 1.00 52.02 C ATOM 792 C THR A 75 14.276 -1.106 -1.704 1.00 65.40 C ATOM 793 O THR A 75 15.494 -1.241 -1.815 1.00 62.51 O ATOM 794 CB THR A 75 13.609 -1.273 -4.096 1.00 54.43 C ATOM 795 OG1 THR A 75 13.142 0.058 -4.179 1.00 74.02 O ATOM 796 CG2 THR A 75 12.927 -2.072 -5.201 1.00 60.31 C ATOM 797 HG1 THR A 75 12.170 0.078 -3.993 1.00 0.00 H ATOM 798 H THR A 75 11.384 -1.035 -2.762 1.00 0.00 H ATOM 799 N GLY A 76 13.695 -0.350 -0.758 1.00 0.20 N ATOM 800 CA GLY A 76 14.441 0.386 0.260 1.00 33.43 C ATOM 801 C GLY A 76 14.665 1.858 -0.121 1.00 24.22 C ATOM 802 O GLY A 76 15.392 2.541 0.600 1.00 62.43 O ATOM 803 H GLY A 76 12.657 -0.285 -0.750 1.00 0.00 H ATOM 804 N GLU A 77 14.070 2.354 -1.224 1.00 71.12 N ATOM 805 CA GLU A 77 14.166 3.749 -1.672 1.00 74.34 C ATOM 806 C GLU A 77 13.416 4.683 -0.711 1.00 12.44 C ATOM 807 O GLU A 77 12.191 4.606 -0.627 1.00 51.41 O ATOM 808 CB GLU A 77 13.588 3.895 -3.092 1.00 0.31 C ATOM 809 CG GLU A 77 14.375 3.134 -4.177 1.00 62.42 C ATOM 810 CD GLU A 77 13.640 3.030 -5.519 1.00 11.33 C ATOM 811 OE1 GLU A 77 12.449 3.411 -5.584 1.00 23.52 O ATOM 812 OE2 GLU A 77 14.281 2.518 -6.462 1.00 43.23 O ATOM 813 H GLU A 77 13.501 1.701 -1.800 1.00 0.00 H ATOM 814 N LYS A 78 14.174 5.543 -0.017 1.00 20.03 N ATOM 815 CA LYS A 78 13.643 6.537 0.907 1.00 22.34 C ATOM 816 C LYS A 78 13.458 7.883 0.199 1.00 53.43 C ATOM 817 O LYS A 78 14.398 8.393 -0.412 1.00 45.22 O ATOM 818 CB LYS A 78 14.549 6.613 2.148 1.00 13.10 C ATOM 819 CG LYS A 78 14.296 5.421 3.086 1.00 51.33 C ATOM 820 CD LYS A 78 14.926 5.585 4.473 1.00 24.11 C ATOM 821 CE LYS A 78 14.510 4.446 5.415 1.00 71.12 C ATOM 822 NZ LYS A 78 15.047 4.643 6.770 1.00 33.21 N ATOM 823 HZ1 LYS A 78 16.086 4.674 6.729 1.00 0.00 H ATOM 824 HZ2 LYS A 78 14.687 5.539 7.157 1.00 0.00 H ATOM 825 HZ3 LYS A 78 14.746 3.855 7.379 1.00 0.00 H ATOM 826 H LYS A 78 15.205 5.498 -0.146 1.00 0.00 H ATOM 827 N VAL A 79 12.223 8.398 0.276 1.00 51.34 N ATOM 828 CA VAL A 79 11.747 9.562 -0.464 1.00 71.33 C ATOM 829 C VAL A 79 10.795 10.399 0.409 1.00 62.24 C ATOM 830 O VAL A 79 9.822 9.872 0.949 1.00 54.23 O ATOM 831 CB VAL A 79 11.012 9.152 -1.778 1.00 42.22 C ATOM 832 CG1 VAL A 79 11.997 8.907 -2.933 1.00 41.33 C ATOM 833 CG2 VAL A 79 10.076 7.933 -1.623 1.00 3.45 C ATOM 834 H VAL A 79 11.549 7.930 0.915 1.00 0.00 H ATOM 835 N LYS A 80 11.118 11.698 0.525 1.00 14.30 N ATOM 836 CA LYS A 80 10.332 12.702 1.242 1.00 40.44 C ATOM 837 C LYS A 80 9.048 13.068 0.488 1.00 75.51 C ATOM 838 O LYS A 80 9.089 13.320 -0.717 1.00 22.12 O ATOM 839 CB LYS A 80 11.213 13.936 1.518 1.00 41.01 C ATOM 840 CG LYS A 80 12.103 13.761 2.761 1.00 13.14 C ATOM 841 CD LYS A 80 13.320 14.700 2.753 1.00 43.25 C ATOM 842 CE LYS A 80 14.020 14.819 4.113 1.00 52.15 C ATOM 843 NZ LYS A 80 13.274 15.707 5.022 1.00 35.22 N ATOM 844 HZ1 LYS A 80 13.206 16.655 4.600 1.00 0.00 H ATOM 845 HZ2 LYS A 80 12.319 15.324 5.173 1.00 0.00 H ATOM 846 HZ3 LYS A 80 13.773 15.767 5.933 1.00 0.00 H ATOM 847 H LYS A 80 11.997 12.015 0.069 1.00 0.00 H ATOM 848 N THR A 81 7.939 13.089 1.236 1.00 52.13 N ATOM 849 CA THR A 81 6.592 13.344 0.738 1.00 61.22 C ATOM 850 C THR A 81 5.672 13.732 1.918 1.00 64.20 C ATOM 851 O THR A 81 6.064 13.585 3.077 1.00 34.43 O ATOM 852 CB THR A 81 6.029 12.090 0.003 1.00 74.20 C ATOM 853 OG1 THR A 81 4.803 12.376 -0.634 1.00 35.03 O ATOM 854 CG2 THR A 81 5.780 10.870 0.908 1.00 72.11 C ATOM 855 HG1 THR A 81 4.938 13.097 -1.299 1.00 0.00 H ATOM 856 H THR A 81 8.046 12.909 2.255 1.00 0.00 H ATOM 857 N VAL A 82 4.455 14.197 1.606 1.00 42.02 N ATOM 858 CA VAL A 82 3.405 14.446 2.590 1.00 4.43 C ATOM 859 C VAL A 82 2.152 13.660 2.168 1.00 42.04 C ATOM 860 O VAL A 82 1.869 13.553 0.972 1.00 15.52 O ATOM 861 CB VAL A 82 2.995 15.945 2.671 1.00 34.41 C ATOM 862 CG1 VAL A 82 2.288 16.245 4.004 1.00 23.22 C ATOM 863 CG2 VAL A 82 4.180 16.911 2.540 1.00 34.51 C ATOM 864 H VAL A 82 4.246 14.392 0.606 1.00 0.00 H ATOM 865 N VAL A 83 1.422 13.145 3.167 1.00 33.14 N ATOM 866 CA VAL A 83 0.170 12.422 2.976 1.00 41.23 C ATOM 867 C VAL A 83 -0.978 13.280 3.556 1.00 55.32 C ATOM 868 O VAL A 83 -0.902 13.682 4.719 1.00 62.25 O ATOM 869 CB VAL A 83 0.202 11.053 3.716 1.00 42.34 C ATOM 870 CG1 VAL A 83 -1.023 10.186 3.389 1.00 34.32 C ATOM 871 CG2 VAL A 83 1.486 10.238 3.451 1.00 70.35 C ATOM 872 H VAL A 83 1.770 13.269 4.139 1.00 0.00 H ATOM 873 N GLN A 84 -2.004 13.551 2.728 1.00 25.22 N ATOM 874 CA GLN A 84 -3.218 14.301 3.080 1.00 3.45 C ATOM 875 C GLN A 84 -4.445 13.381 3.051 1.00 65.02 C ATOM 876 O GLN A 84 -4.559 12.575 2.130 1.00 64.33 O ATOM 877 CB GLN A 84 -3.451 15.464 2.076 1.00 23.44 C ATOM 878 CG GLN A 84 -3.020 16.856 2.573 1.00 10.31 C ATOM 879 CD GLN A 84 -1.539 17.134 2.348 1.00 13.22 C ATOM 880 OE1 GLN A 84 -1.151 17.714 1.337 1.00 3.33 O ATOM 881 NE2 GLN A 84 -0.707 16.726 3.300 1.00 25.34 N ATOM 882 HE22 GLN A 84 -1.078 16.238 4.140 1.00 0.00 H ATOM 883 HE21 GLN A 84 0.315 16.894 3.205 1.00 0.00 H ATOM 884 H GLN A 84 -1.931 13.198 1.752 1.00 0.00 H ATOM 885 N LEU A 85 -5.371 13.581 4.005 1.00 64.15 N ATOM 886 CA LEU A 85 -6.702 12.968 4.000 1.00 43.35 C ATOM 887 C LEU A 85 -7.698 13.926 3.320 1.00 43.35 C ATOM 888 O LEU A 85 -7.689 15.117 3.634 1.00 61.41 O ATOM 889 CB LEU A 85 -7.136 12.680 5.458 1.00 12.42 C ATOM 890 CG LEU A 85 -8.348 11.727 5.611 1.00 24.51 C ATOM 891 CD1 LEU A 85 -7.964 10.250 5.444 1.00 10.43 C ATOM 892 CD2 LEU A 85 -9.086 11.943 6.939 1.00 15.12 C ATOM 893 H LEU A 85 -5.127 14.210 4.796 1.00 0.00 H ATOM 894 N GLU A 86 -8.575 13.386 2.456 1.00 4.13 N ATOM 895 CA GLU A 86 -9.686 14.124 1.833 1.00 22.11 C ATOM 896 C GLU A 86 -10.974 14.130 2.690 1.00 13.11 C ATOM 897 O GLU A 86 -12.028 14.510 2.182 1.00 35.42 O ATOM 898 CB GLU A 86 -9.920 13.595 0.399 1.00 31.11 C ATOM 899 CG GLU A 86 -10.359 12.123 0.319 1.00 25.42 C ATOM 900 CD GLU A 86 -10.617 11.666 -1.115 1.00 62.40 C ATOM 901 OE1 GLU A 86 -11.809 11.539 -1.470 1.00 5.24 O ATOM 902 OE2 GLU A 86 -9.618 11.422 -1.826 1.00 32.35 O ATOM 903 H GLU A 86 -8.461 12.381 2.212 1.00 0.00 H ATOM 904 N GLY A 87 -10.878 13.718 3.969 1.00 63.34 N ATOM 905 CA GLY A 87 -11.987 13.671 4.925 1.00 3.33 C ATOM 906 C GLY A 87 -12.969 12.517 4.655 1.00 3.04 C ATOM 907 O GLY A 87 -14.072 12.543 5.201 1.00 12.15 O ATOM 908 H GLY A 87 -9.943 13.409 4.304 1.00 0.00 H ATOM 909 N ASP A 88 -12.592 11.537 3.815 1.00 40.23 N ATOM 910 CA ASP A 88 -13.470 10.474 3.328 1.00 62.51 C ATOM 911 C ASP A 88 -12.698 9.142 3.285 1.00 60.40 C ATOM 912 O ASP A 88 -12.712 8.456 2.266 1.00 24.33 O ATOM 913 CB ASP A 88 -14.103 10.868 1.963 1.00 42.02 C ATOM 914 CG ASP A 88 -15.218 9.936 1.467 1.00 44.04 C ATOM 915 OD1 ASP A 88 -16.016 9.480 2.316 1.00 52.22 O ATOM 916 OD2 ASP A 88 -15.289 9.747 0.234 1.00 44.45 O ATOM 917 H ASP A 88 -11.605 11.535 3.488 1.00 0.00 H ATOM 918 N ASN A 89 -12.055 8.765 4.410 1.00 64.35 N ATOM 919 CA ASN A 89 -11.365 7.473 4.624 1.00 24.20 C ATOM 920 C ASN A 89 -10.234 7.162 3.607 1.00 73.45 C ATOM 921 O ASN A 89 -9.887 5.998 3.402 1.00 54.21 O ATOM 922 CB ASN A 89 -12.331 6.253 4.854 1.00 51.24 C ATOM 923 CG ASN A 89 -13.842 6.477 4.685 1.00 34.03 C ATOM 924 OD1 ASN A 89 -14.454 7.244 5.425 1.00 5.52 O ATOM 925 ND2 ASN A 89 -14.448 5.815 3.698 1.00 5.23 N ATOM 926 HD22 ASN A 89 -13.901 5.173 3.090 1.00 0.00 H ATOM 927 HD21 ASN A 89 -15.468 5.941 3.537 1.00 0.00 H ATOM 928 H ASN A 89 -12.043 9.444 5.198 1.00 0.00 H ATOM 929 N LYS A 90 -9.699 8.212 2.965 1.00 54.10 N ATOM 930 CA LYS A 90 -8.873 8.140 1.764 1.00 35.30 C ATOM 931 C LYS A 90 -7.657 9.060 1.917 1.00 73.22 C ATOM 932 O LYS A 90 -7.838 10.261 2.107 1.00 34.12 O ATOM 933 CB LYS A 90 -9.753 8.547 0.556 1.00 31.23 C ATOM 934 CG LYS A 90 -10.702 7.433 0.090 1.00 30.42 C ATOM 935 CD LYS A 90 -11.908 7.885 -0.745 1.00 53.30 C ATOM 936 CE LYS A 90 -11.583 8.105 -2.224 1.00 33.23 C ATOM 937 NZ LYS A 90 -12.822 8.206 -3.009 1.00 74.52 N ATOM 938 HZ1 LYS A 90 -13.368 7.326 -2.908 1.00 0.00 H ATOM 939 HZ2 LYS A 90 -13.386 9.008 -2.662 1.00 0.00 H ATOM 940 HZ3 LYS A 90 -12.585 8.355 -4.011 1.00 0.00 H ATOM 941 H LYS A 90 -9.889 9.157 3.356 1.00 0.00 H ATOM 942 N LEU A 91 -6.450 8.476 1.830 1.00 34.31 N ATOM 943 CA LEU A 91 -5.169 9.181 1.924 1.00 33.44 C ATOM 944 C LEU A 91 -4.527 9.292 0.529 1.00 13.15 C ATOM 945 O LEU A 91 -4.446 8.294 -0.184 1.00 4.34 O ATOM 946 CB LEU A 91 -4.231 8.426 2.899 1.00 65.32 C ATOM 947 CG LEU A 91 -4.566 8.594 4.400 1.00 42.13 C ATOM 948 CD1 LEU A 91 -3.795 7.586 5.264 1.00 54.41 C ATOM 949 CD2 LEU A 91 -4.316 10.025 4.914 1.00 54.21 C ATOM 950 H LEU A 91 -6.423 7.446 1.685 1.00 0.00 H ATOM 951 N VAL A 92 -4.063 10.501 0.179 1.00 54.53 N ATOM 952 CA VAL A 92 -3.430 10.819 -1.102 1.00 60.42 C ATOM 953 C VAL A 92 -1.996 11.317 -0.847 1.00 35.55 C ATOM 954 O VAL A 92 -1.792 12.129 0.057 1.00 51.04 O ATOM 955 CB VAL A 92 -4.223 11.931 -1.854 1.00 5.23 C ATOM 956 CG1 VAL A 92 -3.553 12.416 -3.159 1.00 61.13 C ATOM 957 CG2 VAL A 92 -5.665 11.481 -2.161 1.00 52.10 C ATOM 958 H VAL A 92 -4.160 11.271 0.871 1.00 0.00 H ATOM 959 N THR A 93 -1.038 10.838 -1.660 1.00 11.11 N ATOM 960 CA THR A 93 0.382 11.181 -1.553 1.00 41.34 C ATOM 961 C THR A 93 1.091 11.023 -2.919 1.00 23.01 C ATOM 962 O THR A 93 0.672 10.202 -3.733 1.00 54.13 O ATOM 963 CB THR A 93 1.078 10.351 -0.431 1.00 63.33 C ATOM 964 OG1 THR A 93 2.430 10.723 -0.263 1.00 52.35 O ATOM 965 CG2 THR A 93 1.077 8.825 -0.615 1.00 52.23 C ATOM 966 HG1 THR A 93 2.479 11.681 -0.017 1.00 0.00 H ATOM 967 H THR A 93 -1.324 10.181 -2.414 1.00 0.00 H ATOM 968 N THR A 94 2.126 11.845 -3.166 1.00 24.01 N ATOM 969 CA THR A 94 2.856 11.911 -4.437 1.00 3.44 C ATOM 970 C THR A 94 4.336 12.231 -4.171 1.00 55.50 C ATOM 971 O THR A 94 4.642 13.172 -3.438 1.00 71.02 O ATOM 972 CB THR A 94 2.315 13.029 -5.377 1.00 73.10 C ATOM 973 OG1 THR A 94 2.125 14.244 -4.675 1.00 75.11 O ATOM 974 CG2 THR A 94 1.000 12.680 -6.081 1.00 5.42 C ATOM 975 HG1 THR A 94 2.989 14.542 -4.294 1.00 0.00 H ATOM 976 H THR A 94 2.431 12.480 -2.401 1.00 0.00 H ATOM 977 N PHE A 95 5.215 11.447 -4.814 1.00 14.24 N ATOM 978 CA PHE A 95 6.669 11.513 -4.658 1.00 65.02 C ATOM 979 C PHE A 95 7.292 12.338 -5.793 1.00 64.35 C ATOM 980 O PHE A 95 7.905 13.372 -5.530 1.00 62.25 O ATOM 981 CB PHE A 95 7.244 10.077 -4.659 1.00 14.41 C ATOM 982 CG PHE A 95 6.644 9.153 -3.620 1.00 43.44 C ATOM 983 CD1 PHE A 95 5.505 8.374 -3.925 1.00 41.13 C ATOM 984 CD2 PHE A 95 7.106 9.193 -2.292 1.00 2.13 C ATOM 985 CE1 PHE A 95 4.898 7.610 -2.939 1.00 50.23 C ATOM 986 CE2 PHE A 95 6.504 8.402 -1.326 1.00 40.31 C ATOM 987 CZ PHE A 95 5.403 7.622 -1.645 1.00 24.25 C ATOM 988 H PHE A 95 4.834 10.739 -5.473 1.00 0.00 H ATOM 989 N LYS A 96 7.140 11.835 -7.029 1.00 32.12 N ATOM 990 CA LYS A 96 7.735 12.362 -8.253 1.00 21.20 C ATOM 991 C LYS A 96 6.692 12.264 -9.375 1.00 30.35 C ATOM 992 O LYS A 96 6.128 13.283 -9.770 1.00 65.23 O ATOM 993 CB LYS A 96 9.026 11.576 -8.599 1.00 22.05 C ATOM 994 CG LYS A 96 10.210 11.832 -7.651 1.00 54.05 C ATOM 995 CD LYS A 96 11.458 11.029 -8.060 1.00 11.20 C ATOM 996 CE LYS A 96 12.692 11.326 -7.198 1.00 31.35 C ATOM 997 NZ LYS A 96 13.194 12.693 -7.419 1.00 64.50 N ATOM 998 HZ1 LYS A 96 13.457 12.807 -8.419 1.00 0.00 H ATOM 999 HZ2 LYS A 96 12.450 13.378 -7.175 1.00 0.00 H ATOM 1000 HZ3 LYS A 96 14.028 12.856 -6.819 1.00 0.00 H ATOM 1001 H LYS A 96 6.541 10.990 -7.123 1.00 0.00 H ATOM 1002 N ASN A 97 6.461 11.029 -9.846 1.00 4.33 N ATOM 1003 CA ASN A 97 5.536 10.672 -10.925 1.00 42.03 C ATOM 1004 C ASN A 97 4.549 9.561 -10.507 1.00 11.13 C ATOM 1005 O ASN A 97 3.699 9.194 -11.318 1.00 74.45 O ATOM 1006 CB ASN A 97 6.342 10.299 -12.199 1.00 73.41 C ATOM 1007 CG ASN A 97 7.213 9.032 -12.107 1.00 33.21 C ATOM 1008 OD1 ASN A 97 7.749 8.696 -11.053 1.00 12.35 O ATOM 1009 ND2 ASN A 97 7.380 8.335 -13.231 1.00 41.02 N ATOM 1010 HD22 ASN A 97 6.914 8.643 -14.108 1.00 0.00 H ATOM 1011 HD21 ASN A 97 7.976 7.483 -13.231 1.00 0.00 H ATOM 1012 H ASN A 97 6.989 10.250 -9.403 1.00 0.00 H ATOM 1013 N ILE A 98 4.679 9.053 -9.270 1.00 23.03 N ATOM 1014 CA ILE A 98 3.867 7.985 -8.695 1.00 51.44 C ATOM 1015 C ILE A 98 2.757 8.625 -7.841 1.00 44.44 C ATOM 1016 O ILE A 98 3.056 9.212 -6.800 1.00 31.42 O ATOM 1017 CB ILE A 98 4.734 7.061 -7.788 1.00 3.34 C ATOM 1018 CG1 ILE A 98 5.864 6.371 -8.584 1.00 30.43 C ATOM 1019 CG2 ILE A 98 3.916 5.998 -7.022 1.00 43.32 C ATOM 1020 CD1 ILE A 98 7.066 5.963 -7.722 1.00 15.22 C ATOM 1021 H ILE A 98 5.425 9.457 -8.668 1.00 0.00 H ATOM 1022 N LYS A 99 1.506 8.509 -8.314 1.00 15.44 N ATOM 1023 CA LYS A 99 0.325 9.101 -7.696 1.00 55.43 C ATOM 1024 C LYS A 99 -0.465 8.032 -6.933 1.00 2.13 C ATOM 1025 O LYS A 99 -1.234 7.288 -7.539 1.00 41.34 O ATOM 1026 CB LYS A 99 -0.506 9.804 -8.791 1.00 20.53 C ATOM 1027 CG LYS A 99 -1.709 10.602 -8.260 1.00 52.20 C ATOM 1028 CD LYS A 99 -2.497 11.280 -9.394 1.00 13.25 C ATOM 1029 CE LYS A 99 -3.582 12.247 -8.898 1.00 33.04 C ATOM 1030 NZ LYS A 99 -2.997 13.451 -8.283 1.00 74.33 N ATOM 1031 HZ1 LYS A 99 -2.409 13.173 -7.472 1.00 0.00 H ATOM 1032 HZ2 LYS A 99 -2.411 13.947 -8.984 1.00 0.00 H ATOM 1033 HZ3 LYS A 99 -3.760 14.080 -7.960 1.00 0.00 H ATOM 1034 H LYS A 99 1.369 7.957 -9.185 1.00 0.00 H ATOM 1035 N SER A 100 -0.250 7.995 -5.611 1.00 51.40 N ATOM 1036 CA SER A 100 -0.938 7.120 -4.669 1.00 50.02 C ATOM 1037 C SER A 100 -2.291 7.715 -4.258 1.00 20.02 C ATOM 1038 O SER A 100 -2.348 8.877 -3.854 1.00 52.41 O ATOM 1039 CB SER A 100 -0.025 6.946 -3.446 1.00 21.24 C ATOM 1040 OG SER A 100 -0.609 6.170 -2.418 1.00 51.14 O ATOM 1041 HG SER A 100 0.025 6.095 -1.662 1.00 0.00 H ATOM 1042 H SER A 100 0.466 8.643 -5.225 1.00 0.00 H ATOM 1043 N VAL A 101 -3.332 6.876 -4.327 1.00 12.23 N ATOM 1044 CA VAL A 101 -4.673 7.159 -3.837 1.00 11.14 C ATOM 1045 C VAL A 101 -5.148 5.902 -3.086 1.00 31.22 C ATOM 1046 O VAL A 101 -5.536 4.911 -3.706 1.00 21.13 O ATOM 1047 CB VAL A 101 -5.669 7.499 -4.987 1.00 22.24 C ATOM 1048 CG1 VAL A 101 -7.118 7.709 -4.496 1.00 43.41 C ATOM 1049 CG2 VAL A 101 -5.215 8.733 -5.789 1.00 53.11 C ATOM 1050 H VAL A 101 -3.169 5.947 -4.766 1.00 0.00 H ATOM 1051 N THR A 102 -5.081 5.978 -1.752 1.00 21.03 N ATOM 1052 CA THR A 102 -5.590 4.972 -0.826 1.00 40.45 C ATOM 1053 C THR A 102 -7.085 5.211 -0.570 1.00 53.33 C ATOM 1054 O THR A 102 -7.525 6.361 -0.583 1.00 42.31 O ATOM 1055 CB THR A 102 -4.869 5.079 0.544 1.00 1.15 C ATOM 1056 OG1 THR A 102 -3.477 4.991 0.329 1.00 31.05 O ATOM 1057 CG2 THR A 102 -5.267 4.033 1.604 1.00 54.15 C ATOM 1058 HG1 THR A 102 -3.005 5.058 1.197 1.00 0.00 H ATOM 1059 H THR A 102 -4.630 6.821 -1.343 1.00 0.00 H ATOM 1060 N GLU A 103 -7.821 4.121 -0.318 1.00 54.52 N ATOM 1061 CA GLU A 103 -9.235 4.128 0.015 1.00 52.34 C ATOM 1062 C GLU A 103 -9.537 2.967 0.964 1.00 42.33 C ATOM 1063 O GLU A 103 -9.160 1.833 0.681 1.00 43.54 O ATOM 1064 CB GLU A 103 -10.077 4.104 -1.286 1.00 44.25 C ATOM 1065 CG GLU A 103 -11.599 3.994 -1.071 1.00 21.42 C ATOM 1066 CD GLU A 103 -12.384 4.010 -2.382 1.00 51.23 C ATOM 1067 OE1 GLU A 103 -13.109 3.020 -2.621 1.00 50.10 O ATOM 1068 OE2 GLU A 103 -12.260 5.015 -3.117 1.00 73.43 O ATOM 1069 H GLU A 103 -7.343 3.198 -0.364 1.00 0.00 H ATOM 1070 N LEU A 104 -10.238 3.282 2.060 1.00 63.31 N ATOM 1071 CA LEU A 104 -10.729 2.320 3.037 1.00 75.03 C ATOM 1072 C LEU A 104 -12.263 2.340 2.964 1.00 54.03 C ATOM 1073 O LEU A 104 -12.858 3.415 2.987 1.00 50.31 O ATOM 1074 CB LEU A 104 -10.158 2.710 4.421 1.00 60.43 C ATOM 1075 CG LEU A 104 -10.296 1.632 5.516 1.00 71.44 C ATOM 1076 CD1 LEU A 104 -9.259 1.849 6.627 1.00 11.31 C ATOM 1077 CD2 LEU A 104 -11.715 1.545 6.091 1.00 71.31 C ATOM 1078 H LEU A 104 -10.447 4.287 2.226 1.00 0.00 H ATOM 1079 N ASN A 105 -12.874 1.151 2.861 1.00 53.33 N ATOM 1080 CA ASN A 105 -14.321 0.916 2.821 1.00 41.15 C ATOM 1081 C ASN A 105 -14.611 -0.219 3.812 1.00 42.44 C ATOM 1082 O ASN A 105 -14.725 -1.375 3.403 1.00 34.24 O ATOM 1083 CB ASN A 105 -14.748 0.558 1.368 1.00 71.04 C ATOM 1084 CG ASN A 105 -15.166 1.743 0.488 1.00 21.31 C ATOM 1085 OD1 ASN A 105 -16.213 1.689 -0.154 1.00 60.12 O ATOM 1086 ND2 ASN A 105 -14.371 2.810 0.429 1.00 61.15 N ATOM 1087 HD22 ASN A 105 -13.490 2.833 0.981 1.00 0.00 H ATOM 1088 HD21 ASN A 105 -14.631 3.620 -0.169 1.00 0.00 H ATOM 1089 H ASN A 105 -12.261 0.313 2.804 1.00 0.00 H ATOM 1090 N GLY A 106 -14.728 0.141 5.103 1.00 53.43 N ATOM 1091 CA GLY A 106 -15.053 -0.775 6.199 1.00 15.45 C ATOM 1092 C GLY A 106 -13.952 -1.827 6.391 1.00 40.21 C ATOM 1093 O GLY A 106 -12.848 -1.508 6.833 1.00 33.32 O ATOM 1094 H GLY A 106 -14.577 1.142 5.340 1.00 0.00 H ATOM 1095 N ASP A 107 -14.282 -3.088 6.081 1.00 63.21 N ATOM 1096 CA ASP A 107 -13.373 -4.235 6.120 1.00 3.00 C ATOM 1097 C ASP A 107 -12.519 -4.389 4.842 1.00 24.04 C ATOM 1098 O ASP A 107 -11.673 -5.277 4.826 1.00 24.43 O ATOM 1099 CB ASP A 107 -14.081 -5.577 6.463 1.00 71.13 C ATOM 1100 CG ASP A 107 -15.393 -5.874 5.731 1.00 34.54 C ATOM 1101 OD1 ASP A 107 -15.456 -6.980 5.150 1.00 12.21 O ATOM 1102 OD2 ASP A 107 -16.325 -5.047 5.830 1.00 11.44 O ATOM 1103 H ASP A 107 -15.264 -3.267 5.789 1.00 0.00 H ATOM 1104 N ILE A 108 -12.730 -3.566 3.803 1.00 41.31 N ATOM 1105 CA ILE A 108 -12.025 -3.669 2.521 1.00 54.41 C ATOM 1106 C ILE A 108 -11.077 -2.465 2.352 1.00 35.12 C ATOM 1107 O ILE A 108 -11.469 -1.337 2.649 1.00 12.13 O ATOM 1108 CB ILE A 108 -13.025 -3.670 1.323 1.00 13.45 C ATOM 1109 CG1 ILE A 108 -14.151 -4.721 1.484 1.00 60.11 C ATOM 1110 CG2 ILE A 108 -12.336 -3.826 -0.054 1.00 4.02 C ATOM 1111 CD1 ILE A 108 -13.677 -6.167 1.688 1.00 44.22 C ATOM 1112 H ILE A 108 -13.436 -2.810 3.914 1.00 0.00 H ATOM 1113 N ILE A 109 -9.866 -2.732 1.841 1.00 74.23 N ATOM 1114 CA ILE A 109 -8.908 -1.718 1.398 1.00 4.12 C ATOM 1115 C ILE A 109 -8.828 -1.787 -0.132 1.00 24.33 C ATOM 1116 O ILE A 109 -8.746 -2.880 -0.690 1.00 10.44 O ATOM 1117 CB ILE A 109 -7.468 -1.976 1.937 1.00 30.14 C ATOM 1118 CG1 ILE A 109 -7.443 -2.147 3.465 1.00 41.34 C ATOM 1119 CG2 ILE A 109 -6.433 -0.911 1.505 1.00 14.51 C ATOM 1120 CD1 ILE A 109 -8.091 -0.998 4.249 1.00 14.15 C ATOM 1121 H ILE A 109 -9.588 -3.730 1.753 1.00 0.00 H ATOM 1122 N THR A 110 -8.824 -0.606 -0.757 1.00 1.24 N ATOM 1123 CA THR A 110 -8.663 -0.401 -2.187 1.00 2.01 C ATOM 1124 C THR A 110 -7.528 0.617 -2.357 1.00 11.02 C ATOM 1125 O THR A 110 -7.665 1.755 -1.921 1.00 65.21 O ATOM 1126 CB THR A 110 -9.962 0.183 -2.803 1.00 63.44 C ATOM 1127 OG1 THR A 110 -10.994 -0.778 -2.701 1.00 10.32 O ATOM 1128 CG2 THR A 110 -9.859 0.613 -4.279 1.00 14.12 C ATOM 1129 HG1 THR A 110 -11.826 -0.410 -3.093 1.00 0.00 H ATOM 1130 H THR A 110 -8.947 0.242 -0.168 1.00 0.00 H ATOM 1131 N ASN A 111 -6.417 0.190 -2.967 1.00 4.42 N ATOM 1132 CA ASN A 111 -5.262 1.045 -3.213 1.00 41.41 C ATOM 1133 C ASN A 111 -5.052 1.154 -4.727 1.00 25.51 C ATOM 1134 O ASN A 111 -4.958 0.128 -5.398 1.00 44.13 O ATOM 1135 CB ASN A 111 -4.019 0.461 -2.509 1.00 71.22 C ATOM 1136 CG ASN A 111 -2.946 1.529 -2.306 1.00 40.21 C ATOM 1137 OD1 ASN A 111 -2.089 1.718 -3.163 1.00 71.32 O ATOM 1138 ND2 ASN A 111 -3.012 2.245 -1.183 1.00 75.33 N ATOM 1139 HD22 ASN A 111 -3.757 2.049 -0.484 1.00 0.00 H ATOM 1140 HD21 ASN A 111 -2.319 3.000 -1.006 1.00 0.00 H ATOM 1141 H ASN A 111 -6.375 -0.800 -3.281 1.00 0.00 H ATOM 1142 N THR A 112 -4.984 2.397 -5.222 1.00 53.13 N ATOM 1143 CA THR A 112 -4.800 2.719 -6.631 1.00 11.14 C ATOM 1144 C THR A 112 -3.572 3.630 -6.763 1.00 72.12 C ATOM 1145 O THR A 112 -3.605 4.771 -6.302 1.00 3.42 O ATOM 1146 CB THR A 112 -6.042 3.462 -7.193 1.00 43.34 C ATOM 1147 OG1 THR A 112 -7.159 2.597 -7.126 1.00 2.33 O ATOM 1148 CG2 THR A 112 -5.914 3.952 -8.649 1.00 75.43 C ATOM 1149 HG1 THR A 112 -7.957 3.062 -7.482 1.00 0.00 H ATOM 1150 H THR A 112 -5.069 3.189 -4.553 1.00 0.00 H ATOM 1151 N MET A 113 -2.516 3.102 -7.395 1.00 33.33 N ATOM 1152 CA MET A 113 -1.303 3.836 -7.753 1.00 14.52 C ATOM 1153 C MET A 113 -1.299 4.098 -9.266 1.00 63.35 C ATOM 1154 O MET A 113 -1.822 3.281 -10.024 1.00 24.01 O ATOM 1155 CB MET A 113 -0.063 3.012 -7.363 1.00 72.25 C ATOM 1156 CG MET A 113 0.083 2.763 -5.853 1.00 73.43 C ATOM 1157 SD MET A 113 1.550 1.802 -5.382 1.00 13.52 S ATOM 1158 CE MET A 113 2.865 2.968 -5.810 1.00 74.34 C ATOM 1159 H MET A 113 -2.562 2.095 -7.650 1.00 0.00 H ATOM 1160 N THR A 114 -0.676 5.211 -9.681 1.00 32.13 N ATOM 1161 CA THR A 114 -0.510 5.567 -11.089 1.00 42.22 C ATOM 1162 C THR A 114 0.888 6.175 -11.296 1.00 0.11 C ATOM 1163 O THR A 114 1.111 7.327 -10.925 1.00 21.22 O ATOM 1164 CB THR A 114 -1.600 6.561 -11.584 1.00 60.32 C ATOM 1165 OG1 THR A 114 -2.873 5.950 -11.502 1.00 24.42 O ATOM 1166 CG2 THR A 114 -1.420 7.076 -13.025 1.00 14.11 C ATOM 1167 HG1 THR A 114 -3.564 6.585 -11.818 1.00 0.00 H ATOM 1168 H THR A 114 -0.290 5.856 -8.962 1.00 0.00 H ATOM 1169 N LEU A 115 1.794 5.378 -11.886 1.00 21.12 N ATOM 1170 CA LEU A 115 3.148 5.772 -12.275 1.00 60.44 C ATOM 1171 C LEU A 115 3.149 5.986 -13.792 1.00 65.03 C ATOM 1172 O LEU A 115 3.184 5.005 -14.534 1.00 40.30 O ATOM 1173 CB LEU A 115 4.141 4.676 -11.808 1.00 71.20 C ATOM 1174 CG LEU A 115 5.654 4.975 -11.995 1.00 64.42 C ATOM 1175 CD1 LEU A 115 6.513 4.015 -11.145 1.00 63.12 C ATOM 1176 CD2 LEU A 115 6.141 4.936 -13.457 1.00 41.41 C ATOM 1177 H LEU A 115 1.509 4.398 -12.083 1.00 0.00 H ATOM 1178 N GLY A 116 3.112 7.258 -14.227 1.00 32.33 N ATOM 1179 CA GLY A 116 3.113 7.642 -15.643 1.00 42.31 C ATOM 1180 C GLY A 116 1.877 7.078 -16.364 1.00 63.24 C ATOM 1181 O GLY A 116 0.750 7.348 -15.952 1.00 0.22 O ATOM 1182 H GLY A 116 3.081 8.016 -13.516 1.00 0.00 H ATOM 1183 N ASP A 117 2.113 6.294 -17.431 1.00 54.35 N ATOM 1184 CA ASP A 117 1.099 5.559 -18.203 1.00 41.53 C ATOM 1185 C ASP A 117 0.712 4.176 -17.631 1.00 24.53 C ATOM 1186 O ASP A 117 -0.102 3.497 -18.256 1.00 53.24 O ATOM 1187 CB ASP A 117 1.475 5.450 -19.706 1.00 34.34 C ATOM 1188 CG ASP A 117 1.525 6.795 -20.435 1.00 71.45 C ATOM 1189 OD1 ASP A 117 2.458 6.973 -21.248 1.00 54.42 O ATOM 1190 OD2 ASP A 117 0.560 7.572 -20.259 1.00 5.11 O ATOM 1191 H ASP A 117 3.102 6.199 -17.738 1.00 0.00 H ATOM 1192 N ILE A 118 1.255 3.776 -16.468 1.00 50.40 N ATOM 1193 CA ILE A 118 0.909 2.518 -15.792 1.00 20.31 C ATOM 1194 C ILE A 118 -0.030 2.825 -14.613 1.00 73.14 C ATOM 1195 O ILE A 118 0.191 3.813 -13.914 1.00 75.42 O ATOM 1196 CB ILE A 118 2.175 1.800 -15.237 1.00 24.41 C ATOM 1197 CG1 ILE A 118 3.180 1.467 -16.364 1.00 21.33 C ATOM 1198 CG2 ILE A 118 1.868 0.522 -14.421 1.00 72.14 C ATOM 1199 CD1 ILE A 118 4.636 1.532 -15.897 1.00 21.22 C ATOM 1200 H ILE A 118 1.962 4.394 -16.020 1.00 0.00 H ATOM 1201 N VAL A 119 -1.048 1.970 -14.414 1.00 11.21 N ATOM 1202 CA VAL A 119 -2.058 2.123 -13.366 1.00 23.52 C ATOM 1203 C VAL A 119 -2.196 0.793 -12.600 1.00 33.32 C ATOM 1204 O VAL A 119 -2.905 -0.108 -13.049 1.00 33.50 O ATOM 1205 CB VAL A 119 -3.440 2.541 -13.954 1.00 53.45 C ATOM 1206 CG1 VAL A 119 -4.534 2.680 -12.877 1.00 0.13 C ATOM 1207 CG2 VAL A 119 -3.354 3.853 -14.754 1.00 64.21 C ATOM 1208 H VAL A 119 -1.123 1.147 -15.045 1.00 0.00 H ATOM 1209 N PHE A 120 -1.499 0.702 -11.458 1.00 73.41 N ATOM 1210 CA PHE A 120 -1.495 -0.445 -10.550 1.00 54.41 C ATOM 1211 C PHE A 120 -2.646 -0.392 -9.530 1.00 40.32 C ATOM 1212 O PHE A 120 -2.879 0.663 -8.943 1.00 74.24 O ATOM 1213 CB PHE A 120 -0.108 -0.505 -9.878 1.00 22.03 C ATOM 1214 CG PHE A 120 0.073 -1.490 -8.735 1.00 3.12 C ATOM 1215 CD1 PHE A 120 0.501 -1.045 -7.470 1.00 12.54 C ATOM 1216 CD2 PHE A 120 -0.172 -2.863 -8.929 1.00 30.51 C ATOM 1217 CE1 PHE A 120 0.683 -1.951 -6.434 1.00 5.10 C ATOM 1218 CE2 PHE A 120 -0.014 -3.749 -7.876 1.00 53.05 C ATOM 1219 CZ PHE A 120 0.433 -3.300 -6.640 1.00 32.43 C ATOM 1220 H PHE A 120 -0.910 1.518 -11.195 1.00 0.00 H ATOM 1221 N LYS A 121 -3.309 -1.540 -9.313 1.00 63.24 N ATOM 1222 CA LYS A 121 -4.334 -1.738 -8.286 1.00 15.23 C ATOM 1223 C LYS A 121 -3.922 -2.839 -7.300 1.00 22.41 C ATOM 1224 O LYS A 121 -3.265 -3.811 -7.679 1.00 3.23 O ATOM 1225 CB LYS A 121 -5.683 -2.117 -8.937 1.00 40.52 C ATOM 1226 CG LYS A 121 -6.617 -0.946 -9.277 1.00 44.20 C ATOM 1227 CD LYS A 121 -6.090 0.029 -10.341 1.00 45.53 C ATOM 1228 CE LYS A 121 -7.232 0.740 -11.080 1.00 63.10 C ATOM 1229 NZ LYS A 121 -7.863 -0.164 -12.060 1.00 1.41 N ATOM 1230 HZ1 LYS A 121 -7.152 -0.471 -12.755 1.00 0.00 H ATOM 1231 HZ2 LYS A 121 -8.248 -0.995 -11.566 1.00 0.00 H ATOM 1232 HZ3 LYS A 121 -8.632 0.338 -12.548 1.00 0.00 H ATOM 1233 H LYS A 121 -3.076 -2.351 -9.921 1.00 0.00 H ATOM 1234 N ARG A 122 -4.408 -2.679 -6.062 1.00 12.24 N ATOM 1235 CA ARG A 122 -4.305 -3.627 -4.962 1.00 2.13 C ATOM 1236 C ARG A 122 -5.619 -3.592 -4.181 1.00 40.42 C ATOM 1237 O ARG A 122 -6.128 -2.509 -3.892 1.00 33.42 O ATOM 1238 CB ARG A 122 -3.121 -3.231 -4.048 1.00 33.42 C ATOM 1239 CG ARG A 122 -1.904 -4.145 -4.199 1.00 14.23 C ATOM 1240 CD ARG A 122 -2.133 -5.570 -3.676 1.00 0.01 C ATOM 1241 NE ARG A 122 -0.862 -6.294 -3.603 1.00 11.12 N ATOM 1242 CZ ARG A 122 -0.121 -6.744 -4.627 1.00 1.31 C ATOM 1243 NH1 ARG A 122 -0.537 -6.625 -5.890 1.00 62.53 N ATOM 1244 NH2 ARG A 122 1.067 -7.308 -4.389 1.00 3.20 N ATOM 1245 HE ARG A 122 -0.492 -6.480 -2.649 1.00 0.00 H ATOM 1246 HH12 ARG A 122 0.054 -6.981 -6.668 1.00 0.00 H ATOM 1247 HH11 ARG A 122 -1.452 -6.176 -6.096 1.00 0.00 H ATOM 1248 HH22 ARG A 122 1.644 -7.658 -5.180 1.00 0.00 H ATOM 1249 HH21 ARG A 122 1.414 -7.397 -3.413 1.00 0.00 H ATOM 1250 H ARG A 122 -4.909 -1.789 -5.867 1.00 0.00 H ATOM 1251 N ILE A 123 -6.118 -4.784 -3.829 1.00 30.25 N ATOM 1252 CA ILE A 123 -7.292 -4.968 -2.985 1.00 2.11 C ATOM 1253 C ILE A 123 -6.906 -5.939 -1.858 1.00 74.22 C ATOM 1254 O ILE A 123 -6.304 -6.981 -2.129 1.00 24.24 O ATOM 1255 CB ILE A 123 -8.511 -5.553 -3.763 1.00 52.54 C ATOM 1256 CG1 ILE A 123 -8.933 -4.657 -4.956 1.00 72.35 C ATOM 1257 CG2 ILE A 123 -9.742 -5.778 -2.852 1.00 33.13 C ATOM 1258 CD1 ILE A 123 -8.135 -4.878 -6.254 1.00 54.44 C ATOM 1259 H ILE A 123 -5.636 -5.635 -4.181 1.00 0.00 H ATOM 1260 N SER A 124 -7.286 -5.579 -0.624 1.00 43.41 N ATOM 1261 CA SER A 124 -7.093 -6.384 0.581 1.00 0.13 C ATOM 1262 C SER A 124 -8.384 -6.379 1.419 1.00 51.14 C ATOM 1263 O SER A 124 -9.219 -5.491 1.243 1.00 35.05 O ATOM 1264 CB SER A 124 -5.890 -5.839 1.382 1.00 64.41 C ATOM 1265 OG SER A 124 -4.670 -6.091 0.714 1.00 75.33 O ATOM 1266 HG SER A 124 -3.920 -5.731 1.251 1.00 0.00 H ATOM 1267 H SER A 124 -7.754 -4.657 -0.515 1.00 0.00 H ATOM 1268 N LYS A 125 -8.532 -7.370 2.317 1.00 4.50 N ATOM 1269 CA LYS A 125 -9.704 -7.538 3.183 1.00 10.12 C ATOM 1270 C LYS A 125 -9.276 -7.919 4.608 1.00 32.13 C ATOM 1271 O LYS A 125 -8.307 -8.656 4.780 1.00 31.11 O ATOM 1272 CB LYS A 125 -10.685 -8.545 2.538 1.00 30.24 C ATOM 1273 CG LYS A 125 -11.987 -8.824 3.314 1.00 63.23 C ATOM 1274 CD LYS A 125 -11.937 -10.094 4.183 1.00 13.43 C ATOM 1275 CE LYS A 125 -13.182 -10.286 5.062 1.00 15.22 C ATOM 1276 NZ LYS A 125 -13.331 -9.209 6.055 1.00 40.21 N ATOM 1277 HZ1 LYS A 125 -12.496 -9.192 6.675 1.00 0.00 H ATOM 1278 HZ2 LYS A 125 -13.418 -8.296 5.564 1.00 0.00 H ATOM 1279 HZ3 LYS A 125 -14.184 -9.380 6.625 1.00 0.00 H ATOM 1280 H LYS A 125 -7.763 -8.065 2.403 1.00 0.00 H ATOM 1281 N ARG A 126 -10.016 -7.389 5.598 1.00 44.31 N ATOM 1282 CA ARG A 126 -9.710 -7.420 7.027 1.00 70.45 C ATOM 1283 C ARG A 126 -9.676 -8.835 7.622 1.00 31.14 C ATOM 1284 O ARG A 126 -10.544 -9.651 7.309 1.00 12.33 O ATOM 1285 CB ARG A 126 -10.671 -6.470 7.776 1.00 53.32 C ATOM 1286 CG ARG A 126 -10.356 -6.264 9.271 1.00 63.11 C ATOM 1287 CD ARG A 126 -10.720 -4.872 9.817 1.00 72.42 C ATOM 1288 NE ARG A 126 -12.137 -4.524 9.640 1.00 21.44 N ATOM 1289 CZ ARG A 126 -13.178 -5.030 10.326 1.00 10.40 C ATOM 1290 NH1 ARG A 126 -13.008 -5.962 11.275 1.00 25.34 N ATOM 1291 NH2 ARG A 126 -14.412 -4.584 10.061 1.00 22.32 N ATOM 1292 HE ARG A 126 -12.357 -3.815 8.911 1.00 0.00 H ATOM 1293 HH12 ARG A 126 -13.831 -6.336 11.790 1.00 0.00 H ATOM 1294 HH11 ARG A 126 -12.054 -6.311 11.496 1.00 0.00 H ATOM 1295 HH22 ARG A 126 -15.226 -4.966 10.583 1.00 0.00 H ATOM 1296 HH21 ARG A 126 -14.556 -3.856 9.333 1.00 0.00 H ATOM 1297 H ARG A 126 -10.895 -6.908 5.319 1.00 0.00 H ATOM 1298 N ILE A 127 -8.663 -9.081 8.470 1.00 61.01 N ATOM 1299 CA ILE A 127 -8.314 -10.395 9.027 1.00 45.04 C ATOM 1300 C ILE A 127 -9.100 -10.525 10.319 1.00 53.43 C ATOM 1301 O ILE A 127 -9.491 -11.615 10.736 1.00 13.32 O ATOM 1302 CB ILE A 127 -6.774 -10.545 9.247 1.00 72.13 C ATOM 1303 CG1 ILE A 127 -5.955 -10.163 7.992 1.00 31.52 C ATOM 1304 CG2 ILE A 127 -6.388 -11.972 9.703 1.00 61.43 C ATOM 1305 CD1 ILE A 127 -4.442 -10.061 8.220 1.00 25.12 C ATOM 1306 H ILE A 127 -8.076 -8.272 8.757 1.00 0.00 H TER 1307 ILE A 127 HETATM 1308 C26 MOL A 1 1.641 -6.684 0.388 1.00 0.07 C HETATM 1309 C27 MOL A 1 1.489 -6.229 -1.092 1.00 0.06 C HETATM 1310 O2 MOL A 1 0.554 -5.456 -1.402 1.00 -0.55 O HETATM 1311 O3 MOL A 1 2.277 -6.717 -1.931 1.00 -0.55 O HETATM 1312 C28 MOL A 1 0.796 -7.956 0.539 1.00 -0.04 C HETATM 1313 H27 MOL A 1 0.868 -8.323 1.573 1.00 0.02 H HETATM 1314 H28 MOL A 1 1.169 -8.728 -0.151 1.00 0.02 H HETATM 1315 H29 MOL A 1 -0.254 -7.729 0.302 1.00 0.02 H HETATM 1316 C29 MOL A 1 3.120 -7.005 0.718 1.00 -0.04 C HETATM 1317 H30 MOL A 1 3.726 -6.093 0.610 1.00 0.02 H HETATM 1318 H31 MOL A 1 3.491 -7.776 0.027 1.00 0.02 H HETATM 1319 H32 MOL A 1 3.193 -7.373 1.752 1.00 0.02 H HETATM 1320 S1 MOL A 1 0.921 -5.430 1.529 1.00 -0.10 S HETATM 1321 C23 MOL A 1 1.206 -3.777 0.976 1.00 0.01 C HETATM 1322 C22 MOL A 1 2.391 -3.437 0.333 1.00 -0.06 C HETATM 1323 C21 MOL A 1 2.576 -2.149 -0.146 1.00 -0.07 C HETATM 1324 C20 MOL A 1 1.569 -1.202 0.018 1.00 -0.05 C HETATM 1325 C19 MOL A 1 1.795 0.199 -0.509 1.00 -0.00 C HETATM 1326 C8 MOL A 1 0.585 0.798 -1.263 1.00 0.04 C HETATM 1327 N2 MOL A 1 0.346 2.216 -0.949 1.00 -0.26 N HETATM 1328 C7 MOL A 1 -0.052 2.586 0.302 1.00 0.26 C HETATM 1329 N1 MOL A 1 -0.357 3.890 0.470 1.00 -0.27 N HETATM 1330 C2 MOL A 1 -0.537 4.563 1.760 1.00 0.04 C HETATM 1331 C1 MOL A 1 0.801 4.879 2.477 1.00 -0.03 C HETATM 1332 C6 MOL A 1 0.690 5.051 4.008 1.00 -0.05 C HETATM 1333 C55 MOL A 1 -0.670 5.636 4.432 1.00 -0.05 C HETATM 1334 C4 MOL A 1 -1.876 4.801 3.944 1.00 -0.05 C HETATM 1335 C3 MOL A 1 -1.545 3.906 2.737 1.00 -0.03 C HETATM 1336 H33 MOL A 1 -1.113 2.964 3.106 1.00 0.03 H HETATM 1337 H34 MOL A 1 -2.476 3.694 2.191 1.00 0.03 H HETATM 1338 H35 MOL A 1 -2.216 4.161 4.771 1.00 0.03 H HETATM 1339 H36 MOL A 1 -2.685 5.489 3.658 1.00 0.03 H HETATM 1340 H37 MOL A 1 -0.701 5.685 5.530 1.00 0.03 H HETATM 1341 H38 MOL A 1 -0.758 6.651 4.017 1.00 0.03 H HETATM 1342 H39 MOL A 1 1.488 5.728 4.347 1.00 0.03 H HETATM 1343 H40 MOL A 1 0.817 4.068 4.485 1.00 0.03 H HETATM 1344 H1 MOL A 1 1.203 5.812 2.056 1.00 0.03 H HETATM 1345 H2 MOL A 1 1.501 4.054 2.275 1.00 0.03 H HETATM 1346 H22 MOL A 1 -0.977 5.539 1.506 1.00 0.06 H HETATM 1347 H45 MOL A 1 -0.470 4.444 -0.355 1.00 0.18 H HETATM 1348 O1 MOL A 1 -0.129 1.779 1.230 1.00 -0.40 O HETATM 1349 C9 MOL A 1 0.497 3.128 -2.095 1.00 0.03 C HETATM 1350 C10 MOL A 1 1.720 4.059 -2.017 1.00 -0.03 C HETATM 1351 C11 MOL A 1 3.099 3.370 -2.065 1.00 -0.05 C HETATM 1352 C12 MOL A 1 4.135 4.089 -1.187 1.00 -0.05 C HETATM 1353 C13 MOL A 1 4.052 3.677 0.301 1.00 -0.04 C HETATM 1354 C14 MOL A 1 4.519 4.794 1.263 1.00 -0.05 C HETATM 1355 C15 MOL A 1 4.375 4.413 2.762 1.00 -0.05 C HETATM 1356 C16 MOL A 1 4.306 2.891 3.020 1.00 -0.05 C HETATM 1357 C17 MOL A 1 5.222 2.142 2.041 1.00 -0.05 C HETATM 1358 C18 MOL A 1 4.808 2.345 0.570 1.00 -0.05 C HETATM 1359 H18 MOL A 1 5.717 2.333 -0.049 1.00 0.03 H HETATM 1360 H19 MOL A 1 4.153 1.511 0.277 1.00 0.03 H HETATM 1361 H16 MOL A 1 5.183 1.067 2.273 1.00 0.03 H HETATM 1362 H17 MOL A 1 6.251 2.508 2.171 1.00 0.03 H HETATM 1363 H14 MOL A 1 3.270 2.546 2.884 1.00 0.03 H HETATM 1364 H15 MOL A 1 4.629 2.683 4.051 1.00 0.03 H HETATM 1365 H12 MOL A 1 3.453 4.871 3.148 1.00 0.03 H HETATM 1366 H13 MOL A 1 5.241 4.817 3.306 1.00 0.03 H HETATM 1367 H10 MOL A 1 3.916 5.694 1.072 1.00 0.03 H HETATM 1368 H11 MOL A 1 5.578 5.011 1.058 1.00 0.03 H HETATM 1369 H9 MOL A 1 2.990 3.494 0.520 1.00 0.03 H HETATM 1370 H7 MOL A 1 3.966 5.173 -1.261 1.00 0.03 H HETATM 1371 H8 MOL A 1 5.141 3.848 -1.562 1.00 0.03 H HETATM 1372 H5 MOL A 1 3.457 3.366 -3.105 1.00 0.03 H HETATM 1373 H6 MOL A 1 2.991 2.334 -1.710 1.00 0.03 H HETATM 1374 H3 MOL A 1 1.664 4.759 -2.863 1.00 0.03 H HETATM 1375 H4 MOL A 1 1.657 4.619 -1.073 1.00 0.03 H HETATM 1376 H43 MOL A 1 0.586 2.520 -3.007 1.00 0.05 H HETATM 1377 H44 MOL A 1 -0.406 3.753 -2.157 1.00 0.05 H HETATM 1378 H41 MOL A 1 -0.314 0.224 -0.992 1.00 0.05 H HETATM 1379 H42 MOL A 1 0.767 0.706 -2.344 1.00 0.05 H HETATM 1380 H20 MOL A 1 2.652 0.174 -1.198 1.00 0.04 H HETATM 1381 H21 MOL A 1 2.029 0.854 0.343 1.00 0.04 H HETATM 1382 C25 MOL A 1 0.390 -1.535 0.696 1.00 -0.07 C HETATM 1383 C24 MOL A 1 0.207 -2.828 1.169 1.00 -0.06 C HETATM 1384 H25 MOL A 1 -0.708 -3.096 1.685 1.00 0.05 H HETATM 1385 H26 MOL A 1 -0.378 -0.786 0.851 1.00 0.05 H HETATM 1386 H23 MOL A 1 3.500 -1.881 -0.646 1.00 0.05 H HETATM 1387 H24 MOL A 1 3.171 -4.179 0.206 1.00 0.05 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1308 1309 1312 1316 1320 CONECT 1309 1308 1310 1311 CONECT 1310 1309 CONECT 1311 1309 CONECT 1312 1308 1313 1314 1315 CONECT 1313 1312 CONECT 1314 1312 CONECT 1315 1312 CONECT 1316 1308 1317 1318 1319 CONECT 1317 1316 CONECT 1318 1316 CONECT 1319 1316 CONECT 1320 1308 1321 CONECT 1321 1320 1322 1383 CONECT 1322 1321 1323 1387 CONECT 1323 1322 1324 1386 CONECT 1324 1323 1325 1382 CONECT 1325 1324 1326 1380 1381 CONECT 1326 1325 1327 1378 1379 CONECT 1327 1326 1328 1349 CONECT 1328 1327 1329 1348 CONECT 1329 1328 1330 1347 CONECT 1330 1329 1331 1335 1346 CONECT 1331 1330 1332 1344 1345 CONECT 1332 1331 1333 1342 1343 CONECT 1333 1332 1334 1340 1341 CONECT 1334 1333 1335 1338 1339 CONECT 1335 1330 1334 1336 1337 CONECT 1336 1335 CONECT 1337 1335 CONECT 1338 1334 CONECT 1339 1334 CONECT 1340 1333 CONECT 1341 1333 CONECT 1342 1332 CONECT 1343 1332 CONECT 1344 1331 CONECT 1345 1331 CONECT 1346 1330 CONECT 1347 1329 CONECT 1348 1328 CONECT 1349 1327 1350 1376 1377 CONECT 1350 1349 1351 1374 1375 CONECT 1351 1350 1352 1372 1373 CONECT 1352 1351 1353 1370 1371 CONECT 1353 1352 1354 1358 1369 CONECT 1354 1353 1355 1367 1368 CONECT 1355 1354 1356 1365 1366 CONECT 1356 1355 1357 1363 1364 CONECT 1357 1356 1358 1361 1362 CONECT 1358 1353 1357 1359 1360 CONECT 1359 1358 CONECT 1360 1358 CONECT 1361 1357 CONECT 1362 1357 CONECT 1363 1356 CONECT 1364 1356 CONECT 1365 1355 CONECT 1366 1355 CONECT 1367 1354 CONECT 1368 1354 CONECT 1369 1353 CONECT 1370 1352 CONECT 1371 1352 CONECT 1372 1351 CONECT 1373 1351 CONECT 1374 1350 CONECT 1375 1350 CONECT 1376 1349 CONECT 1377 1349 CONECT 1378 1326 CONECT 1379 1326 CONECT 1380 1325 CONECT 1381 1325 CONECT 1382 1324 1383 1385 CONECT 1383 1321 1382 1384 CONECT 1384 1383 CONECT 1385 1382 CONECT 1386 1323 CONECT 1387 1322 MASTER 0 0 0 0 0 0 0 0 1386 1 84 11 END
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Structure:
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Related entries of code: 6drg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2lkk
RCSB PDB
PDBbind
126aa, >2LKK_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6drg
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Fatty acid-binding protein, liver
Ligand Name
2VN
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=120nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J. Biol. Chem. Vol. 294: pp. 3720-3734
Ligand Properties
Formula
C
2
9
H
4
6
N
2
O
3
S
Molecular Weight
502.752
Exact Mass
502.323
No. of atoms
81
No. of bonds
83
Polar Surface Area
94.94
LOGP Value
8.89 (
Computed with XLOGP3
)
7.67 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
O=C(N(CCc1ccc(cc1)SC(C(=O)O)(C)C)CCCCC1CCCCC1)NC1CCCCC1
InChI String
InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P07148
Entrez Gene ID
NCBI Entrez Gene ID:
2168
ASD
Information of known allosteric effects of PDB entries
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