Browse entries in the PDBbind-CN Database
HEADER 2NDF_COMPLEX COMPND 2NDF_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 141 GLY SER HIS MET ALA SER SER CYS ALA VAL GLN VAL LYS SEQRES 2 A 141 LEU GLU LEU GLY HIS ARG ALA GLN VAL ARG LYS LYS PRO SEQRES 3 A 141 THR VAL GLU GLY PHE THR HIS ASP TRP MET VAL PHE VAL SEQRES 4 A 141 ARG GLY PRO GLU HIS SER ASN ILE GLN HIS PHE VAL GLU SEQRES 5 A 141 LYS VAL VAL PHE HIS LEU HIS GLU SER PHE PRO ARG PRO SEQRES 6 A 141 LYS ARG VAL CYS LYS ASP PRO PRO TYR LYS VAL GLU GLU SEQRES 7 A 141 SER GLY TYR ALA GLY PHE ILE LEU PRO ILE GLU VAL TYR SEQRES 8 A 141 PHE LYS ASN LYS GLU GLU PRO ARG LYS VAL ARG PHE ASP SEQRES 9 A 141 TYR ASP LEU PHE LEU HIS LEU GLU GLY HIS PRO PRO VAL SEQRES 10 A 141 ASN HIS LEU ARG CYS GLU LYS LEU THR PHE ASN ASN PRO SEQRES 11 A 141 THR GLU ASP PHE ARG ARG LYS LEU LEU LYS ALA HET GLY A 142 205 ATOM 1 N GLY A 1 23.448 19.198 0.806 1.00 0.00 N ATOM 2 CA GLY A 1 24.448 18.887 -0.244 1.00 0.00 C ATOM 3 C GLY A 1 24.087 17.650 -1.040 1.00 0.00 C ATOM 4 O GLY A 1 24.730 16.611 -0.900 1.00 0.00 O ATOM 5 HN3 GLY A 1 23.382 18.398 1.468 1.00 0.00 H ATOM 6 HN2 GLY A 1 22.521 19.361 0.363 1.00 0.00 H ATOM 7 HN1 GLY A 1 23.742 20.052 1.321 1.00 0.00 H ATOM 8 N SER A 2 23.067 17.765 -1.883 1.00 0.00 N ATOM 9 CA SER A 2 22.609 16.649 -2.700 1.00 0.00 C ATOM 10 C SER A 2 23.697 16.200 -3.674 1.00 0.00 C ATOM 11 O SER A 2 24.044 16.925 -4.610 1.00 0.00 O ATOM 12 CB SER A 2 21.348 17.052 -3.463 1.00 0.00 C ATOM 13 OG SER A 2 20.370 17.582 -2.581 1.00 0.00 O ATOM 14 HG SER A 2 19.564 17.835 -3.097 1.00 0.00 H ATOM 15 H SER A 2 22.580 18.680 -1.962 1.00 0.00 H ATOM 16 N HIS A 3 24.244 15.014 -3.415 1.00 0.00 N ATOM 17 CA HIS A 3 25.303 14.420 -4.233 1.00 0.00 C ATOM 18 C HIS A 3 26.558 15.296 -4.216 1.00 0.00 C ATOM 19 O HIS A 3 27.398 15.229 -5.114 1.00 0.00 O ATOM 20 CB HIS A 3 24.817 14.189 -5.670 1.00 0.00 C ATOM 21 CG HIS A 3 25.558 13.103 -6.393 1.00 0.00 C ATOM 22 ND1 HIS A 3 25.150 11.787 -6.391 1.00 0.00 N ATOM 23 CD2 HIS A 3 26.683 13.142 -7.144 1.00 0.00 C ATOM 24 CE1 HIS A 3 25.991 11.065 -7.106 1.00 0.00 C ATOM 25 NE2 HIS A 3 26.931 11.863 -7.575 1.00 0.00 N ATOM 26 H HIS A 3 23.901 14.482 -2.589 1.00 0.00 H ATOM 27 N MET A 4 26.683 16.114 -3.182 1.00 0.00 N ATOM 28 CA MET A 4 27.845 16.979 -3.036 1.00 0.00 C ATOM 29 C MET A 4 28.894 16.299 -2.173 1.00 0.00 C ATOM 30 O MET A 4 30.083 16.600 -2.264 1.00 0.00 O ATOM 31 CB MET A 4 27.451 18.324 -2.425 1.00 0.00 C ATOM 32 CG MET A 4 26.557 19.166 -3.320 1.00 0.00 C ATOM 33 SD MET A 4 26.100 20.736 -2.558 1.00 0.00 S ATOM 34 CE MET A 4 25.033 21.422 -3.821 1.00 0.00 C ATOM 35 H MET A 4 25.936 16.139 -2.459 1.00 0.00 H ATOM 36 N ALA A 5 28.441 15.372 -1.345 1.00 0.00 N ATOM 37 CA ALA A 5 29.331 14.601 -0.495 1.00 0.00 C ATOM 38 C ALA A 5 29.591 13.242 -1.127 1.00 0.00 C ATOM 39 O ALA A 5 28.790 12.768 -1.936 1.00 0.00 O ATOM 40 CB ALA A 5 28.718 14.440 0.888 1.00 0.00 C ATOM 41 H ALA A 5 27.418 15.190 -1.302 1.00 0.00 H ATOM 42 N SER A 6 30.709 12.623 -0.776 1.00 0.00 N ATOM 43 CA SER A 6 31.043 11.313 -1.310 1.00 0.00 C ATOM 44 C SER A 6 30.246 10.240 -0.578 1.00 0.00 C ATOM 45 O SER A 6 30.763 9.540 0.294 1.00 0.00 O ATOM 46 CB SER A 6 32.546 11.043 -1.187 1.00 0.00 C ATOM 47 OG SER A 6 32.915 9.848 -1.860 1.00 0.00 O ATOM 48 HG SER A 6 32.425 9.084 -1.466 1.00 0.00 H ATOM 49 H SER A 6 31.359 13.083 -0.107 1.00 0.00 H ATOM 50 N SER A 7 28.977 10.135 -0.935 1.00 0.00 N ATOM 51 CA SER A 7 28.087 9.156 -0.348 1.00 0.00 C ATOM 52 C SER A 7 27.433 8.326 -1.445 1.00 0.00 C ATOM 53 O SER A 7 26.977 8.866 -2.453 1.00 0.00 O ATOM 54 CB SER A 7 27.015 9.863 0.485 1.00 0.00 C ATOM 55 OG SER A 7 27.600 10.751 1.427 1.00 0.00 O ATOM 56 HG SER A 7 26.885 11.193 1.950 1.00 0.00 H ATOM 57 H SER A 7 28.606 10.778 -1.663 1.00 0.00 H ATOM 58 N CYS A 8 27.418 7.019 -1.264 1.00 0.00 N ATOM 59 CA CYS A 8 26.775 6.129 -2.214 1.00 0.00 C ATOM 60 C CYS A 8 25.366 5.809 -1.743 1.00 0.00 C ATOM 61 O CYS A 8 25.180 5.185 -0.702 1.00 0.00 O ATOM 62 CB CYS A 8 27.590 4.846 -2.365 1.00 0.00 C ATOM 63 SG CYS A 8 29.294 5.125 -2.894 1.00 0.00 S ATOM 64 H CYS A 8 27.877 6.617 -0.422 1.00 0.00 H ATOM 65 N ALA A 9 24.374 6.269 -2.486 1.00 0.00 N ATOM 66 CA ALA A 9 22.988 6.047 -2.113 1.00 0.00 C ATOM 67 C ALA A 9 22.286 5.128 -3.105 1.00 0.00 C ATOM 68 O ALA A 9 22.495 5.232 -4.313 1.00 0.00 O ATOM 69 CB ALA A 9 22.255 7.370 -1.999 1.00 0.00 C ATOM 70 H ALA A 9 24.590 6.800 -3.354 1.00 0.00 H ATOM 71 N VAL A 10 21.469 4.223 -2.590 1.00 0.00 N ATOM 72 CA VAL A 10 20.663 3.358 -3.439 1.00 0.00 C ATOM 73 C VAL A 10 19.220 3.834 -3.400 1.00 0.00 C ATOM 74 O VAL A 10 18.732 4.270 -2.353 1.00 0.00 O ATOM 75 CB VAL A 10 20.725 1.879 -2.994 1.00 0.00 C ATOM 76 CG1 VAL A 10 20.161 0.959 -4.070 1.00 0.00 C ATOM 77 CG2 VAL A 10 22.144 1.475 -2.645 1.00 0.00 C ATOM 78 H VAL A 10 21.401 4.128 -1.557 1.00 0.00 H ATOM 79 N GLN A 11 18.545 3.770 -4.533 1.00 0.00 N ATOM 80 CA GLN A 11 17.180 4.257 -4.622 1.00 0.00 C ATOM 81 C GLN A 11 16.255 3.158 -5.124 1.00 0.00 C ATOM 82 O GLN A 11 16.489 2.568 -6.181 1.00 0.00 O ATOM 83 CB GLN A 11 17.096 5.475 -5.545 1.00 0.00 C ATOM 84 CG GLN A 11 18.191 6.503 -5.326 1.00 0.00 C ATOM 85 CD GLN A 11 18.903 6.902 -6.604 1.00 0.00 C ATOM 86 OE1 GLN A 11 19.362 8.035 -6.737 1.00 0.00 O ATOM 87 NE2 GLN A 11 19.017 5.978 -7.545 1.00 0.00 N ATOM 88 HE22 GLN A 11 18.615 5.031 -7.395 1.00 0.00 H ATOM 89 HE21 GLN A 11 19.508 6.199 -8.434 1.00 0.00 H ATOM 90 H GLN A 11 18.999 3.364 -5.376 1.00 0.00 H ATOM 91 N VAL A 12 15.223 2.874 -4.347 1.00 0.00 N ATOM 92 CA VAL A 12 14.232 1.881 -4.709 1.00 0.00 C ATOM 93 C VAL A 12 12.885 2.547 -4.950 1.00 0.00 C ATOM 94 O VAL A 12 12.757 3.762 -4.803 1.00 0.00 O ATOM 95 CB VAL A 12 14.098 0.798 -3.626 1.00 0.00 C ATOM 96 CG1 VAL A 12 14.645 -0.505 -4.133 1.00 0.00 C ATOM 97 CG2 VAL A 12 14.822 1.185 -2.344 1.00 0.00 C ATOM 98 H VAL A 12 15.119 3.381 -3.445 1.00 0.00 H ATOM 99 N LYS A 13 11.884 1.764 -5.314 1.00 0.00 N ATOM 100 CA LYS A 13 10.577 2.311 -5.638 1.00 0.00 C ATOM 101 C LYS A 13 9.485 1.343 -5.198 1.00 0.00 C ATOM 102 O LYS A 13 9.605 0.138 -5.397 1.00 0.00 O ATOM 103 CB LYS A 13 10.478 2.547 -7.151 1.00 0.00 C ATOM 104 CG LYS A 13 9.699 3.789 -7.559 1.00 0.00 C ATOM 105 CD LYS A 13 9.572 3.873 -9.068 1.00 0.00 C ATOM 106 CE LYS A 13 9.029 5.218 -9.513 1.00 0.00 C ATOM 107 NZ LYS A 13 10.069 6.277 -9.493 1.00 0.00 N ATOM 108 HZ1 LYS A 13 10.438 6.381 -8.526 1.00 0.00 H ATOM 109 HZ2 LYS A 13 10.844 6.012 -10.134 1.00 0.00 H ATOM 110 HZ3 LYS A 13 9.651 7.177 -9.804 1.00 0.00 H ATOM 111 H LYS A 13 12.035 0.736 -5.370 1.00 0.00 H ATOM 112 N LEU A 14 8.439 1.864 -4.579 1.00 0.00 N ATOM 113 CA LEU A 14 7.289 1.050 -4.222 1.00 0.00 C ATOM 114 C LEU A 14 6.044 1.601 -4.883 1.00 0.00 C ATOM 115 O LEU A 14 5.950 2.798 -5.156 1.00 0.00 O ATOM 116 CB LEU A 14 7.089 0.998 -2.710 1.00 0.00 C ATOM 117 CG LEU A 14 8.222 0.345 -1.923 1.00 0.00 C ATOM 118 CD1 LEU A 14 7.906 0.349 -0.440 1.00 0.00 C ATOM 119 CD2 LEU A 14 8.460 -1.072 -2.414 1.00 0.00 C ATOM 120 H LEU A 14 8.439 2.877 -4.343 1.00 0.00 H ATOM 121 N GLU A 15 5.095 0.730 -5.140 1.00 0.00 N ATOM 122 CA GLU A 15 3.889 1.118 -5.847 1.00 0.00 C ATOM 123 C GLU A 15 2.652 0.932 -4.979 1.00 0.00 C ATOM 124 O GLU A 15 2.404 -0.155 -4.468 1.00 0.00 O ATOM 125 CB GLU A 15 3.767 0.308 -7.139 1.00 0.00 C ATOM 126 CG GLU A 15 2.502 0.588 -7.934 1.00 0.00 C ATOM 127 CD GLU A 15 2.493 -0.134 -9.261 1.00 0.00 C ATOM 128 OE1 GLU A 15 2.198 -1.346 -9.283 1.00 0.00 O ATOM 129 OE2 GLU A 15 2.797 0.506 -10.293 1.00 0.00 O ATOM 130 H GLU A 15 5.210 -0.256 -4.831 1.00 0.00 H ATOM 131 N LEU A 16 1.890 2.007 -4.813 1.00 0.00 N ATOM 132 CA LEU A 16 0.615 1.944 -4.109 1.00 0.00 C ATOM 133 C LEU A 16 -0.504 2.067 -5.126 1.00 0.00 C ATOM 134 O LEU A 16 -0.612 3.080 -5.816 1.00 0.00 O ATOM 135 CB LEU A 16 0.444 3.071 -3.070 1.00 0.00 C ATOM 136 CG LEU A 16 1.471 3.156 -1.937 1.00 0.00 C ATOM 137 CD1 LEU A 16 1.731 1.788 -1.345 1.00 0.00 C ATOM 138 CD2 LEU A 16 2.759 3.808 -2.399 1.00 0.00 C ATOM 139 H LEU A 16 2.212 2.919 -5.196 1.00 0.00 H ATOM 140 N GLY A 17 -1.328 1.051 -5.236 1.00 0.00 N ATOM 141 CA GLY A 17 -2.415 1.113 -6.177 1.00 0.00 C ATOM 142 C GLY A 17 -3.625 0.371 -5.685 1.00 0.00 C ATOM 143 O GLY A 17 -3.554 -0.346 -4.686 1.00 0.00 O ATOM 144 H GLY A 17 -1.196 0.205 -4.646 1.00 0.00 H ATOM 145 N HIS A 18 -4.739 0.540 -6.377 1.00 0.00 N ATOM 146 CA HIS A 18 -5.952 -0.155 -6.006 1.00 0.00 C ATOM 147 C HIS A 18 -6.956 -0.112 -7.143 1.00 0.00 C ATOM 148 O HIS A 18 -7.020 0.864 -7.897 1.00 0.00 O ATOM 149 CB HIS A 18 -6.559 0.444 -4.714 1.00 0.00 C ATOM 150 CG HIS A 18 -7.576 1.535 -4.920 1.00 0.00 C ATOM 151 ND1 HIS A 18 -7.261 2.820 -5.324 1.00 0.00 N ATOM 152 CD2 HIS A 18 -8.922 1.510 -4.776 1.00 0.00 C ATOM 153 CE1 HIS A 18 -8.375 3.533 -5.420 1.00 0.00 C ATOM 154 NE2 HIS A 18 -9.391 2.761 -5.093 1.00 0.00 N ATOM 155 H HIS A 18 -4.743 1.180 -7.197 1.00 0.00 H ATOM 156 N ARG A 19 -7.723 -1.177 -7.262 1.00 0.00 N ATOM 157 CA ARG A 19 -8.815 -1.233 -8.211 1.00 0.00 C ATOM 158 C ARG A 19 -10.106 -1.396 -7.442 1.00 0.00 C ATOM 159 O ARG A 19 -10.172 -2.184 -6.498 1.00 0.00 O ATOM 160 CB ARG A 19 -8.644 -2.388 -9.193 1.00 0.00 C ATOM 161 CG ARG A 19 -7.320 -2.382 -9.919 1.00 0.00 C ATOM 162 CD ARG A 19 -6.494 -3.573 -9.505 1.00 0.00 C ATOM 163 NE ARG A 19 -7.112 -4.831 -9.922 1.00 0.00 N ATOM 164 CZ ARG A 19 -6.439 -5.878 -10.391 1.00 0.00 C ATOM 165 NH1 ARG A 19 -5.125 -5.808 -10.566 1.00 0.00 N ATOM 166 NH2 ARG A 19 -7.088 -6.994 -10.699 1.00 0.00 N ATOM 167 HE ARG A 19 -8.146 -4.912 -9.847 1.00 0.00 H ATOM 168 HH12 ARG A 19 -4.605 -6.630 -10.933 1.00 0.00 H ATOM 169 HH11 ARG A 19 -4.616 -4.931 -10.336 1.00 0.00 H ATOM 170 HH22 ARG A 19 -6.566 -7.815 -11.066 1.00 0.00 H ATOM 171 HH21 ARG A 19 -8.119 -7.048 -10.573 1.00 0.00 H ATOM 172 H ARG A 19 -7.538 -2.002 -6.656 1.00 0.00 H ATOM 173 N ALA A 20 -11.116 -0.637 -7.812 1.00 0.00 N ATOM 174 CA ALA A 20 -12.368 -0.674 -7.086 1.00 0.00 C ATOM 175 C ALA A 20 -13.541 -1.027 -7.992 1.00 0.00 C ATOM 176 O ALA A 20 -13.868 -0.279 -8.919 1.00 0.00 O ATOM 177 CB ALA A 20 -12.606 0.657 -6.398 1.00 0.00 C ATOM 178 H ALA A 20 -11.014 -0.006 -8.632 1.00 0.00 H ATOM 179 N GLN A 21 -14.177 -2.157 -7.705 1.00 0.00 N ATOM 180 CA GLN A 21 -15.325 -2.619 -8.467 1.00 0.00 C ATOM 181 C GLN A 21 -16.578 -2.514 -7.607 1.00 0.00 C ATOM 182 O GLN A 21 -16.503 -2.587 -6.381 1.00 0.00 O ATOM 183 CB GLN A 21 -15.126 -4.079 -8.892 1.00 0.00 C ATOM 184 CG GLN A 21 -16.194 -4.592 -9.848 1.00 0.00 C ATOM 185 CD GLN A 21 -16.359 -6.098 -9.795 1.00 0.00 C ATOM 186 OE1 GLN A 21 -15.674 -6.837 -10.501 1.00 0.00 O ATOM 187 NE2 GLN A 21 -17.295 -6.559 -8.973 1.00 0.00 N ATOM 188 HE22 GLN A 21 -17.851 -5.897 -8.394 1.00 0.00 H ATOM 189 HE21 GLN A 21 -17.472 -7.582 -8.908 1.00 0.00 H ATOM 190 H GLN A 21 -13.841 -2.732 -6.906 1.00 0.00 H ATOM 191 N VAL A 22 -17.718 -2.304 -8.236 1.00 0.00 N ATOM 192 CA VAL A 22 -18.982 -2.374 -7.528 1.00 0.00 C ATOM 193 C VAL A 22 -19.663 -3.695 -7.873 1.00 0.00 C ATOM 194 O VAL A 22 -19.311 -4.336 -8.864 1.00 0.00 O ATOM 195 CB VAL A 22 -19.912 -1.188 -7.872 1.00 0.00 C ATOM 196 CG1 VAL A 22 -20.688 -1.441 -9.145 1.00 0.00 C ATOM 197 CG2 VAL A 22 -20.873 -0.903 -6.739 1.00 0.00 C ATOM 198 H VAL A 22 -17.711 -2.085 -9.253 1.00 0.00 H ATOM 199 N ARG A 23 -20.615 -4.105 -7.064 1.00 0.00 N ATOM 200 CA ARG A 23 -21.363 -5.318 -7.332 1.00 0.00 C ATOM 201 C ARG A 23 -22.782 -4.929 -7.707 1.00 0.00 C ATOM 202 O ARG A 23 -23.307 -3.932 -7.209 1.00 0.00 O ATOM 203 CB ARG A 23 -21.393 -6.228 -6.093 1.00 0.00 C ATOM 204 CG ARG A 23 -20.241 -6.012 -5.123 1.00 0.00 C ATOM 205 CD ARG A 23 -20.504 -6.666 -3.771 1.00 0.00 C ATOM 206 NE ARG A 23 -20.721 -8.113 -3.866 1.00 0.00 N ATOM 207 CZ ARG A 23 -20.005 -9.019 -3.192 1.00 0.00 C ATOM 208 NH1 ARG A 23 -18.929 -8.650 -2.507 1.00 0.00 N ATOM 209 NH2 ARG A 23 -20.336 -10.303 -3.242 1.00 0.00 N ATOM 210 HE ARG A 23 -21.476 -8.455 -4.494 1.00 0.00 H ATOM 211 HH12 ARG A 23 -18.376 -9.360 -1.985 1.00 0.00 H ATOM 212 HH11 ARG A 23 -18.639 -7.651 -2.493 1.00 0.00 H ATOM 213 HH22 ARG A 23 -19.777 -11.005 -2.716 1.00 0.00 H ATOM 214 HH21 ARG A 23 -21.155 -10.607 -3.807 1.00 0.00 H ATOM 215 H ARG A 23 -20.836 -3.548 -6.214 1.00 0.00 H ATOM 216 N LYS A 24 -23.396 -5.704 -8.589 1.00 0.00 N ATOM 217 CA LYS A 24 -24.773 -5.455 -8.985 1.00 0.00 C ATOM 218 C LYS A 24 -25.702 -5.922 -7.873 1.00 0.00 C ATOM 219 O LYS A 24 -26.889 -5.590 -7.840 1.00 0.00 O ATOM 220 CB LYS A 24 -25.094 -6.174 -10.296 1.00 0.00 C ATOM 221 CG LYS A 24 -26.377 -5.696 -10.945 1.00 0.00 C ATOM 222 CD LYS A 24 -26.272 -4.242 -11.377 1.00 0.00 C ATOM 223 CE LYS A 24 -27.535 -3.772 -12.072 1.00 0.00 C ATOM 224 NZ LYS A 24 -27.446 -2.346 -12.479 1.00 0.00 N ATOM 225 HZ1 LYS A 24 -27.298 -1.755 -11.636 1.00 0.00 H ATOM 226 HZ2 LYS A 24 -26.648 -2.223 -13.134 1.00 0.00 H ATOM 227 HZ3 LYS A 24 -28.330 -2.065 -12.950 1.00 0.00 H ATOM 228 H LYS A 24 -22.883 -6.507 -9.007 1.00 0.00 H ATOM 229 N LYS A 25 -25.133 -6.695 -6.962 1.00 0.00 N ATOM 230 CA LYS A 25 -25.831 -7.149 -5.779 1.00 0.00 C ATOM 231 C LYS A 25 -24.868 -7.128 -4.593 1.00 0.00 C ATOM 232 O LYS A 25 -23.974 -7.974 -4.498 1.00 0.00 O ATOM 233 CB LYS A 25 -26.386 -8.560 -5.990 1.00 0.00 C ATOM 234 CG LYS A 25 -27.349 -8.996 -4.902 1.00 0.00 C ATOM 235 CD LYS A 25 -27.962 -10.346 -5.217 1.00 0.00 C ATOM 236 CE LYS A 25 -29.037 -10.723 -4.208 1.00 0.00 C ATOM 237 NZ LYS A 25 -28.513 -10.750 -2.818 1.00 0.00 N ATOM 238 HZ1 LYS A 25 -27.746 -11.449 -2.752 1.00 0.00 H ATOM 239 HZ2 LYS A 25 -28.149 -9.809 -2.568 1.00 0.00 H ATOM 240 HZ3 LYS A 25 -29.279 -11.011 -2.165 1.00 0.00 H ATOM 241 H LYS A 25 -24.145 -6.988 -7.102 1.00 0.00 H ATOM 242 N PRO A 26 -25.004 -6.124 -3.709 1.00 0.00 N ATOM 243 CA PRO A 26 -24.184 -6.000 -2.490 1.00 0.00 C ATOM 244 C PRO A 26 -24.090 -7.306 -1.695 1.00 0.00 C ATOM 245 O PRO A 26 -24.961 -8.173 -1.793 1.00 0.00 O ATOM 246 CB PRO A 26 -24.925 -4.927 -1.697 1.00 0.00 C ATOM 247 CG PRO A 26 -25.519 -4.059 -2.752 1.00 0.00 C ATOM 248 CD PRO A 26 -25.950 -4.997 -3.844 1.00 0.00 C ATOM 249 N THR A 27 -23.029 -7.434 -0.905 1.00 0.00 N ATOM 250 CA THR A 27 -22.740 -8.681 -0.200 1.00 0.00 C ATOM 251 C THR A 27 -23.633 -8.845 1.033 1.00 0.00 C ATOM 252 O THR A 27 -24.569 -8.074 1.233 1.00 0.00 O ATOM 253 CB THR A 27 -21.243 -8.773 0.204 1.00 0.00 C ATOM 254 OG1 THR A 27 -20.953 -10.031 0.828 1.00 0.00 O ATOM 255 CG2 THR A 27 -20.850 -7.647 1.144 1.00 0.00 C ATOM 256 HG1 THR A 27 -19.995 -10.063 1.075 1.00 0.00 H ATOM 257 H THR A 27 -22.387 -6.625 -0.785 1.00 0.00 H ATOM 258 N VAL A 28 -23.330 -9.836 1.858 1.00 0.00 N ATOM 259 CA VAL A 28 -24.150 -10.168 3.016 1.00 0.00 C ATOM 260 C VAL A 28 -24.215 -9.000 4.005 1.00 0.00 C ATOM 261 O VAL A 28 -25.225 -8.797 4.677 1.00 0.00 O ATOM 262 CB VAL A 28 -23.615 -11.439 3.714 1.00 0.00 C ATOM 263 CG1 VAL A 28 -23.323 -12.508 2.672 1.00 0.00 C ATOM 264 CG2 VAL A 28 -22.367 -11.151 4.538 1.00 0.00 C ATOM 265 H VAL A 28 -22.475 -10.398 1.672 1.00 0.00 H ATOM 266 N GLU A 29 -23.143 -8.218 4.064 1.00 0.00 N ATOM 267 CA GLU A 29 -23.100 -7.045 4.925 1.00 0.00 C ATOM 268 C GLU A 29 -23.688 -5.833 4.215 1.00 0.00 C ATOM 269 O GLU A 29 -23.681 -4.725 4.746 1.00 0.00 O ATOM 270 CB GLU A 29 -21.665 -6.753 5.356 1.00 0.00 C ATOM 271 CG GLU A 29 -21.076 -7.814 6.267 1.00 0.00 C ATOM 272 CD GLU A 29 -21.870 -7.981 7.546 1.00 0.00 C ATOM 273 OE1 GLU A 29 -21.916 -7.030 8.351 1.00 0.00 O ATOM 274 OE2 GLU A 29 -22.459 -9.062 7.749 1.00 0.00 O ATOM 275 H GLU A 29 -22.314 -8.449 3.481 1.00 0.00 H ATOM 276 N GLY A 30 -24.187 -6.055 3.007 1.00 0.00 N ATOM 277 CA GLY A 30 -24.801 -4.990 2.240 1.00 0.00 C ATOM 278 C GLY A 30 -23.791 -3.987 1.738 1.00 0.00 C ATOM 279 O GLY A 30 -24.102 -2.811 1.551 1.00 0.00 O ATOM 280 H GLY A 30 -24.137 -7.012 2.602 1.00 0.00 H ATOM 281 N PHE A 31 -22.580 -4.459 1.511 1.00 0.00 N ATOM 282 CA PHE A 31 -21.524 -3.616 0.985 1.00 0.00 C ATOM 283 C PHE A 31 -21.557 -3.669 -0.532 1.00 0.00 C ATOM 284 O PHE A 31 -21.673 -4.745 -1.121 1.00 0.00 O ATOM 285 CB PHE A 31 -20.154 -4.055 1.507 1.00 0.00 C ATOM 286 CG PHE A 31 -19.996 -3.967 3.003 1.00 0.00 C ATOM 287 CD1 PHE A 31 -20.802 -3.133 3.767 1.00 0.00 C ATOM 288 CD2 PHE A 31 -19.018 -4.710 3.642 1.00 0.00 C ATOM 289 CE1 PHE A 31 -20.634 -3.046 5.135 1.00 0.00 C ATOM 290 CE2 PHE A 31 -18.848 -4.629 5.011 1.00 0.00 C ATOM 291 CZ PHE A 31 -19.655 -3.795 5.758 1.00 0.00 C ATOM 292 H PHE A 31 -22.378 -5.459 1.714 1.00 0.00 H ATOM 293 N THR A 32 -21.466 -2.510 -1.154 1.00 0.00 N ATOM 294 CA THR A 32 -21.676 -2.393 -2.584 1.00 0.00 C ATOM 295 C THR A 32 -20.384 -2.571 -3.376 1.00 0.00 C ATOM 296 O THR A 32 -20.414 -2.942 -4.545 1.00 0.00 O ATOM 297 CB THR A 32 -22.282 -1.018 -2.917 1.00 0.00 C ATOM 298 OG1 THR A 32 -21.476 0.021 -2.339 1.00 0.00 O ATOM 299 CG2 THR A 32 -23.699 -0.899 -2.388 1.00 0.00 C ATOM 300 HG1 THR A 32 -20.559 -0.031 -2.707 1.00 0.00 H ATOM 301 H THR A 32 -21.238 -1.657 -0.604 1.00 0.00 H ATOM 302 N HIS A 33 -19.254 -2.310 -2.742 1.00 0.00 N ATOM 303 CA HIS A 33 -17.984 -2.254 -3.454 1.00 0.00 C ATOM 304 C HIS A 33 -16.996 -3.293 -2.961 1.00 0.00 C ATOM 305 O HIS A 33 -17.010 -3.666 -1.796 1.00 0.00 O ATOM 306 CB HIS A 33 -17.366 -0.867 -3.303 1.00 0.00 C ATOM 307 CG HIS A 33 -18.071 0.185 -4.089 1.00 0.00 C ATOM 308 ND1 HIS A 33 -19.306 0.685 -3.747 1.00 0.00 N ATOM 309 CD2 HIS A 33 -17.711 0.823 -5.220 1.00 0.00 C ATOM 310 CE1 HIS A 33 -19.674 1.582 -4.635 1.00 0.00 C ATOM 311 NE2 HIS A 33 -18.724 1.689 -5.540 1.00 0.00 N ATOM 312 H HIS A 33 -19.272 -2.141 -1.716 1.00 0.00 H ATOM 313 N ASP A 34 -16.135 -3.736 -3.864 1.00 0.00 N ATOM 314 CA ASP A 34 -15.022 -4.606 -3.532 1.00 0.00 C ATOM 315 C ASP A 34 -13.764 -4.013 -4.128 1.00 0.00 C ATOM 316 O ASP A 34 -13.671 -3.824 -5.344 1.00 0.00 O ATOM 317 CB ASP A 34 -15.223 -6.023 -4.075 1.00 0.00 C ATOM 318 CG ASP A 34 -16.362 -6.759 -3.406 1.00 0.00 C ATOM 319 OD1 ASP A 34 -17.502 -6.654 -3.890 1.00 0.00 O ATOM 320 OD2 ASP A 34 -16.118 -7.464 -2.405 1.00 0.00 O ATOM 321 H ASP A 34 -16.262 -3.448 -4.855 1.00 0.00 H ATOM 322 N TRP A 35 -12.812 -3.695 -3.282 1.00 0.00 N ATOM 323 CA TRP A 35 -11.588 -3.066 -3.734 1.00 0.00 C ATOM 324 C TRP A 35 -10.387 -3.910 -3.368 1.00 0.00 C ATOM 325 O TRP A 35 -10.383 -4.601 -2.347 1.00 0.00 O ATOM 326 CB TRP A 35 -11.460 -1.646 -3.162 1.00 0.00 C ATOM 327 CG TRP A 35 -11.731 -1.545 -1.687 1.00 0.00 C ATOM 328 CD1 TRP A 35 -12.900 -1.148 -1.105 1.00 0.00 C ATOM 329 CD2 TRP A 35 -10.823 -1.835 -0.610 1.00 0.00 C ATOM 330 NE1 TRP A 35 -12.772 -1.167 0.268 1.00 0.00 N ATOM 331 CE2 TRP A 35 -11.509 -1.588 0.593 1.00 0.00 C ATOM 332 CE3 TRP A 35 -9.498 -2.280 -0.545 1.00 0.00 C ATOM 333 CZ2 TRP A 35 -10.914 -1.769 1.843 1.00 0.00 C ATOM 334 CZ3 TRP A 35 -8.912 -2.459 0.695 1.00 0.00 C ATOM 335 CH2 TRP A 35 -9.619 -2.205 1.872 1.00 0.00 C ATOM 336 HE1 TRP A 35 -13.514 -0.904 0.947 1.00 0.00 H ATOM 337 H TRP A 35 -12.939 -3.898 -2.270 1.00 0.00 H ATOM 338 N MET A 36 -9.383 -3.881 -4.224 1.00 0.00 N ATOM 339 CA MET A 36 -8.162 -4.594 -3.968 1.00 0.00 C ATOM 340 C MET A 36 -6.993 -3.623 -3.994 1.00 0.00 C ATOM 341 O MET A 36 -6.641 -3.082 -5.045 1.00 0.00 O ATOM 342 CB MET A 36 -7.971 -5.703 -5.002 1.00 0.00 C ATOM 343 CG MET A 36 -6.774 -6.584 -4.737 1.00 0.00 C ATOM 344 SD MET A 36 -6.701 -7.991 -5.855 1.00 0.00 S ATOM 345 CE MET A 36 -5.475 -7.381 -6.988 1.00 0.00 C ATOM 346 H MET A 36 -9.477 -3.331 -5.102 1.00 0.00 H ATOM 347 N VAL A 37 -6.429 -3.385 -2.827 1.00 0.00 N ATOM 348 CA VAL A 37 -5.280 -2.504 -2.681 1.00 0.00 C ATOM 349 C VAL A 37 -4.008 -3.324 -2.716 1.00 0.00 C ATOM 350 O VAL A 37 -4.021 -4.482 -2.316 1.00 0.00 O ATOM 351 CB VAL A 37 -5.339 -1.729 -1.353 1.00 0.00 C ATOM 352 CG1 VAL A 37 -6.411 -0.678 -1.396 1.00 0.00 C ATOM 353 CG2 VAL A 37 -5.570 -2.676 -0.191 1.00 0.00 C ATOM 354 H VAL A 37 -6.819 -3.844 -1.979 1.00 0.00 H ATOM 355 N PHE A 38 -2.920 -2.745 -3.195 1.00 0.00 N ATOM 356 CA PHE A 38 -1.666 -3.476 -3.273 1.00 0.00 C ATOM 357 C PHE A 38 -0.451 -2.568 -3.176 1.00 0.00 C ATOM 358 O PHE A 38 -0.525 -1.370 -3.459 1.00 0.00 O ATOM 359 CB PHE A 38 -1.593 -4.320 -4.561 1.00 0.00 C ATOM 360 CG PHE A 38 -1.896 -3.588 -5.850 1.00 0.00 C ATOM 361 CD1 PHE A 38 -1.246 -2.410 -6.183 1.00 0.00 C ATOM 362 CD2 PHE A 38 -2.815 -4.112 -6.748 1.00 0.00 C ATOM 363 CE1 PHE A 38 -1.507 -1.769 -7.377 1.00 0.00 C ATOM 364 CE2 PHE A 38 -3.083 -3.469 -7.942 1.00 0.00 C ATOM 365 CZ PHE A 38 -2.427 -2.296 -8.256 1.00 0.00 C ATOM 366 H PHE A 38 -2.962 -1.758 -3.519 1.00 0.00 H ATOM 367 N VAL A 39 0.662 -3.156 -2.747 1.00 0.00 N ATOM 368 CA VAL A 39 1.953 -2.502 -2.826 1.00 0.00 C ATOM 369 C VAL A 39 2.895 -3.379 -3.650 1.00 0.00 C ATOM 370 O VAL A 39 3.056 -4.577 -3.384 1.00 0.00 O ATOM 371 CB VAL A 39 2.566 -2.178 -1.435 1.00 0.00 C ATOM 372 CG1 VAL A 39 1.574 -1.446 -0.559 1.00 0.00 C ATOM 373 CG2 VAL A 39 3.064 -3.407 -0.723 1.00 0.00 C ATOM 374 H VAL A 39 0.604 -4.113 -2.343 1.00 0.00 H ATOM 375 N ARG A 40 3.469 -2.803 -4.687 1.00 0.00 N ATOM 376 CA ARG A 40 4.278 -3.564 -5.627 1.00 0.00 C ATOM 377 C ARG A 40 5.649 -2.939 -5.798 1.00 0.00 C ATOM 378 O ARG A 40 5.947 -1.904 -5.203 1.00 0.00 O ATOM 379 CB ARG A 40 3.569 -3.656 -6.978 1.00 0.00 C ATOM 380 CG ARG A 40 2.229 -4.372 -6.917 1.00 0.00 C ATOM 381 CD ARG A 40 2.385 -5.881 -6.812 1.00 0.00 C ATOM 382 NE ARG A 40 2.992 -6.287 -5.544 1.00 0.00 N ATOM 383 CZ ARG A 40 3.530 -7.483 -5.323 1.00 0.00 C ATOM 384 NH1 ARG A 40 3.476 -8.427 -6.255 1.00 0.00 N ATOM 385 NH2 ARG A 40 4.107 -7.741 -4.156 1.00 0.00 N ATOM 386 HE ARG A 40 3.003 -5.597 -4.766 1.00 0.00 H ATOM 387 HH12 ARG A 40 3.899 -9.360 -6.075 1.00 0.00 H ATOM 388 HH11 ARG A 40 3.011 -8.233 -7.165 1.00 0.00 H ATOM 389 HH22 ARG A 40 4.529 -8.675 -3.980 1.00 0.00 H ATOM 390 HH21 ARG A 40 4.137 -7.009 -3.418 1.00 0.00 H ATOM 391 H ARG A 40 3.341 -1.782 -4.837 1.00 0.00 H ATOM 392 N GLY A 41 6.476 -3.581 -6.606 1.00 0.00 N ATOM 393 CA GLY A 41 7.821 -3.105 -6.824 1.00 0.00 C ATOM 394 C GLY A 41 7.939 -2.274 -8.082 1.00 0.00 C ATOM 395 O GLY A 41 6.959 -2.122 -8.818 1.00 0.00 O ATOM 396 H GLY A 41 6.152 -4.442 -7.092 1.00 0.00 H ATOM 397 N PRO A 42 9.136 -1.741 -8.366 1.00 0.00 N ATOM 398 CA PRO A 42 9.378 -0.964 -9.575 1.00 0.00 C ATOM 399 C PRO A 42 9.185 -1.814 -10.827 1.00 0.00 C ATOM 400 O PRO A 42 9.930 -2.772 -11.054 1.00 0.00 O ATOM 401 CB PRO A 42 10.841 -0.520 -9.463 1.00 0.00 C ATOM 402 CG PRO A 42 11.271 -0.822 -8.066 1.00 0.00 C ATOM 403 CD PRO A 42 10.342 -1.874 -7.534 1.00 0.00 C ATOM 404 N GLU A 43 8.166 -1.480 -11.615 1.00 0.00 N ATOM 405 CA GLU A 43 7.875 -2.192 -12.856 1.00 0.00 C ATOM 406 C GLU A 43 7.556 -3.664 -12.589 1.00 0.00 C ATOM 407 O GLU A 43 8.071 -4.555 -13.267 1.00 0.00 O ATOM 408 CB GLU A 43 9.046 -2.064 -13.836 1.00 0.00 C ATOM 409 CG GLU A 43 9.293 -0.640 -14.309 1.00 0.00 C ATOM 410 CD GLU A 43 8.122 -0.081 -15.089 1.00 0.00 C ATOM 411 OE1 GLU A 43 8.093 -0.251 -16.327 1.00 0.00 O ATOM 412 OE2 GLU A 43 7.219 0.517 -14.469 1.00 0.00 O ATOM 413 H GLU A 43 7.556 -0.685 -11.337 1.00 0.00 H ATOM 414 N HIS A 44 6.707 -3.901 -11.586 1.00 0.00 N ATOM 415 CA HIS A 44 6.233 -5.246 -11.239 1.00 0.00 C ATOM 416 C HIS A 44 7.355 -6.160 -10.730 1.00 0.00 C ATOM 417 O HIS A 44 7.188 -7.378 -10.694 1.00 0.00 O ATOM 418 CB HIS A 44 5.528 -5.907 -12.430 1.00 0.00 C ATOM 419 CG HIS A 44 4.178 -5.332 -12.725 1.00 0.00 C ATOM 420 ND1 HIS A 44 3.012 -5.834 -12.187 1.00 0.00 N ATOM 421 CD2 HIS A 44 3.809 -4.290 -13.507 1.00 0.00 C ATOM 422 CE1 HIS A 44 1.987 -5.127 -12.625 1.00 0.00 C ATOM 423 NE2 HIS A 44 2.445 -4.185 -13.427 1.00 0.00 N ATOM 424 H HIS A 44 6.366 -3.095 -11.024 1.00 0.00 H ATOM 425 N SER A 45 8.498 -5.592 -10.343 1.00 0.00 N ATOM 426 CA SER A 45 9.564 -6.389 -9.745 1.00 0.00 C ATOM 427 C SER A 45 9.113 -6.895 -8.379 1.00 0.00 C ATOM 428 O SER A 45 8.457 -6.160 -7.634 1.00 0.00 O ATOM 429 CB SER A 45 10.826 -5.537 -9.589 1.00 0.00 C ATOM 430 OG SER A 45 10.671 -4.592 -8.551 1.00 0.00 O ATOM 431 HG SER A 45 10.498 -5.065 -7.699 1.00 0.00 H ATOM 432 H SER A 45 8.631 -4.568 -10.469 1.00 0.00 H ATOM 433 N ASN A 46 9.439 -8.139 -8.048 1.00 0.00 N ATOM 434 CA ASN A 46 9.082 -8.670 -6.745 1.00 0.00 C ATOM 435 C ASN A 46 9.905 -7.961 -5.679 1.00 0.00 C ATOM 436 O ASN A 46 11.135 -7.951 -5.733 1.00 0.00 O ATOM 437 CB ASN A 46 9.329 -10.180 -6.697 1.00 0.00 C ATOM 438 CG ASN A 46 8.576 -10.860 -5.566 1.00 0.00 C ATOM 439 OD1 ASN A 46 8.432 -10.304 -4.476 1.00 0.00 O ATOM 440 ND2 ASN A 46 8.060 -12.056 -5.832 1.00 0.00 N ATOM 441 HD22 ASN A 46 8.206 -12.489 -6.766 1.00 0.00 H ATOM 442 HD21 ASN A 46 7.510 -12.558 -5.106 1.00 0.00 H ATOM 443 H ASN A 46 9.953 -8.736 -8.726 1.00 0.00 H ATOM 444 N ILE A 47 9.223 -7.391 -4.700 1.00 0.00 N ATOM 445 CA ILE A 47 9.885 -6.555 -3.707 1.00 0.00 C ATOM 446 C ILE A 47 10.217 -7.314 -2.439 1.00 0.00 C ATOM 447 O ILE A 47 10.841 -6.763 -1.540 1.00 0.00 O ATOM 448 CB ILE A 47 9.114 -5.248 -3.360 1.00 0.00 C ATOM 449 CG1 ILE A 47 7.579 -5.429 -3.306 1.00 0.00 C ATOM 450 CG2 ILE A 47 9.495 -4.174 -4.351 1.00 0.00 C ATOM 451 CD1 ILE A 47 6.813 -4.204 -2.834 1.00 0.00 C ATOM 452 H ILE A 47 8.196 -7.542 -4.638 1.00 0.00 H ATOM 453 N GLN A 48 9.859 -8.592 -2.389 1.00 0.00 N ATOM 454 CA GLN A 48 10.041 -9.390 -1.173 1.00 0.00 C ATOM 455 C GLN A 48 11.516 -9.566 -0.812 1.00 0.00 C ATOM 456 O GLN A 48 11.839 -10.139 0.230 1.00 0.00 O ATOM 457 CB GLN A 48 9.393 -10.764 -1.320 1.00 0.00 C ATOM 458 CG GLN A 48 7.910 -10.801 -0.980 1.00 0.00 C ATOM 459 CD GLN A 48 7.330 -12.180 -1.078 1.00 0.00 C ATOM 460 OE1 GLN A 48 8.046 -13.182 -1.000 1.00 0.00 O ATOM 461 NE2 GLN A 48 6.024 -12.245 -1.169 1.00 0.00 N ATOM 462 HE22 GLN A 48 5.463 -11.372 -1.233 1.00 0.00 H ATOM 463 HE21 GLN A 48 5.549 -13.170 -1.178 1.00 0.00 H ATOM 464 H GLN A 48 9.440 -9.036 -3.231 1.00 0.00 H ATOM 465 N HIS A 49 12.403 -9.076 -1.668 1.00 0.00 N ATOM 466 CA HIS A 49 13.832 -9.151 -1.402 1.00 0.00 C ATOM 467 C HIS A 49 14.246 -8.114 -0.362 1.00 0.00 C ATOM 468 O HIS A 49 15.129 -8.366 0.454 1.00 0.00 O ATOM 469 CB HIS A 49 14.638 -8.979 -2.691 1.00 0.00 C ATOM 470 CG HIS A 49 14.493 -10.134 -3.635 1.00 0.00 C ATOM 471 ND1 HIS A 49 15.156 -11.332 -3.468 1.00 0.00 N ATOM 472 CD2 HIS A 49 13.742 -10.278 -4.755 1.00 0.00 C ATOM 473 CE1 HIS A 49 14.820 -12.157 -4.441 1.00 0.00 C ATOM 474 NE2 HIS A 49 13.966 -11.542 -5.232 1.00 0.00 N ATOM 475 H HIS A 49 12.071 -8.629 -2.547 1.00 0.00 H ATOM 476 N PHE A 50 13.607 -6.949 -0.380 1.00 0.00 N ATOM 477 CA PHE A 50 13.853 -5.956 0.660 1.00 0.00 C ATOM 478 C PHE A 50 12.600 -5.704 1.493 1.00 0.00 C ATOM 479 O PHE A 50 12.684 -5.197 2.610 1.00 0.00 O ATOM 480 CB PHE A 50 14.405 -4.646 0.077 1.00 0.00 C ATOM 481 CG PHE A 50 13.463 -3.875 -0.819 1.00 0.00 C ATOM 482 CD1 PHE A 50 12.598 -2.930 -0.289 1.00 0.00 C ATOM 483 CD2 PHE A 50 13.458 -4.081 -2.193 1.00 0.00 C ATOM 484 CE1 PHE A 50 11.744 -2.212 -1.107 1.00 0.00 C ATOM 485 CE2 PHE A 50 12.604 -3.363 -3.011 1.00 0.00 C ATOM 486 CZ PHE A 50 11.748 -2.430 -2.466 1.00 0.00 C ATOM 487 H PHE A 50 12.927 -6.744 -1.140 1.00 0.00 H ATOM 488 N VAL A 51 11.453 -6.097 0.966 1.00 0.00 N ATOM 489 CA VAL A 51 10.187 -5.951 1.667 1.00 0.00 C ATOM 490 C VAL A 51 9.883 -7.212 2.467 1.00 0.00 C ATOM 491 O VAL A 51 9.855 -8.320 1.927 1.00 0.00 O ATOM 492 CB VAL A 51 9.053 -5.651 0.672 1.00 0.00 C ATOM 493 CG1 VAL A 51 7.715 -5.519 1.366 1.00 0.00 C ATOM 494 CG2 VAL A 51 9.364 -4.380 -0.085 1.00 0.00 C ATOM 495 H VAL A 51 11.456 -6.525 0.018 1.00 0.00 H ATOM 496 N GLU A 52 9.702 -7.032 3.764 1.00 0.00 N ATOM 497 CA GLU A 52 9.472 -8.139 4.676 1.00 0.00 C ATOM 498 C GLU A 52 7.983 -8.443 4.785 1.00 0.00 C ATOM 499 O GLU A 52 7.531 -9.560 4.519 1.00 0.00 O ATOM 500 CB GLU A 52 10.018 -7.780 6.061 1.00 0.00 C ATOM 501 CG GLU A 52 9.903 -8.898 7.086 1.00 0.00 C ATOM 502 CD GLU A 52 10.834 -10.055 6.796 1.00 0.00 C ATOM 503 OE1 GLU A 52 10.632 -10.748 5.778 1.00 0.00 O ATOM 504 OE2 GLU A 52 11.774 -10.278 7.584 1.00 0.00 O ATOM 505 H GLU A 52 9.725 -6.064 4.145 1.00 0.00 H ATOM 506 N LYS A 53 7.238 -7.432 5.190 1.00 0.00 N ATOM 507 CA LYS A 53 5.819 -7.554 5.440 1.00 0.00 C ATOM 508 C LYS A 53 5.166 -6.202 5.215 1.00 0.00 C ATOM 509 O LYS A 53 5.814 -5.173 5.332 1.00 0.00 O ATOM 510 CB LYS A 53 5.621 -8.065 6.878 1.00 0.00 C ATOM 511 CG LYS A 53 4.461 -7.463 7.655 1.00 0.00 C ATOM 512 CD LYS A 53 4.521 -7.943 9.108 1.00 0.00 C ATOM 513 CE LYS A 53 3.645 -7.147 10.070 1.00 0.00 C ATOM 514 NZ LYS A 53 3.457 -7.869 11.356 1.00 0.00 N ATOM 515 HZ1 LYS A 53 3.000 -8.785 11.174 1.00 0.00 H ATOM 516 HZ2 LYS A 53 4.383 -8.024 11.803 1.00 0.00 H ATOM 517 HZ3 LYS A 53 2.857 -7.300 11.987 1.00 0.00 H ATOM 518 H LYS A 53 7.691 -6.507 5.336 1.00 0.00 H ATOM 519 N VAL A 54 3.906 -6.198 4.854 1.00 0.00 N ATOM 520 CA VAL A 54 3.209 -4.951 4.597 1.00 0.00 C ATOM 521 C VAL A 54 1.885 -4.931 5.341 1.00 0.00 C ATOM 522 O VAL A 54 1.356 -5.983 5.682 1.00 0.00 O ATOM 523 CB VAL A 54 2.994 -4.721 3.090 1.00 0.00 C ATOM 524 CG1 VAL A 54 2.237 -3.432 2.855 1.00 0.00 C ATOM 525 CG2 VAL A 54 4.327 -4.681 2.360 1.00 0.00 C ATOM 526 H VAL A 54 3.399 -7.100 4.750 1.00 0.00 H ATOM 527 N VAL A 55 1.365 -3.741 5.600 1.00 0.00 N ATOM 528 CA VAL A 55 0.154 -3.593 6.392 1.00 0.00 C ATOM 529 C VAL A 55 -0.745 -2.496 5.823 1.00 0.00 C ATOM 530 O VAL A 55 -0.273 -1.433 5.411 1.00 0.00 O ATOM 531 CB VAL A 55 0.483 -3.288 7.875 1.00 0.00 C ATOM 532 CG1 VAL A 55 1.208 -1.965 8.005 1.00 0.00 C ATOM 533 CG2 VAL A 55 -0.774 -3.293 8.736 1.00 0.00 C ATOM 534 H VAL A 55 1.834 -2.891 5.228 1.00 0.00 H ATOM 535 N PHE A 56 -2.038 -2.772 5.795 1.00 0.00 N ATOM 536 CA PHE A 56 -3.029 -1.826 5.331 1.00 0.00 C ATOM 537 C PHE A 56 -3.997 -1.560 6.458 1.00 0.00 C ATOM 538 O PHE A 56 -4.743 -2.448 6.873 1.00 0.00 O ATOM 539 CB PHE A 56 -3.790 -2.358 4.111 1.00 0.00 C ATOM 540 CG PHE A 56 -2.948 -2.505 2.877 1.00 0.00 C ATOM 541 CD1 PHE A 56 -1.949 -3.460 2.809 1.00 0.00 C ATOM 542 CD2 PHE A 56 -3.164 -1.688 1.785 1.00 0.00 C ATOM 543 CE1 PHE A 56 -1.177 -3.595 1.672 1.00 0.00 C ATOM 544 CE2 PHE A 56 -2.402 -1.817 0.643 1.00 0.00 C ATOM 545 CZ PHE A 56 -1.404 -2.774 0.585 1.00 0.00 C ATOM 546 H PHE A 56 -2.355 -3.708 6.120 1.00 0.00 H ATOM 547 N HIS A 57 -3.939 -0.361 6.985 1.00 0.00 N ATOM 548 CA HIS A 57 -4.828 0.039 8.063 1.00 0.00 C ATOM 549 C HIS A 57 -6.171 0.477 7.491 1.00 0.00 C ATOM 550 O HIS A 57 -6.335 1.626 7.082 1.00 0.00 O ATOM 551 CB HIS A 57 -4.198 1.164 8.896 1.00 0.00 C ATOM 552 CG HIS A 57 -2.893 0.781 9.530 1.00 0.00 C ATOM 553 ND1 HIS A 57 -2.809 0.125 10.736 1.00 0.00 N ATOM 554 CD2 HIS A 57 -1.613 0.962 9.116 1.00 0.00 C ATOM 555 CE1 HIS A 57 -1.541 -0.079 11.038 1.00 0.00 C ATOM 556 NE2 HIS A 57 -0.791 0.422 10.073 1.00 0.00 N ATOM 557 H HIS A 57 -3.241 0.320 6.623 1.00 0.00 H ATOM 558 N LEU A 58 -7.117 -0.457 7.440 1.00 0.00 N ATOM 559 CA LEU A 58 -8.435 -0.188 6.881 1.00 0.00 C ATOM 560 C LEU A 58 -9.287 0.551 7.904 1.00 0.00 C ATOM 561 O LEU A 58 -8.822 0.865 9.000 1.00 0.00 O ATOM 562 CB LEU A 58 -9.142 -1.491 6.467 1.00 0.00 C ATOM 563 CG LEU A 58 -8.269 -2.546 5.776 1.00 0.00 C ATOM 564 CD1 LEU A 58 -9.129 -3.669 5.226 1.00 0.00 C ATOM 565 CD2 LEU A 58 -7.441 -1.932 4.667 1.00 0.00 C ATOM 566 H LEU A 58 -6.910 -1.407 7.810 1.00 0.00 H ATOM 567 N HIS A 59 -10.539 0.816 7.561 1.00 0.00 N ATOM 568 CA HIS A 59 -11.423 1.524 8.476 1.00 0.00 C ATOM 569 C HIS A 59 -11.943 0.522 9.494 1.00 0.00 C ATOM 570 O HIS A 59 -12.138 -0.645 9.181 1.00 0.00 O ATOM 571 CB HIS A 59 -12.578 2.193 7.707 1.00 0.00 C ATOM 572 CG HIS A 59 -13.262 3.313 8.444 1.00 0.00 C ATOM 573 ND1 HIS A 59 -13.124 4.639 8.090 1.00 0.00 N ATOM 574 CD2 HIS A 59 -14.110 3.299 9.500 1.00 0.00 C ATOM 575 CE1 HIS A 59 -13.855 5.387 8.899 1.00 0.00 C ATOM 576 NE2 HIS A 59 -14.463 4.598 9.761 1.00 0.00 N ATOM 577 H HIS A 59 -10.893 0.516 6.630 1.00 0.00 H ATOM 578 N GLU A 60 -12.130 0.989 10.715 1.00 0.00 N ATOM 579 CA GLU A 60 -12.526 0.135 11.842 1.00 0.00 C ATOM 580 C GLU A 60 -13.827 -0.620 11.571 1.00 0.00 C ATOM 581 O GLU A 60 -14.119 -1.618 12.227 1.00 0.00 O ATOM 582 CB GLU A 60 -12.677 0.970 13.107 1.00 0.00 C ATOM 583 CG GLU A 60 -11.385 1.619 13.583 1.00 0.00 C ATOM 584 CD GLU A 60 -10.298 0.615 13.916 1.00 0.00 C ATOM 585 OE1 GLU A 60 -10.492 -0.192 14.850 1.00 0.00 O ATOM 586 OE2 GLU A 60 -9.229 0.654 13.273 1.00 0.00 O ATOM 587 H GLU A 60 -11.991 2.005 10.886 1.00 0.00 H ATOM 588 N SER A 61 -14.607 -0.124 10.619 1.00 0.00 N ATOM 589 CA SER A 61 -15.840 -0.778 10.198 1.00 0.00 C ATOM 590 C SER A 61 -15.541 -2.107 9.505 1.00 0.00 C ATOM 591 O SER A 61 -16.397 -2.988 9.422 1.00 0.00 O ATOM 592 CB SER A 61 -16.595 0.143 9.242 1.00 0.00 C ATOM 593 OG SER A 61 -16.582 1.478 9.719 1.00 0.00 O ATOM 594 HG SER A 61 -17.076 2.058 9.086 1.00 0.00 H ATOM 595 H SER A 61 -14.328 0.765 10.156 1.00 0.00 H ATOM 596 N PHE A 62 -14.319 -2.236 9.005 1.00 0.00 N ATOM 597 CA PHE A 62 -13.886 -3.442 8.323 1.00 0.00 C ATOM 598 C PHE A 62 -13.467 -4.493 9.344 1.00 0.00 C ATOM 599 O PHE A 62 -12.780 -4.172 10.317 1.00 0.00 O ATOM 600 CB PHE A 62 -12.705 -3.130 7.396 1.00 0.00 C ATOM 601 CG PHE A 62 -13.044 -2.237 6.234 1.00 0.00 C ATOM 602 CD1 PHE A 62 -13.092 -0.867 6.378 1.00 0.00 C ATOM 603 CD2 PHE A 62 -13.302 -2.777 4.996 1.00 0.00 C ATOM 604 CE1 PHE A 62 -13.395 -0.051 5.308 1.00 0.00 C ATOM 605 CE2 PHE A 62 -13.608 -1.973 3.916 1.00 0.00 C ATOM 606 CZ PHE A 62 -13.656 -0.605 4.073 1.00 0.00 C ATOM 607 H PHE A 62 -13.649 -1.447 9.105 1.00 0.00 H ATOM 608 N PRO A 63 -13.892 -5.753 9.156 1.00 0.00 N ATOM 609 CA PRO A 63 -13.455 -6.862 10.006 1.00 0.00 C ATOM 610 C PRO A 63 -11.940 -7.005 9.972 1.00 0.00 C ATOM 611 O PRO A 63 -11.366 -7.260 8.909 1.00 0.00 O ATOM 612 CB PRO A 63 -14.123 -8.090 9.380 1.00 0.00 C ATOM 613 CG PRO A 63 -15.273 -7.545 8.603 1.00 0.00 C ATOM 614 CD PRO A 63 -14.838 -6.193 8.116 1.00 0.00 C ATOM 615 N ARG A 64 -11.305 -6.834 11.133 1.00 0.00 N ATOM 616 CA ARG A 64 -9.846 -6.805 11.226 1.00 0.00 C ATOM 617 C ARG A 64 -9.289 -5.657 10.387 1.00 0.00 C ATOM 618 O ARG A 64 -8.860 -5.865 9.258 1.00 0.00 O ATOM 619 CB ARG A 64 -9.240 -8.133 10.760 1.00 0.00 C ATOM 620 CG ARG A 64 -9.554 -9.311 11.666 1.00 0.00 C ATOM 621 CD ARG A 64 -9.112 -10.612 11.036 1.00 0.00 C ATOM 622 NE ARG A 64 -7.678 -10.630 10.754 1.00 0.00 N ATOM 623 CZ ARG A 64 -7.138 -11.180 9.668 1.00 0.00 C ATOM 624 NH1 ARG A 64 -7.911 -11.771 8.761 1.00 0.00 N ATOM 625 NH2 ARG A 64 -5.823 -11.135 9.488 1.00 0.00 N ATOM 626 HE ARG A 64 -7.040 -10.186 11.444 1.00 0.00 H ATOM 627 HH12 ARG A 64 -7.485 -12.199 7.914 1.00 0.00 H ATOM 628 HH11 ARG A 64 -8.941 -11.805 8.898 1.00 0.00 H ATOM 629 HH22 ARG A 64 -5.399 -11.564 8.641 1.00 0.00 H ATOM 630 HH21 ARG A 64 -5.217 -10.671 10.194 1.00 0.00 H ATOM 631 H ARG A 64 -11.866 -6.717 12.001 1.00 0.00 H ATOM 632 N PRO A 65 -9.306 -4.422 10.914 1.00 0.00 N ATOM 633 CA PRO A 65 -8.828 -3.240 10.180 1.00 0.00 C ATOM 634 C PRO A 65 -7.363 -3.348 9.751 1.00 0.00 C ATOM 635 O PRO A 65 -6.938 -2.696 8.804 1.00 0.00 O ATOM 636 CB PRO A 65 -9.004 -2.094 11.184 1.00 0.00 C ATOM 637 CG PRO A 65 -9.102 -2.761 12.512 1.00 0.00 C ATOM 638 CD PRO A 65 -9.797 -4.063 12.253 1.00 0.00 C ATOM 639 N LYS A 66 -6.598 -4.181 10.433 1.00 0.00 N ATOM 640 CA LYS A 66 -5.188 -4.298 10.170 1.00 0.00 C ATOM 641 C LYS A 66 -4.896 -5.524 9.324 1.00 0.00 C ATOM 642 O LYS A 66 -5.017 -6.660 9.784 1.00 0.00 O ATOM 643 CB LYS A 66 -4.419 -4.383 11.476 1.00 0.00 C ATOM 644 CG LYS A 66 -2.917 -4.405 11.278 1.00 0.00 C ATOM 645 CD LYS A 66 -2.191 -4.636 12.585 1.00 0.00 C ATOM 646 CE LYS A 66 -0.749 -5.043 12.356 1.00 0.00 C ATOM 647 NZ LYS A 66 -0.038 -5.301 13.634 1.00 0.00 N ATOM 648 HZ1 LYS A 66 -0.046 -4.438 14.214 1.00 0.00 H ATOM 649 HZ2 LYS A 66 -0.517 -6.069 14.147 1.00 0.00 H ATOM 650 HZ3 LYS A 66 0.945 -5.576 13.433 1.00 0.00 H ATOM 651 H LYS A 66 -7.025 -4.767 11.179 1.00 0.00 H ATOM 652 N ARG A 67 -4.522 -5.287 8.086 1.00 0.00 N ATOM 653 CA ARG A 67 -4.170 -6.369 7.184 1.00 0.00 C ATOM 654 C ARG A 67 -2.676 -6.386 6.925 1.00 0.00 C ATOM 655 O ARG A 67 -2.163 -5.540 6.196 1.00 0.00 O ATOM 656 CB ARG A 67 -4.906 -6.222 5.855 1.00 0.00 C ATOM 657 CG ARG A 67 -6.399 -6.035 6.002 1.00 0.00 C ATOM 658 CD ARG A 67 -7.004 -7.126 6.864 1.00 0.00 C ATOM 659 NE ARG A 67 -8.452 -7.000 6.969 1.00 0.00 N ATOM 660 CZ ARG A 67 -9.318 -7.445 6.064 1.00 0.00 C ATOM 661 NH1 ARG A 67 -8.899 -8.069 4.970 1.00 0.00 N ATOM 662 NH2 ARG A 67 -10.615 -7.280 6.262 1.00 0.00 N ATOM 663 HE ARG A 67 -8.835 -6.528 7.813 1.00 0.00 H ATOM 664 HH12 ARG A 67 -9.588 -8.412 4.271 1.00 0.00 H ATOM 665 HH11 ARG A 67 -7.881 -8.215 4.812 1.00 0.00 H ATOM 666 HH22 ARG A 67 -11.297 -7.626 5.557 1.00 0.00 H ATOM 667 HH21 ARG A 67 -10.953 -6.804 7.123 1.00 0.00 H ATOM 668 H ARG A 67 -4.477 -4.305 7.746 1.00 0.00 H ATOM 669 N VAL A 68 -1.974 -7.327 7.536 1.00 0.00 N ATOM 670 CA VAL A 68 -0.569 -7.520 7.235 1.00 0.00 C ATOM 671 C VAL A 68 -0.436 -8.654 6.220 1.00 0.00 C ATOM 672 O VAL A 68 -1.128 -9.667 6.315 1.00 0.00 O ATOM 673 CB VAL A 68 0.286 -7.824 8.500 1.00 0.00 C ATOM 674 CG1 VAL A 68 -0.094 -6.911 9.652 1.00 0.00 C ATOM 675 CG2 VAL A 68 0.192 -9.286 8.897 1.00 0.00 C ATOM 676 H VAL A 68 -2.436 -7.936 8.241 1.00 0.00 H ATOM 677 N CYS A 69 0.409 -8.466 5.229 1.00 0.00 N ATOM 678 CA CYS A 69 0.625 -9.474 4.211 1.00 0.00 C ATOM 679 C CYS A 69 2.088 -9.895 4.194 1.00 0.00 C ATOM 680 O CYS A 69 2.971 -9.104 3.870 1.00 0.00 O ATOM 681 CB CYS A 69 0.188 -8.951 2.837 1.00 0.00 C ATOM 682 SG CYS A 69 -1.545 -8.440 2.766 1.00 0.00 S ATOM 683 H CYS A 69 0.935 -7.571 5.175 1.00 0.00 H ATOM 684 N LYS A 70 2.331 -11.125 4.619 1.00 0.00 N ATOM 685 CA LYS A 70 3.669 -11.718 4.590 1.00 0.00 C ATOM 686 C LYS A 70 3.798 -12.629 3.372 1.00 0.00 C ATOM 687 O LYS A 70 4.896 -12.897 2.878 1.00 0.00 O ATOM 688 CB LYS A 70 3.894 -12.549 5.857 1.00 0.00 C ATOM 689 CG LYS A 70 3.074 -12.091 7.060 1.00 0.00 C ATOM 690 CD LYS A 70 3.499 -12.805 8.328 1.00 0.00 C ATOM 691 CE LYS A 70 2.609 -12.420 9.495 1.00 0.00 C ATOM 692 NZ LYS A 70 3.127 -12.947 10.784 1.00 0.00 N ATOM 693 HZ1 LYS A 70 3.175 -13.985 10.739 1.00 0.00 H ATOM 694 HZ2 LYS A 70 4.077 -12.562 10.958 1.00 0.00 H ATOM 695 HZ3 LYS A 70 2.490 -12.662 11.555 1.00 0.00 H ATOM 696 H LYS A 70 1.541 -11.692 4.988 1.00 0.00 H ATOM 697 N ASP A 71 2.648 -13.110 2.928 1.00 0.00 N ATOM 698 CA ASP A 71 2.520 -13.997 1.774 1.00 0.00 C ATOM 699 C ASP A 71 2.902 -13.251 0.479 1.00 0.00 C ATOM 700 O ASP A 71 3.245 -12.069 0.542 1.00 0.00 O ATOM 701 CB ASP A 71 1.048 -14.467 1.738 1.00 0.00 C ATOM 702 CG ASP A 71 0.791 -15.718 0.926 1.00 0.00 C ATOM 703 OD1 ASP A 71 1.100 -16.825 1.409 1.00 0.00 O ATOM 704 OD2 ASP A 71 0.248 -15.607 -0.190 1.00 0.00 O ATOM 705 H ASP A 71 1.780 -12.839 3.433 1.00 0.00 H ATOM 706 N PRO A 72 2.980 -13.961 -0.679 1.00 0.00 N ATOM 707 CA PRO A 72 2.897 -13.387 -2.044 1.00 0.00 C ATOM 708 C PRO A 72 2.020 -12.100 -2.177 1.00 0.00 C ATOM 709 O PRO A 72 1.605 -11.537 -1.172 1.00 0.00 O ATOM 710 CB PRO A 72 2.304 -14.566 -2.808 1.00 0.00 C ATOM 711 CG PRO A 72 2.842 -15.785 -2.150 1.00 0.00 C ATOM 712 CD PRO A 72 3.300 -15.394 -0.767 1.00 0.00 C ATOM 713 N PRO A 73 1.660 -11.645 -3.423 1.00 0.00 N ATOM 714 CA PRO A 73 1.338 -10.238 -3.710 1.00 0.00 C ATOM 715 C PRO A 73 0.686 -9.481 -2.552 1.00 0.00 C ATOM 716 O PRO A 73 -0.366 -9.878 -2.047 1.00 0.00 O ATOM 717 CB PRO A 73 0.380 -10.311 -4.917 1.00 0.00 C ATOM 718 CG PRO A 73 0.150 -11.764 -5.151 1.00 0.00 C ATOM 719 CD PRO A 73 1.380 -12.443 -4.622 1.00 0.00 C ATOM 720 N TYR A 74 1.341 -8.405 -2.125 1.00 0.00 N ATOM 721 CA TYR A 74 0.838 -7.565 -1.047 1.00 0.00 C ATOM 722 C TYR A 74 -0.444 -6.872 -1.464 1.00 0.00 C ATOM 723 O TYR A 74 -0.405 -5.788 -2.039 1.00 0.00 O ATOM 724 CB TYR A 74 1.881 -6.514 -0.665 1.00 0.00 C ATOM 725 CG TYR A 74 3.179 -7.099 -0.181 1.00 0.00 C ATOM 726 CD1 TYR A 74 3.199 -8.031 0.840 1.00 0.00 C ATOM 727 CD2 TYR A 74 4.387 -6.711 -0.741 1.00 0.00 C ATOM 728 CE1 TYR A 74 4.384 -8.561 1.294 1.00 0.00 C ATOM 729 CE2 TYR A 74 5.578 -7.238 -0.291 1.00 0.00 C ATOM 730 CZ TYR A 74 5.571 -8.164 0.729 1.00 0.00 C ATOM 731 OH TYR A 74 6.756 -8.695 1.181 1.00 0.00 O ATOM 732 HH TYR A 74 7.334 -7.967 1.521 1.00 0.00 H ATOM 733 H TYR A 74 2.244 -8.155 -2.577 1.00 0.00 H ATOM 734 N LYS A 75 -1.569 -7.502 -1.175 1.00 0.00 N ATOM 735 CA LYS A 75 -2.863 -6.959 -1.551 1.00 0.00 C ATOM 736 C LYS A 75 -3.946 -7.338 -0.565 1.00 0.00 C ATOM 737 O LYS A 75 -3.920 -8.409 0.039 1.00 0.00 O ATOM 738 CB LYS A 75 -3.288 -7.399 -2.958 1.00 0.00 C ATOM 739 CG LYS A 75 -2.700 -8.709 -3.422 1.00 0.00 C ATOM 740 CD LYS A 75 -3.434 -9.231 -4.635 1.00 0.00 C ATOM 741 CE LYS A 75 -4.479 -10.236 -4.237 1.00 0.00 C ATOM 742 NZ LYS A 75 -5.303 -10.698 -5.384 1.00 0.00 N ATOM 743 HZ1 LYS A 75 -5.791 -9.884 -5.809 1.00 0.00 H ATOM 744 HZ2 LYS A 75 -4.688 -11.144 -6.094 1.00 0.00 H ATOM 745 HZ3 LYS A 75 -6.005 -11.388 -5.049 1.00 0.00 H ATOM 746 H LYS A 75 -1.527 -8.408 -0.666 1.00 0.00 H ATOM 747 N VAL A 76 -4.898 -6.438 -0.428 1.00 0.00 N ATOM 748 CA VAL A 76 -6.058 -6.648 0.408 1.00 0.00 C ATOM 749 C VAL A 76 -7.310 -6.592 -0.450 1.00 0.00 C ATOM 750 O VAL A 76 -7.492 -5.656 -1.227 1.00 0.00 O ATOM 751 CB VAL A 76 -6.152 -5.583 1.518 1.00 0.00 C ATOM 752 CG1 VAL A 76 -7.427 -5.753 2.323 1.00 0.00 C ATOM 753 CG2 VAL A 76 -4.932 -5.637 2.421 1.00 0.00 C ATOM 754 H VAL A 76 -4.811 -5.539 -0.943 1.00 0.00 H ATOM 755 N GLU A 77 -8.155 -7.597 -0.321 1.00 0.00 N ATOM 756 CA GLU A 77 -9.388 -7.664 -1.086 1.00 0.00 C ATOM 757 C GLU A 77 -10.573 -7.625 -0.140 1.00 0.00 C ATOM 758 O GLU A 77 -10.915 -8.629 0.486 1.00 0.00 O ATOM 759 CB GLU A 77 -9.434 -8.937 -1.930 1.00 0.00 C ATOM 760 CG GLU A 77 -8.349 -9.015 -2.993 1.00 0.00 C ATOM 761 CD GLU A 77 -8.448 -10.260 -3.848 1.00 0.00 C ATOM 762 OE1 GLU A 77 -9.360 -10.334 -4.698 1.00 0.00 O ATOM 763 OE2 GLU A 77 -7.596 -11.160 -3.696 1.00 0.00 O ATOM 764 H GLU A 77 -7.932 -8.362 0.347 1.00 0.00 H ATOM 765 N GLU A 78 -11.193 -6.467 -0.035 1.00 0.00 N ATOM 766 CA GLU A 78 -12.267 -6.271 0.932 1.00 0.00 C ATOM 767 C GLU A 78 -13.463 -5.578 0.287 1.00 0.00 C ATOM 768 O GLU A 78 -13.384 -5.106 -0.848 1.00 0.00 O ATOM 769 CB GLU A 78 -11.759 -5.449 2.122 1.00 0.00 C ATOM 770 CG GLU A 78 -12.328 -5.880 3.469 1.00 0.00 C ATOM 771 CD GLU A 78 -12.575 -7.372 3.557 1.00 0.00 C ATOM 772 OE1 GLU A 78 -13.689 -7.812 3.212 1.00 0.00 O ATOM 773 OE2 GLU A 78 -11.663 -8.110 3.982 1.00 0.00 O ATOM 774 H GLU A 78 -10.912 -5.679 -0.653 1.00 0.00 H ATOM 775 N SER A 79 -14.561 -5.528 1.023 1.00 0.00 N ATOM 776 CA SER A 79 -15.805 -4.965 0.527 1.00 0.00 C ATOM 777 C SER A 79 -16.244 -3.798 1.419 1.00 0.00 C ATOM 778 O SER A 79 -16.032 -3.824 2.632 1.00 0.00 O ATOM 779 CB SER A 79 -16.890 -6.056 0.483 1.00 0.00 C ATOM 780 OG SER A 79 -17.988 -5.668 -0.326 1.00 0.00 O ATOM 781 HG SER A 79 -17.673 -5.502 -1.250 1.00 0.00 H ATOM 782 H SER A 79 -14.533 -5.905 1.992 1.00 0.00 H ATOM 783 N GLY A 80 -16.842 -2.779 0.810 1.00 0.00 N ATOM 784 CA GLY A 80 -17.300 -1.617 1.550 1.00 0.00 C ATOM 785 C GLY A 80 -18.301 -0.806 0.753 1.00 0.00 C ATOM 786 O GLY A 80 -18.876 -1.307 -0.215 1.00 0.00 O ATOM 787 H GLY A 80 -16.985 -2.815 -0.219 1.00 0.00 H ATOM 788 N TYR A 81 -18.518 0.445 1.140 1.00 0.00 N ATOM 789 CA TYR A 81 -19.449 1.302 0.411 1.00 0.00 C ATOM 790 C TYR A 81 -18.918 2.723 0.241 1.00 0.00 C ATOM 791 O TYR A 81 -19.432 3.479 -0.582 1.00 0.00 O ATOM 792 CB TYR A 81 -20.823 1.338 1.098 1.00 0.00 C ATOM 793 CG TYR A 81 -20.804 1.843 2.527 1.00 0.00 C ATOM 794 CD1 TYR A 81 -20.907 3.202 2.811 1.00 0.00 C ATOM 795 CD2 TYR A 81 -20.693 0.959 3.592 1.00 0.00 C ATOM 796 CE1 TYR A 81 -20.893 3.661 4.113 1.00 0.00 C ATOM 797 CE2 TYR A 81 -20.682 1.412 4.897 1.00 0.00 C ATOM 798 CZ TYR A 81 -20.780 2.763 5.150 1.00 0.00 C ATOM 799 OH TYR A 81 -20.768 3.216 6.447 1.00 0.00 O ATOM 800 HH TYR A 81 -20.846 4.203 6.451 1.00 0.00 H ATOM 801 H TYR A 81 -18.019 0.819 1.972 1.00 0.00 H ATOM 802 N ALA A 82 -17.889 3.082 0.998 1.00 0.00 N ATOM 803 CA ALA A 82 -17.380 4.447 0.976 1.00 0.00 C ATOM 804 C ALA A 82 -15.866 4.469 1.084 1.00 0.00 C ATOM 805 O ALA A 82 -15.266 3.617 1.741 1.00 0.00 O ATOM 806 CB ALA A 82 -18.004 5.259 2.098 1.00 0.00 C ATOM 807 H ALA A 82 -17.439 2.378 1.617 1.00 0.00 H ATOM 808 N GLY A 83 -15.261 5.444 0.423 1.00 0.00 N ATOM 809 CA GLY A 83 -13.818 5.557 0.406 1.00 0.00 C ATOM 810 C GLY A 83 -13.269 6.327 1.591 1.00 0.00 C ATOM 811 O GLY A 83 -14.026 6.947 2.345 1.00 0.00 O ATOM 812 H GLY A 83 -15.833 6.142 -0.094 1.00 0.00 H ATOM 813 N PHE A 84 -11.946 6.292 1.743 1.00 0.00 N ATOM 814 CA PHE A 84 -11.267 6.931 2.866 1.00 0.00 C ATOM 815 C PHE A 84 -9.755 6.921 2.645 1.00 0.00 C ATOM 816 O PHE A 84 -9.246 6.146 1.833 1.00 0.00 O ATOM 817 CB PHE A 84 -11.608 6.208 4.183 1.00 0.00 C ATOM 818 CG PHE A 84 -11.170 4.761 4.243 1.00 0.00 C ATOM 819 CD1 PHE A 84 -11.761 3.807 3.428 1.00 0.00 C ATOM 820 CD2 PHE A 84 -10.177 4.354 5.125 1.00 0.00 C ATOM 821 CE1 PHE A 84 -11.374 2.484 3.490 1.00 0.00 C ATOM 822 CE2 PHE A 84 -9.784 3.029 5.187 1.00 0.00 C ATOM 823 CZ PHE A 84 -10.385 2.094 4.370 1.00 0.00 C ATOM 824 H PHE A 84 -11.375 5.790 1.034 1.00 0.00 H ATOM 825 N ILE A 85 -9.049 7.807 3.344 1.00 0.00 N ATOM 826 CA ILE A 85 -7.591 7.783 3.354 1.00 0.00 C ATOM 827 C ILE A 85 -7.100 6.544 4.083 1.00 0.00 C ATOM 828 O ILE A 85 -7.386 6.353 5.265 1.00 0.00 O ATOM 829 CB ILE A 85 -6.994 9.043 4.028 1.00 0.00 C ATOM 830 CG1 ILE A 85 -7.104 10.254 3.108 1.00 0.00 C ATOM 831 CG2 ILE A 85 -5.537 8.830 4.410 1.00 0.00 C ATOM 832 CD1 ILE A 85 -6.363 10.099 1.798 1.00 0.00 C ATOM 833 H ILE A 85 -9.549 8.533 3.896 1.00 0.00 H ATOM 834 N LEU A 86 -6.365 5.714 3.372 1.00 0.00 N ATOM 835 CA LEU A 86 -5.862 4.478 3.923 1.00 0.00 C ATOM 836 C LEU A 86 -4.340 4.547 4.032 1.00 0.00 C ATOM 837 O LEU A 86 -3.628 4.490 3.027 1.00 0.00 O ATOM 838 CB LEU A 86 -6.308 3.321 3.025 1.00 0.00 C ATOM 839 CG LEU A 86 -6.208 1.930 3.642 1.00 0.00 C ATOM 840 CD1 LEU A 86 -7.155 0.961 2.955 1.00 0.00 C ATOM 841 CD2 LEU A 86 -4.797 1.408 3.556 1.00 0.00 C ATOM 842 H LEU A 86 -6.141 5.956 2.386 1.00 0.00 H ATOM 843 N PRO A 87 -3.826 4.723 5.257 1.00 0.00 N ATOM 844 CA PRO A 87 -2.388 4.702 5.524 1.00 0.00 C ATOM 845 C PRO A 87 -1.791 3.302 5.377 1.00 0.00 C ATOM 846 O PRO A 87 -2.200 2.355 6.063 1.00 0.00 O ATOM 847 CB PRO A 87 -2.266 5.187 6.977 1.00 0.00 C ATOM 848 CG PRO A 87 -3.613 5.714 7.348 1.00 0.00 C ATOM 849 CD PRO A 87 -4.604 5.010 6.468 1.00 0.00 C ATOM 850 N ILE A 88 -0.831 3.179 4.472 1.00 0.00 N ATOM 851 CA ILE A 88 -0.149 1.917 4.236 1.00 0.00 C ATOM 852 C ILE A 88 1.276 1.979 4.767 1.00 0.00 C ATOM 853 O ILE A 88 2.020 2.917 4.470 1.00 0.00 O ATOM 854 CB ILE A 88 -0.110 1.573 2.731 1.00 0.00 C ATOM 855 CG1 ILE A 88 -1.529 1.453 2.183 1.00 0.00 C ATOM 856 CG2 ILE A 88 0.659 0.278 2.492 1.00 0.00 C ATOM 857 CD1 ILE A 88 -1.750 2.215 0.896 1.00 0.00 C ATOM 858 H ILE A 88 -0.557 4.012 3.913 1.00 0.00 H ATOM 859 N GLU A 89 1.652 0.987 5.555 1.00 0.00 N ATOM 860 CA GLU A 89 3.006 0.902 6.065 1.00 0.00 C ATOM 861 C GLU A 89 3.702 -0.323 5.496 1.00 0.00 C ATOM 862 O GLU A 89 3.230 -1.450 5.645 1.00 0.00 O ATOM 863 CB GLU A 89 3.027 0.854 7.593 1.00 0.00 C ATOM 864 CG GLU A 89 2.572 2.138 8.263 1.00 0.00 C ATOM 865 CD GLU A 89 2.570 2.022 9.771 1.00 0.00 C ATOM 866 OE1 GLU A 89 3.658 2.106 10.383 1.00 0.00 O ATOM 867 OE2 GLU A 89 1.480 1.837 10.355 1.00 0.00 O ATOM 868 H GLU A 89 0.963 0.253 5.814 1.00 0.00 H ATOM 869 N VAL A 90 4.812 -0.091 4.831 1.00 0.00 N ATOM 870 CA VAL A 90 5.587 -1.163 4.234 1.00 0.00 C ATOM 871 C VAL A 90 6.810 -1.462 5.100 1.00 0.00 C ATOM 872 O VAL A 90 7.597 -0.564 5.404 1.00 0.00 O ATOM 873 CB VAL A 90 6.011 -0.780 2.807 1.00 0.00 C ATOM 874 CG1 VAL A 90 6.987 -1.799 2.239 1.00 0.00 C ATOM 875 CG2 VAL A 90 4.774 -0.666 1.924 1.00 0.00 C ATOM 876 H VAL A 90 5.144 0.889 4.730 1.00 0.00 H ATOM 877 N TYR A 91 6.935 -2.710 5.530 1.00 0.00 N ATOM 878 CA TYR A 91 8.049 -3.133 6.373 1.00 0.00 C ATOM 879 C TYR A 91 9.167 -3.737 5.525 1.00 0.00 C ATOM 880 O TYR A 91 8.909 -4.500 4.592 1.00 0.00 O ATOM 881 CB TYR A 91 7.583 -4.184 7.382 1.00 0.00 C ATOM 882 CG TYR A 91 6.607 -3.673 8.414 1.00 0.00 C ATOM 883 CD1 TYR A 91 5.240 -3.650 8.160 1.00 0.00 C ATOM 884 CD2 TYR A 91 7.051 -3.233 9.652 1.00 0.00 C ATOM 885 CE1 TYR A 91 4.349 -3.194 9.110 1.00 0.00 C ATOM 886 CE2 TYR A 91 6.165 -2.776 10.604 1.00 0.00 C ATOM 887 CZ TYR A 91 4.817 -2.758 10.327 1.00 0.00 C ATOM 888 OH TYR A 91 3.935 -2.291 11.270 1.00 0.00 O ATOM 889 HH TYR A 91 3.013 -2.346 10.914 1.00 0.00 H ATOM 890 H TYR A 91 6.216 -3.410 5.258 1.00 0.00 H ATOM 891 N PHE A 92 10.399 -3.409 5.863 1.00 0.00 N ATOM 892 CA PHE A 92 11.560 -3.972 5.191 1.00 0.00 C ATOM 893 C PHE A 92 12.332 -4.861 6.168 1.00 0.00 C ATOM 894 O PHE A 92 12.156 -4.748 7.379 1.00 0.00 O ATOM 895 CB PHE A 92 12.463 -2.847 4.665 1.00 0.00 C ATOM 896 CG PHE A 92 11.768 -1.885 3.731 1.00 0.00 C ATOM 897 CD1 PHE A 92 10.933 -2.341 2.716 1.00 0.00 C ATOM 898 CD2 PHE A 92 11.962 -0.518 3.860 1.00 0.00 C ATOM 899 CE1 PHE A 92 10.312 -1.452 1.858 1.00 0.00 C ATOM 900 CE2 PHE A 92 11.336 0.366 3.002 1.00 0.00 C ATOM 901 CZ PHE A 92 10.514 -0.104 2.006 1.00 0.00 C ATOM 902 H PHE A 92 10.545 -2.727 6.634 1.00 0.00 H ATOM 903 N LYS A 93 13.177 -5.748 5.655 1.00 0.00 N ATOM 904 CA LYS A 93 13.938 -6.641 6.525 1.00 0.00 C ATOM 905 C LYS A 93 15.413 -6.235 6.553 1.00 0.00 C ATOM 906 O LYS A 93 16.211 -6.653 5.713 1.00 0.00 O ATOM 907 CB LYS A 93 13.773 -8.125 6.113 1.00 0.00 C ATOM 908 CG LYS A 93 14.308 -8.518 4.732 1.00 0.00 C ATOM 909 CD LYS A 93 13.387 -8.106 3.596 1.00 0.00 C ATOM 910 CE LYS A 93 12.874 -9.303 2.793 1.00 0.00 C ATOM 911 NZ LYS A 93 12.311 -10.384 3.640 1.00 0.00 N ATOM 912 HZ1 LYS A 93 13.046 -10.734 4.288 1.00 0.00 H ATOM 913 HZ2 LYS A 93 11.511 -10.011 4.190 1.00 0.00 H ATOM 914 HZ3 LYS A 93 11.983 -11.162 3.034 1.00 0.00 H ATOM 915 H LYS A 93 13.298 -5.807 4.624 1.00 0.00 H ATOM 916 N ASN A 94 15.761 -5.387 7.512 1.00 0.00 N ATOM 917 CA ASN A 94 17.120 -4.873 7.620 1.00 0.00 C ATOM 918 C ASN A 94 17.395 -4.347 9.039 1.00 0.00 C ATOM 919 O ASN A 94 16.470 -4.216 9.839 1.00 0.00 O ATOM 920 CB ASN A 94 17.321 -3.812 6.525 1.00 0.00 C ATOM 921 CG ASN A 94 18.565 -2.977 6.687 1.00 0.00 C ATOM 922 OD1 ASN A 94 18.496 -1.871 7.198 1.00 0.00 O ATOM 923 ND2 ASN A 94 19.705 -3.498 6.262 1.00 0.00 N ATOM 924 HD22 ASN A 94 19.716 -4.445 5.832 1.00 0.00 H ATOM 925 HD21 ASN A 94 20.590 -2.960 6.358 1.00 0.00 H ATOM 926 H ASN A 94 15.047 -5.082 8.203 1.00 0.00 H ATOM 927 N LYS A 95 18.664 -4.079 9.361 1.00 0.00 N ATOM 928 CA LYS A 95 19.043 -3.630 10.705 1.00 0.00 C ATOM 929 C LYS A 95 19.567 -2.193 10.711 1.00 0.00 C ATOM 930 O LYS A 95 20.068 -1.712 11.728 1.00 0.00 O ATOM 931 CB LYS A 95 20.099 -4.551 11.328 1.00 0.00 C ATOM 932 CG LYS A 95 21.412 -4.637 10.559 1.00 0.00 C ATOM 933 CD LYS A 95 21.320 -5.598 9.374 1.00 0.00 C ATOM 934 CE LYS A 95 22.680 -5.877 8.737 1.00 0.00 C ATOM 935 NZ LYS A 95 23.445 -4.634 8.473 1.00 0.00 N ATOM 936 HZ1 LYS A 95 22.904 -4.027 7.825 1.00 0.00 H ATOM 937 HZ2 LYS A 95 23.606 -4.131 9.369 1.00 0.00 H ATOM 938 HZ3 LYS A 95 24.359 -4.876 8.041 1.00 0.00 H ATOM 939 H LYS A 95 19.403 -4.192 8.639 1.00 0.00 H ATOM 940 N GLU A 96 19.436 -1.512 9.593 1.00 0.00 N ATOM 941 CA GLU A 96 19.936 -0.149 9.447 1.00 0.00 C ATOM 942 C GLU A 96 18.787 0.850 9.623 1.00 0.00 C ATOM 943 O GLU A 96 17.847 0.578 10.371 1.00 0.00 O ATOM 944 CB GLU A 96 20.600 0.043 8.070 1.00 0.00 C ATOM 945 CG GLU A 96 22.071 -0.342 8.013 1.00 0.00 C ATOM 946 CD GLU A 96 22.322 -1.786 8.375 1.00 0.00 C ATOM 947 OE1 GLU A 96 21.929 -2.678 7.599 1.00 0.00 O ATOM 948 OE2 GLU A 96 22.924 -2.039 9.440 1.00 0.00 O ATOM 949 H GLU A 96 18.959 -1.961 8.785 1.00 0.00 H ATOM 950 N GLU A 97 18.924 2.027 8.995 1.00 0.00 N ATOM 951 CA GLU A 97 17.879 3.068 8.947 1.00 0.00 C ATOM 952 C GLU A 97 16.454 2.490 8.941 1.00 0.00 C ATOM 953 O GLU A 97 16.221 1.395 8.432 1.00 0.00 O ATOM 954 CB GLU A 97 18.086 3.925 7.692 1.00 0.00 C ATOM 955 CG GLU A 97 19.344 4.777 7.724 1.00 0.00 C ATOM 956 CD GLU A 97 19.411 5.687 8.934 1.00 0.00 C ATOM 957 OE1 GLU A 97 19.955 5.261 9.978 1.00 0.00 O ATOM 958 OE2 GLU A 97 18.938 6.838 8.846 1.00 0.00 O ATOM 959 H GLU A 97 19.824 2.218 8.511 1.00 0.00 H ATOM 960 N PRO A 98 15.476 3.269 9.463 1.00 0.00 N ATOM 961 CA PRO A 98 14.113 2.796 9.761 1.00 0.00 C ATOM 962 C PRO A 98 13.513 1.934 8.655 1.00 0.00 C ATOM 963 O PRO A 98 13.295 2.396 7.532 1.00 0.00 O ATOM 964 CB PRO A 98 13.299 4.088 9.945 1.00 0.00 C ATOM 965 CG PRO A 98 14.206 5.199 9.538 1.00 0.00 C ATOM 966 CD PRO A 98 15.604 4.700 9.759 1.00 0.00 C ATOM 967 N ARG A 99 13.222 0.683 8.999 1.00 0.00 N ATOM 968 CA ARG A 99 12.797 -0.313 8.026 1.00 0.00 C ATOM 969 C ARG A 99 11.289 -0.293 7.805 1.00 0.00 C ATOM 970 O ARG A 99 10.714 -1.286 7.371 1.00 0.00 O ATOM 971 CB ARG A 99 13.221 -1.721 8.463 1.00 0.00 C ATOM 972 CG ARG A 99 14.726 -1.956 8.496 1.00 0.00 C ATOM 973 CD ARG A 99 15.391 -1.251 9.669 1.00 0.00 C ATOM 974 NE ARG A 99 14.762 -1.589 10.946 1.00 0.00 N ATOM 975 CZ ARG A 99 14.986 -0.933 12.084 1.00 0.00 C ATOM 976 NH1 ARG A 99 15.871 0.056 12.121 1.00 0.00 N ATOM 977 NH2 ARG A 99 14.339 -1.278 13.189 1.00 0.00 N ATOM 978 HE ARG A 99 14.099 -2.390 10.967 1.00 0.00 H ATOM 979 HH12 ARG A 99 16.044 0.566 13.011 1.00 0.00 H ATOM 980 HH11 ARG A 99 16.392 0.321 11.260 1.00 0.00 H ATOM 981 HH22 ARG A 99 14.515 -0.765 14.076 1.00 0.00 H ATOM 982 HH21 ARG A 99 13.656 -2.062 13.168 1.00 0.00 H ATOM 983 H ARG A 99 13.301 0.406 9.998 1.00 0.00 H ATOM 984 N LYS A 100 10.637 0.805 8.136 1.00 0.00 N ATOM 985 CA LYS A 100 9.217 0.931 7.850 1.00 0.00 C ATOM 986 C LYS A 100 8.927 2.265 7.195 1.00 0.00 C ATOM 987 O LYS A 100 9.489 3.295 7.569 1.00 0.00 O ATOM 988 CB LYS A 100 8.353 0.764 9.104 1.00 0.00 C ATOM 989 CG LYS A 100 8.730 1.709 10.235 1.00 0.00 C ATOM 990 CD LYS A 100 7.629 1.876 11.285 1.00 0.00 C ATOM 991 CE LYS A 100 6.904 0.575 11.626 1.00 0.00 C ATOM 992 NZ LYS A 100 5.655 0.394 10.831 1.00 0.00 N ATOM 993 HZ1 LYS A 100 5.006 1.184 11.023 1.00 0.00 H ATOM 994 HZ2 LYS A 100 5.890 0.375 9.818 1.00 0.00 H ATOM 995 HZ3 LYS A 100 5.201 -0.502 11.100 1.00 0.00 H ATOM 996 H LYS A 100 11.141 1.585 8.604 1.00 0.00 H ATOM 997 N VAL A 101 8.059 2.229 6.208 1.00 0.00 N ATOM 998 CA VAL A 101 7.663 3.419 5.480 1.00 0.00 C ATOM 999 C VAL A 101 6.177 3.657 5.694 1.00 0.00 C ATOM 1000 O VAL A 101 5.438 2.728 6.022 1.00 0.00 O ATOM 1001 CB VAL A 101 7.976 3.275 3.965 1.00 0.00 C ATOM 1002 CG1 VAL A 101 8.878 2.098 3.726 1.00 0.00 C ATOM 1003 CG2 VAL A 101 6.713 3.136 3.137 1.00 0.00 C ATOM 1004 H VAL A 101 7.642 1.315 5.940 1.00 0.00 H ATOM 1005 N ARG A 102 5.749 4.888 5.519 1.00 0.00 N ATOM 1006 CA ARG A 102 4.351 5.235 5.686 1.00 0.00 C ATOM 1007 C ARG A 102 3.854 6.023 4.481 1.00 0.00 C ATOM 1008 O ARG A 102 4.215 7.185 4.292 1.00 0.00 O ATOM 1009 CB ARG A 102 4.165 6.034 6.980 1.00 0.00 C ATOM 1010 CG ARG A 102 2.722 6.418 7.278 1.00 0.00 C ATOM 1011 CD ARG A 102 2.435 7.861 6.889 1.00 0.00 C ATOM 1012 NE ARG A 102 1.068 8.259 7.217 1.00 0.00 N ATOM 1013 CZ ARG A 102 0.546 9.449 6.923 1.00 0.00 C ATOM 1014 NH1 ARG A 102 1.279 10.366 6.303 1.00 0.00 N ATOM 1015 NH2 ARG A 102 -0.708 9.725 7.264 1.00 0.00 N ATOM 1016 HE ARG A 102 0.465 7.570 7.711 1.00 0.00 H ATOM 1017 HH12 ARG A 102 0.868 11.294 6.075 1.00 0.00 H ATOM 1018 HH11 ARG A 102 2.265 10.157 6.045 1.00 0.00 H ATOM 1019 HH22 ARG A 102 -1.117 10.654 7.035 1.00 0.00 H ATOM 1020 HH21 ARG A 102 -1.281 9.013 7.760 1.00 0.00 H ATOM 1021 H ARG A 102 6.429 5.630 5.255 1.00 0.00 H ATOM 1022 N PHE A 103 3.046 5.378 3.654 1.00 0.00 N ATOM 1023 CA PHE A 103 2.475 6.028 2.488 1.00 0.00 C ATOM 1024 C PHE A 103 0.981 6.278 2.697 1.00 0.00 C ATOM 1025 O PHE A 103 0.212 5.342 2.922 1.00 0.00 O ATOM 1026 CB PHE A 103 2.690 5.172 1.231 1.00 0.00 C ATOM 1027 CG PHE A 103 4.136 4.929 0.871 1.00 0.00 C ATOM 1028 CD1 PHE A 103 5.082 5.934 0.987 1.00 0.00 C ATOM 1029 CD2 PHE A 103 4.539 3.690 0.393 1.00 0.00 C ATOM 1030 CE1 PHE A 103 6.400 5.708 0.632 1.00 0.00 C ATOM 1031 CE2 PHE A 103 5.858 3.456 0.035 1.00 0.00 C ATOM 1032 CZ PHE A 103 6.790 4.471 0.154 1.00 0.00 C ATOM 1033 H PHE A 103 2.815 4.382 3.844 1.00 0.00 H ATOM 1034 N ASP A 104 0.581 7.543 2.649 1.00 0.00 N ATOM 1035 CA ASP A 104 -0.829 7.905 2.744 1.00 0.00 C ATOM 1036 C ASP A 104 -1.482 7.803 1.371 1.00 0.00 C ATOM 1037 O ASP A 104 -1.133 8.536 0.445 1.00 0.00 O ATOM 1038 CB ASP A 104 -0.999 9.320 3.320 1.00 0.00 C ATOM 1039 CG ASP A 104 -0.233 10.381 2.550 1.00 0.00 C ATOM 1040 OD1 ASP A 104 1.006 10.448 2.688 1.00 0.00 O ATOM 1041 OD2 ASP A 104 -0.867 11.155 1.802 1.00 0.00 O ATOM 1042 H ASP A 104 1.291 8.295 2.541 1.00 0.00 H ATOM 1043 N TYR A 105 -2.416 6.879 1.233 1.00 0.00 N ATOM 1044 CA TYR A 105 -3.034 6.615 -0.055 1.00 0.00 C ATOM 1045 C TYR A 105 -4.555 6.703 0.049 1.00 0.00 C ATOM 1046 O TYR A 105 -5.154 6.166 0.977 1.00 0.00 O ATOM 1047 CB TYR A 105 -2.584 5.238 -0.548 1.00 0.00 C ATOM 1048 CG TYR A 105 -3.117 4.846 -1.903 1.00 0.00 C ATOM 1049 CD1 TYR A 105 -2.748 5.539 -3.047 1.00 0.00 C ATOM 1050 CD2 TYR A 105 -3.972 3.767 -2.037 1.00 0.00 C ATOM 1051 CE1 TYR A 105 -3.225 5.168 -4.287 1.00 0.00 C ATOM 1052 CE2 TYR A 105 -4.455 3.387 -3.269 1.00 0.00 C ATOM 1053 CZ TYR A 105 -4.080 4.091 -4.395 1.00 0.00 C ATOM 1054 OH TYR A 105 -4.571 3.722 -5.633 1.00 0.00 O ATOM 1055 HH TYR A 105 -5.559 3.785 -5.627 1.00 0.00 H ATOM 1056 H TYR A 105 -2.715 6.329 2.064 1.00 0.00 H ATOM 1057 N ASP A 106 -5.172 7.395 -0.899 1.00 0.00 N ATOM 1058 CA ASP A 106 -6.615 7.618 -0.872 1.00 0.00 C ATOM 1059 C ASP A 106 -7.351 6.482 -1.570 1.00 0.00 C ATOM 1060 O ASP A 106 -7.183 6.264 -2.772 1.00 0.00 O ATOM 1061 CB ASP A 106 -6.958 8.949 -1.551 1.00 0.00 C ATOM 1062 CG ASP A 106 -8.408 9.356 -1.355 1.00 0.00 C ATOM 1063 OD1 ASP A 106 -8.710 10.007 -0.334 1.00 0.00 O ATOM 1064 OD2 ASP A 106 -9.254 9.044 -2.223 1.00 0.00 O ATOM 1065 H ASP A 106 -4.613 7.789 -1.683 1.00 0.00 H ATOM 1066 N LEU A 107 -8.153 5.747 -0.820 1.00 0.00 N ATOM 1067 CA LEU A 107 -8.962 4.691 -1.400 1.00 0.00 C ATOM 1068 C LEU A 107 -10.300 5.254 -1.853 1.00 0.00 C ATOM 1069 O LEU A 107 -11.226 5.389 -1.058 1.00 0.00 O ATOM 1070 CB LEU A 107 -9.182 3.549 -0.400 1.00 0.00 C ATOM 1071 CG LEU A 107 -8.375 2.287 -0.676 1.00 0.00 C ATOM 1072 CD1 LEU A 107 -6.916 2.496 -0.329 1.00 0.00 C ATOM 1073 CD2 LEU A 107 -8.949 1.109 0.084 1.00 0.00 C ATOM 1074 H LEU A 107 -8.205 5.928 0.203 1.00 0.00 H ATOM 1075 N PHE A 108 -10.390 5.611 -3.126 1.00 0.00 N ATOM 1076 CA PHE A 108 -11.624 6.177 -3.661 1.00 0.00 C ATOM 1077 C PHE A 108 -12.381 5.164 -4.519 1.00 0.00 C ATOM 1078 O PHE A 108 -11.794 4.224 -5.069 1.00 0.00 O ATOM 1079 CB PHE A 108 -11.355 7.480 -4.434 1.00 0.00 C ATOM 1080 CG PHE A 108 -10.467 7.350 -5.642 1.00 0.00 C ATOM 1081 CD1 PHE A 108 -9.115 7.080 -5.506 1.00 0.00 C ATOM 1082 CD2 PHE A 108 -10.985 7.524 -6.915 1.00 0.00 C ATOM 1083 CE1 PHE A 108 -8.299 6.981 -6.615 1.00 0.00 C ATOM 1084 CE2 PHE A 108 -10.173 7.430 -8.027 1.00 0.00 C ATOM 1085 CZ PHE A 108 -8.828 7.158 -7.877 1.00 0.00 C ATOM 1086 H PHE A 108 -9.569 5.486 -3.753 1.00 0.00 H ATOM 1087 N LEU A 109 -13.691 5.373 -4.610 1.00 0.00 N ATOM 1088 CA LEU A 109 -14.617 4.445 -5.255 1.00 0.00 C ATOM 1089 C LEU A 109 -15.606 5.238 -6.098 1.00 0.00 C ATOM 1090 O LEU A 109 -15.745 6.448 -5.930 1.00 0.00 O ATOM 1091 CB LEU A 109 -15.398 3.665 -4.186 1.00 0.00 C ATOM 1092 CG LEU A 109 -14.576 3.119 -3.014 1.00 0.00 C ATOM 1093 CD1 LEU A 109 -15.494 2.620 -1.912 1.00 0.00 C ATOM 1094 CD2 LEU A 109 -13.648 2.007 -3.470 1.00 0.00 C ATOM 1095 H LEU A 109 -14.078 6.246 -4.199 1.00 0.00 H ATOM 1096 N HIS A 110 -16.284 4.547 -6.995 1.00 0.00 N ATOM 1097 CA HIS A 110 -17.293 5.164 -7.851 1.00 0.00 C ATOM 1098 C HIS A 110 -18.691 4.896 -7.308 1.00 0.00 C ATOM 1099 O HIS A 110 -18.861 4.052 -6.439 1.00 0.00 O ATOM 1100 CB HIS A 110 -17.183 4.600 -9.266 1.00 0.00 C ATOM 1101 CG HIS A 110 -17.322 3.104 -9.338 1.00 0.00 C ATOM 1102 ND1 HIS A 110 -16.246 2.257 -9.429 1.00 0.00 N ATOM 1103 CD2 HIS A 110 -18.418 2.310 -9.363 1.00 0.00 C ATOM 1104 CE1 HIS A 110 -16.674 1.010 -9.514 1.00 0.00 C ATOM 1105 NE2 HIS A 110 -17.991 1.010 -9.477 1.00 0.00 N ATOM 1106 H HIS A 110 -16.093 3.530 -7.095 1.00 0.00 H ATOM 1107 N LEU A 111 -19.684 5.596 -7.833 1.00 0.00 N ATOM 1108 CA LEU A 111 -21.078 5.326 -7.489 1.00 0.00 C ATOM 1109 C LEU A 111 -21.505 3.969 -8.045 1.00 0.00 C ATOM 1110 O LEU A 111 -21.017 3.545 -9.094 1.00 0.00 O ATOM 1111 CB LEU A 111 -21.981 6.425 -8.048 1.00 0.00 C ATOM 1112 CG LEU A 111 -22.604 7.379 -7.021 1.00 0.00 C ATOM 1113 CD1 LEU A 111 -23.565 6.643 -6.101 1.00 0.00 C ATOM 1114 CD2 LEU A 111 -21.522 8.062 -6.206 1.00 0.00 C ATOM 1115 H LEU A 111 -19.467 6.357 -8.507 1.00 0.00 H ATOM 1116 N GLU A 112 -22.393 3.290 -7.324 1.00 0.00 N ATOM 1117 CA GLU A 112 -22.912 1.985 -7.731 1.00 0.00 C ATOM 1118 C GLU A 112 -23.506 2.064 -9.142 1.00 0.00 C ATOM 1119 O GLU A 112 -24.626 2.542 -9.326 1.00 0.00 O ATOM 1120 CB GLU A 112 -23.984 1.541 -6.725 1.00 0.00 C ATOM 1121 CG GLU A 112 -24.390 0.075 -6.804 1.00 0.00 C ATOM 1122 CD GLU A 112 -25.838 -0.124 -6.417 1.00 0.00 C ATOM 1123 OE1 GLU A 112 -26.152 -0.060 -5.211 1.00 0.00 O ATOM 1124 OE2 GLU A 112 -26.673 -0.323 -7.321 1.00 0.00 O ATOM 1125 H GLU A 112 -22.733 3.705 -6.433 1.00 0.00 H ATOM 1126 N GLY A 113 -22.744 1.604 -10.133 1.00 0.00 N ATOM 1127 CA GLY A 113 -23.194 1.664 -11.512 1.00 0.00 C ATOM 1128 C GLY A 113 -22.472 2.730 -12.323 1.00 0.00 C ATOM 1129 O GLY A 113 -23.043 3.307 -13.250 1.00 0.00 O ATOM 1130 H GLY A 113 -21.813 1.196 -9.916 1.00 0.00 H ATOM 1131 N HIS A 114 -21.221 2.999 -11.966 1.00 0.00 N ATOM 1132 CA HIS A 114 -20.400 3.989 -12.665 1.00 0.00 C ATOM 1133 C HIS A 114 -18.986 3.430 -12.901 1.00 0.00 C ATOM 1134 O HIS A 114 -18.577 2.528 -12.177 1.00 0.00 O ATOM 1135 CB HIS A 114 -20.361 5.293 -11.840 1.00 0.00 C ATOM 1136 CG HIS A 114 -21.560 6.168 -12.058 1.00 0.00 C ATOM 1137 ND1 HIS A 114 -21.584 7.203 -12.968 1.00 0.00 N ATOM 1138 CD2 HIS A 114 -22.786 6.151 -11.483 1.00 0.00 C ATOM 1139 CE1 HIS A 114 -22.770 7.782 -12.942 1.00 0.00 C ATOM 1140 NE2 HIS A 114 -23.519 7.163 -12.050 1.00 0.00 N ATOM 1141 H HIS A 114 -20.810 2.487 -11.160 1.00 0.00 H ATOM 1142 N PRO A 115 -18.255 3.889 -13.953 1.00 0.00 N ATOM 1143 CA PRO A 115 -16.847 3.537 -14.197 1.00 0.00 C ATOM 1144 C PRO A 115 -16.037 3.186 -12.935 1.00 0.00 C ATOM 1145 O PRO A 115 -15.999 3.952 -11.973 1.00 0.00 O ATOM 1146 CB PRO A 115 -16.323 4.842 -14.814 1.00 0.00 C ATOM 1147 CG PRO A 115 -17.473 5.373 -15.611 1.00 0.00 C ATOM 1148 CD PRO A 115 -18.739 4.745 -15.059 1.00 0.00 C ATOM 1149 N PRO A 116 -15.368 2.015 -12.944 1.00 0.00 N ATOM 1150 CA PRO A 116 -14.533 1.547 -11.838 1.00 0.00 C ATOM 1151 C PRO A 116 -13.294 2.407 -11.640 1.00 0.00 C ATOM 1152 O PRO A 116 -13.069 3.381 -12.359 1.00 0.00 O ATOM 1153 CB PRO A 116 -14.138 0.126 -12.246 1.00 0.00 C ATOM 1154 CG PRO A 116 -14.261 0.111 -13.723 1.00 0.00 C ATOM 1155 CD PRO A 116 -15.373 1.064 -14.052 1.00 0.00 C ATOM 1156 N VAL A 117 -12.483 2.032 -10.669 1.00 0.00 N ATOM 1157 CA VAL A 117 -11.354 2.849 -10.266 1.00 0.00 C ATOM 1158 C VAL A 117 -10.059 2.068 -10.398 1.00 0.00 C ATOM 1159 O VAL A 117 -9.941 0.968 -9.866 1.00 0.00 O ATOM 1160 CB VAL A 117 -11.502 3.326 -8.807 1.00 0.00 C ATOM 1161 CG1 VAL A 117 -10.324 4.193 -8.401 1.00 0.00 C ATOM 1162 CG2 VAL A 117 -12.809 4.085 -8.611 1.00 0.00 C ATOM 1163 H VAL A 117 -12.657 1.130 -10.181 1.00 0.00 H ATOM 1164 N ASN A 118 -9.098 2.637 -11.105 1.00 0.00 N ATOM 1165 CA ASN A 118 -7.799 2.006 -11.266 1.00 0.00 C ATOM 1166 C ASN A 118 -6.703 3.055 -11.130 1.00 0.00 C ATOM 1167 O ASN A 118 -6.378 3.753 -12.091 1.00 0.00 O ATOM 1168 CB ASN A 118 -7.710 1.333 -12.638 1.00 0.00 C ATOM 1169 CG ASN A 118 -6.641 0.252 -12.700 1.00 0.00 C ATOM 1170 OD1 ASN A 118 -6.950 -0.934 -12.602 1.00 0.00 O ATOM 1171 ND2 ASN A 118 -5.379 0.639 -12.834 1.00 0.00 N ATOM 1172 HD22 ASN A 118 -5.151 1.651 -12.914 1.00 0.00 H ATOM 1173 HD21 ASN A 118 -4.618 -0.069 -12.859 1.00 0.00 H ATOM 1174 H ASN A 118 -9.276 3.557 -11.556 1.00 0.00 H ATOM 1175 N HIS A 119 -6.134 3.166 -9.939 1.00 0.00 N ATOM 1176 CA HIS A 119 -5.132 4.191 -9.672 1.00 0.00 C ATOM 1177 C HIS A 119 -3.829 3.565 -9.207 1.00 0.00 C ATOM 1178 O HIS A 119 -3.811 2.800 -8.243 1.00 0.00 O ATOM 1179 CB HIS A 119 -5.636 5.166 -8.608 1.00 0.00 C ATOM 1180 CG HIS A 119 -4.716 6.327 -8.361 1.00 0.00 C ATOM 1181 ND1 HIS A 119 -4.285 6.688 -7.104 1.00 0.00 N ATOM 1182 CD2 HIS A 119 -4.144 7.206 -9.217 1.00 0.00 C ATOM 1183 CE1 HIS A 119 -3.488 7.735 -7.198 1.00 0.00 C ATOM 1184 NE2 HIS A 119 -3.384 8.070 -8.469 1.00 0.00 N ATOM 1185 H HIS A 119 -6.407 2.510 -9.180 1.00 0.00 H ATOM 1186 N LEU A 120 -2.750 3.905 -9.891 1.00 0.00 N ATOM 1187 CA LEU A 120 -1.423 3.426 -9.534 1.00 0.00 C ATOM 1188 C LEU A 120 -0.562 4.592 -9.057 1.00 0.00 C ATOM 1189 O LEU A 120 -0.767 5.732 -9.475 1.00 0.00 O ATOM 1190 CB LEU A 120 -0.757 2.741 -10.721 1.00 0.00 C ATOM 1191 CG LEU A 120 -1.494 1.529 -11.291 1.00 0.00 C ATOM 1192 CD1 LEU A 120 -0.520 0.668 -12.055 1.00 0.00 C ATOM 1193 CD2 LEU A 120 -2.152 0.719 -10.190 1.00 0.00 C ATOM 1194 H LEU A 120 -2.853 4.536 -10.711 1.00 0.00 H ATOM 1195 N ARG A 121 0.380 4.309 -8.174 1.00 0.00 N ATOM 1196 CA ARG A 121 1.265 5.331 -7.625 1.00 0.00 C ATOM 1197 C ARG A 121 2.648 4.741 -7.397 1.00 0.00 C ATOM 1198 O ARG A 121 2.768 3.591 -6.994 1.00 0.00 O ATOM 1199 CB ARG A 121 0.684 5.843 -6.308 1.00 0.00 C ATOM 1200 CG ARG A 121 1.600 6.758 -5.508 1.00 0.00 C ATOM 1201 CD ARG A 121 1.149 6.839 -4.064 1.00 0.00 C ATOM 1202 NE ARG A 121 1.929 7.798 -3.287 1.00 0.00 N ATOM 1203 CZ ARG A 121 1.433 8.528 -2.288 1.00 0.00 C ATOM 1204 NH1 ARG A 121 0.131 8.529 -2.042 1.00 0.00 N ATOM 1205 NH2 ARG A 121 2.242 9.289 -1.564 1.00 0.00 N ATOM 1206 HE ARG A 121 2.933 7.919 -3.528 1.00 0.00 H ATOM 1207 HH12 ARG A 121 -0.250 9.101 -1.261 1.00 0.00 H ATOM 1208 HH11 ARG A 121 -0.510 7.958 -2.630 1.00 0.00 H ATOM 1209 HH22 ARG A 121 1.859 9.860 -0.784 1.00 0.00 H ATOM 1210 HH21 ARG A 121 3.260 9.315 -1.776 1.00 0.00 H ATOM 1211 H ARG A 121 0.494 3.324 -7.860 1.00 0.00 H ATOM 1212 N CYS A 122 3.686 5.523 -7.643 1.00 0.00 N ATOM 1213 CA CYS A 122 5.049 5.025 -7.519 1.00 0.00 C ATOM 1214 C CYS A 122 5.898 5.950 -6.648 1.00 0.00 C ATOM 1215 O CYS A 122 6.132 7.106 -6.996 1.00 0.00 O ATOM 1216 CB CYS A 122 5.670 4.867 -8.907 1.00 0.00 C ATOM 1217 SG CYS A 122 4.719 3.804 -10.020 1.00 0.00 S ATOM 1218 H CYS A 122 3.526 6.510 -7.930 1.00 0.00 H ATOM 1219 N GLU A 123 6.350 5.424 -5.517 1.00 0.00 N ATOM 1220 CA GLU A 123 7.103 6.196 -4.536 1.00 0.00 C ATOM 1221 C GLU A 123 8.551 5.735 -4.463 1.00 0.00 C ATOM 1222 O GLU A 123 8.827 4.538 -4.427 1.00 0.00 O ATOM 1223 CB GLU A 123 6.449 6.036 -3.173 1.00 0.00 C ATOM 1224 CG GLU A 123 5.029 6.554 -3.143 1.00 0.00 C ATOM 1225 CD GLU A 123 4.945 7.963 -2.603 1.00 0.00 C ATOM 1226 OE1 GLU A 123 5.334 8.194 -1.445 1.00 0.00 O ATOM 1227 OE2 GLU A 123 4.485 8.857 -3.342 1.00 0.00 O ATOM 1228 H GLU A 123 6.159 4.420 -5.322 1.00 0.00 H ATOM 1229 N LYS A 124 9.469 6.686 -4.437 1.00 0.00 N ATOM 1230 CA LYS A 124 10.885 6.377 -4.375 1.00 0.00 C ATOM 1231 C LYS A 124 11.379 6.295 -2.932 1.00 0.00 C ATOM 1232 O LYS A 124 11.032 7.126 -2.090 1.00 0.00 O ATOM 1233 CB LYS A 124 11.673 7.450 -5.128 1.00 0.00 C ATOM 1234 CG LYS A 124 13.157 7.144 -5.307 1.00 0.00 C ATOM 1235 CD LYS A 124 13.919 8.335 -5.869 1.00 0.00 C ATOM 1236 CE LYS A 124 13.461 8.671 -7.278 1.00 0.00 C ATOM 1237 NZ LYS A 124 12.325 9.634 -7.294 1.00 0.00 N ATOM 1238 HZ1 LYS A 124 11.517 9.224 -6.783 1.00 0.00 H ATOM 1239 HZ2 LYS A 124 12.616 10.519 -6.832 1.00 0.00 H ATOM 1240 HZ3 LYS A 124 12.052 9.829 -8.278 1.00 0.00 H ATOM 1241 H LYS A 124 9.168 7.681 -4.462 1.00 0.00 H ATOM 1242 N LEU A 125 12.182 5.280 -2.669 1.00 0.00 N ATOM 1243 CA LEU A 125 12.882 5.135 -1.403 1.00 0.00 C ATOM 1244 C LEU A 125 14.354 5.445 -1.635 1.00 0.00 C ATOM 1245 O LEU A 125 14.977 4.839 -2.502 1.00 0.00 O ATOM 1246 CB LEU A 125 12.776 3.698 -0.891 1.00 0.00 C ATOM 1247 CG LEU A 125 11.377 3.141 -0.650 1.00 0.00 C ATOM 1248 CD1 LEU A 125 11.420 1.640 -0.850 1.00 0.00 C ATOM 1249 CD2 LEU A 125 10.885 3.456 0.760 1.00 0.00 C ATOM 1250 H LEU A 125 12.320 4.553 -3.399 1.00 0.00 H ATOM 1251 N THR A 126 14.916 6.376 -0.897 1.00 0.00 N ATOM 1252 CA THR A 126 16.320 6.697 -1.072 1.00 0.00 C ATOM 1253 C THR A 126 17.100 6.476 0.216 1.00 0.00 C ATOM 1254 O THR A 126 16.764 7.027 1.263 1.00 0.00 O ATOM 1255 CB THR A 126 16.508 8.142 -1.560 1.00 0.00 C ATOM 1256 OG1 THR A 126 15.650 8.383 -2.685 1.00 0.00 O ATOM 1257 CG2 THR A 126 17.953 8.381 -1.964 1.00 0.00 C ATOM 1258 HG1 THR A 126 15.772 9.314 -2.998 1.00 0.00 H ATOM 1259 H THR A 126 14.353 6.884 -0.186 1.00 0.00 H ATOM 1260 N PHE A 127 18.137 5.656 0.127 1.00 0.00 N ATOM 1261 CA PHE A 127 18.929 5.286 1.289 1.00 0.00 C ATOM 1262 C PHE A 127 20.382 5.687 1.095 1.00 0.00 C ATOM 1263 O PHE A 127 21.076 5.142 0.235 1.00 0.00 O ATOM 1264 CB PHE A 127 18.812 3.781 1.537 1.00 0.00 C ATOM 1265 CG PHE A 127 17.393 3.339 1.783 1.00 0.00 C ATOM 1266 CD1 PHE A 127 16.598 3.975 2.733 1.00 0.00 C ATOM 1267 CD2 PHE A 127 16.845 2.300 1.045 1.00 0.00 C ATOM 1268 CE1 PHE A 127 15.293 3.584 2.936 1.00 0.00 C ATOM 1269 CE2 PHE A 127 15.539 1.900 1.247 1.00 0.00 C ATOM 1270 CZ PHE A 127 14.756 2.538 2.188 1.00 0.00 C ATOM 1271 H PHE A 127 18.392 5.265 -0.802 1.00 0.00 H ATOM 1272 N ASN A 128 20.833 6.645 1.889 1.00 0.00 N ATOM 1273 CA ASN A 128 22.192 7.155 1.777 1.00 0.00 C ATOM 1274 C ASN A 128 23.166 6.298 2.581 1.00 0.00 C ATOM 1275 O ASN A 128 22.941 6.023 3.760 1.00 0.00 O ATOM 1276 CB ASN A 128 22.256 8.621 2.231 1.00 0.00 C ATOM 1277 CG ASN A 128 21.790 8.826 3.663 1.00 0.00 C ATOM 1278 OD1 ASN A 128 20.595 8.971 3.925 1.00 0.00 O ATOM 1279 ND2 ASN A 128 22.728 8.871 4.596 1.00 0.00 N ATOM 1280 HD22 ASN A 128 23.727 8.744 4.336 1.00 0.00 H ATOM 1281 HD21 ASN A 128 22.466 9.033 5.589 1.00 0.00 H ATOM 1282 H ASN A 128 20.200 7.044 2.612 1.00 0.00 H ATOM 1283 N ASN A 129 24.232 5.863 1.914 1.00 0.00 N ATOM 1284 CA ASN A 129 25.293 5.053 2.529 1.00 0.00 C ATOM 1285 C ASN A 129 24.755 3.765 3.162 1.00 0.00 C ATOM 1286 O ASN A 129 24.941 3.531 4.358 1.00 0.00 O ATOM 1287 CB ASN A 129 26.062 5.863 3.580 1.00 0.00 C ATOM 1288 CG ASN A 129 26.828 7.030 2.970 1.00 0.00 C ATOM 1289 OD1 ASN A 129 27.409 6.894 1.893 1.00 0.00 O ATOM 1290 ND2 ASN A 129 26.797 8.204 3.609 1.00 0.00 N ATOM 1291 HD22 ASN A 129 26.298 8.288 4.518 1.00 0.00 H ATOM 1292 HD21 ASN A 129 27.272 9.033 3.197 1.00 0.00 H ATOM 1293 H ASN A 129 24.319 6.108 0.907 1.00 0.00 H ATOM 1294 N PRO A 130 24.088 2.902 2.376 1.00 0.00 N ATOM 1295 CA PRO A 130 23.586 1.623 2.867 1.00 0.00 C ATOM 1296 C PRO A 130 24.658 0.543 2.822 1.00 0.00 C ATOM 1297 O PRO A 130 25.701 0.710 2.180 1.00 0.00 O ATOM 1298 CB PRO A 130 22.474 1.297 1.876 1.00 0.00 C ATOM 1299 CG PRO A 130 22.945 1.886 0.591 1.00 0.00 C ATOM 1300 CD PRO A 130 23.772 3.093 0.948 1.00 0.00 C ATOM 1301 N THR A 131 24.401 -0.561 3.498 1.00 0.00 N ATOM 1302 CA THR A 131 25.306 -1.688 3.469 1.00 0.00 C ATOM 1303 C THR A 131 25.212 -2.391 2.117 1.00 0.00 C ATOM 1304 O THR A 131 24.137 -2.419 1.513 1.00 0.00 O ATOM 1305 CB THR A 131 24.991 -2.675 4.608 1.00 0.00 C ATOM 1306 OG1 THR A 131 23.610 -3.047 4.570 1.00 0.00 O ATOM 1307 CG2 THR A 131 25.308 -2.069 5.954 1.00 0.00 C ATOM 1308 HG1 THR A 131 23.409 -3.478 3.702 1.00 0.00 H ATOM 1309 H THR A 131 23.530 -0.621 4.063 1.00 0.00 H ATOM 1310 N GLU A 132 26.323 -2.916 1.618 1.00 0.00 N ATOM 1311 CA GLU A 132 26.333 -3.554 0.299 1.00 0.00 C ATOM 1312 C GLU A 132 25.269 -4.647 0.197 1.00 0.00 C ATOM 1313 O GLU A 132 24.567 -4.735 -0.812 1.00 0.00 O ATOM 1314 CB GLU A 132 27.716 -4.121 -0.028 1.00 0.00 C ATOM 1315 CG GLU A 132 27.867 -4.570 -1.476 1.00 0.00 C ATOM 1316 CD GLU A 132 27.454 -6.011 -1.694 1.00 0.00 C ATOM 1317 OE1 GLU A 132 28.034 -6.899 -1.033 1.00 0.00 O ATOM 1318 OE2 GLU A 132 26.564 -6.264 -2.528 1.00 0.00 O ATOM 1319 H GLU A 132 27.202 -2.874 2.172 1.00 0.00 H ATOM 1320 N ASP A 133 25.128 -5.457 1.247 1.00 0.00 N ATOM 1321 CA ASP A 133 24.132 -6.528 1.254 1.00 0.00 C ATOM 1322 C ASP A 133 22.744 -5.957 1.019 1.00 0.00 C ATOM 1323 O ASP A 133 21.907 -6.592 0.380 1.00 0.00 O ATOM 1324 CB ASP A 133 24.146 -7.310 2.577 1.00 0.00 C ATOM 1325 CG ASP A 133 23.452 -6.586 3.717 1.00 0.00 C ATOM 1326 OD1 ASP A 133 24.014 -5.599 4.227 1.00 0.00 O ATOM 1327 OD2 ASP A 133 22.345 -7.016 4.116 1.00 0.00 O ATOM 1328 H ASP A 133 25.739 -5.324 2.078 1.00 0.00 H ATOM 1329 N PHE A 134 22.514 -4.744 1.504 1.00 0.00 N ATOM 1330 CA PHE A 134 21.220 -4.114 1.347 1.00 0.00 C ATOM 1331 C PHE A 134 21.060 -3.617 -0.076 1.00 0.00 C ATOM 1332 O PHE A 134 19.991 -3.747 -0.668 1.00 0.00 O ATOM 1333 CB PHE A 134 21.033 -2.964 2.334 1.00 0.00 C ATOM 1334 CG PHE A 134 19.589 -2.621 2.525 1.00 0.00 C ATOM 1335 CD1 PHE A 134 18.720 -3.590 2.971 1.00 0.00 C ATOM 1336 CD2 PHE A 134 19.101 -1.353 2.261 1.00 0.00 C ATOM 1337 CE1 PHE A 134 17.385 -3.318 3.151 1.00 0.00 C ATOM 1338 CE2 PHE A 134 17.762 -1.063 2.439 1.00 0.00 C ATOM 1339 CZ PHE A 134 16.898 -2.045 2.883 1.00 0.00 C ATOM 1340 H PHE A 134 23.273 -4.239 2.004 1.00 0.00 H ATOM 1341 N ARG A 135 22.135 -3.062 -0.627 1.00 0.00 N ATOM 1342 CA ARG A 135 22.150 -2.666 -2.027 1.00 0.00 C ATOM 1343 C ARG A 135 21.826 -3.872 -2.896 1.00 0.00 C ATOM 1344 O ARG A 135 21.010 -3.798 -3.807 1.00 0.00 O ATOM 1345 CB ARG A 135 23.517 -2.104 -2.429 1.00 0.00 C ATOM 1346 CG ARG A 135 23.587 -1.727 -3.901 1.00 0.00 C ATOM 1347 CD ARG A 135 25.006 -1.435 -4.350 1.00 0.00 C ATOM 1348 NE ARG A 135 25.583 -0.284 -3.654 1.00 0.00 N ATOM 1349 CZ ARG A 135 26.822 -0.248 -3.161 1.00 0.00 C ATOM 1350 NH1 ARG A 135 27.640 -1.284 -3.318 1.00 0.00 N ATOM 1351 NH2 ARG A 135 27.249 0.838 -2.528 1.00 0.00 N ATOM 1352 HE ARG A 135 24.988 0.561 -3.536 1.00 0.00 H ATOM 1353 HH12 ARG A 135 28.605 -1.248 -2.931 1.00 0.00 H ATOM 1354 HH11 ARG A 135 27.315 -2.130 -3.828 1.00 0.00 H ATOM 1355 HH22 ARG A 135 28.214 0.869 -2.142 1.00 0.00 H ATOM 1356 HH21 ARG A 135 26.618 1.657 -2.418 1.00 0.00 H ATOM 1357 H ARG A 135 22.983 -2.908 -0.045 1.00 0.00 H ATOM 1358 N ARG A 136 22.463 -4.983 -2.570 1.00 0.00 N ATOM 1359 CA ARG A 136 22.279 -6.240 -3.277 1.00 0.00 C ATOM 1360 C ARG A 136 20.807 -6.663 -3.288 1.00 0.00 C ATOM 1361 O ARG A 136 20.322 -7.240 -4.262 1.00 0.00 O ATOM 1362 CB ARG A 136 23.155 -7.302 -2.610 1.00 0.00 C ATOM 1363 CG ARG A 136 23.082 -8.672 -3.237 1.00 0.00 C ATOM 1364 CD ARG A 136 23.978 -9.624 -2.480 1.00 0.00 C ATOM 1365 NE ARG A 136 23.959 -10.977 -3.031 1.00 0.00 N ATOM 1366 CZ ARG A 136 24.576 -12.015 -2.470 1.00 0.00 C ATOM 1367 NH1 ARG A 136 25.219 -11.869 -1.320 1.00 0.00 N ATOM 1368 NH2 ARG A 136 24.550 -13.201 -3.062 1.00 0.00 N ATOM 1369 HE ARG A 136 23.433 -11.139 -3.913 1.00 0.00 H ATOM 1370 HH12 ARG A 136 25.699 -12.683 -0.886 1.00 0.00 H ATOM 1371 HH11 ARG A 136 25.243 -10.941 -0.852 1.00 0.00 H ATOM 1372 HH22 ARG A 136 25.032 -14.012 -2.624 1.00 0.00 H ATOM 1373 HH21 ARG A 136 24.048 -13.321 -3.965 1.00 0.00 H ATOM 1374 H ARG A 136 23.127 -4.957 -1.770 1.00 0.00 H ATOM 1375 N LYS A 137 20.100 -6.365 -2.208 1.00 0.00 N ATOM 1376 CA LYS A 137 18.670 -6.647 -2.128 1.00 0.00 C ATOM 1377 C LYS A 137 17.873 -5.646 -2.958 1.00 0.00 C ATOM 1378 O LYS A 137 16.938 -6.023 -3.670 1.00 0.00 O ATOM 1379 CB LYS A 137 18.217 -6.620 -0.669 1.00 0.00 C ATOM 1380 CG LYS A 137 19.061 -7.536 0.198 1.00 0.00 C ATOM 1381 CD LYS A 137 18.952 -7.219 1.679 1.00 0.00 C ATOM 1382 CE LYS A 137 17.664 -7.734 2.289 1.00 0.00 C ATOM 1383 NZ LYS A 137 17.784 -7.860 3.766 1.00 0.00 N ATOM 1384 HZ1 LYS A 137 18.550 -8.525 3.995 1.00 0.00 H ATOM 1385 HZ2 LYS A 137 17.998 -6.928 4.176 1.00 0.00 H ATOM 1386 HZ3 LYS A 137 16.888 -8.215 4.156 1.00 0.00 H ATOM 1387 H LYS A 137 20.575 -5.919 -1.397 1.00 0.00 H ATOM 1388 N LEU A 138 18.269 -4.379 -2.888 1.00 0.00 N ATOM 1389 CA LEU A 138 17.580 -3.320 -3.609 1.00 0.00 C ATOM 1390 C LEU A 138 17.803 -3.458 -5.118 1.00 0.00 C ATOM 1391 O LEU A 138 16.975 -3.025 -5.918 1.00 0.00 O ATOM 1392 CB LEU A 138 18.061 -1.938 -3.132 1.00 0.00 C ATOM 1393 CG LEU A 138 18.031 -1.690 -1.613 1.00 0.00 C ATOM 1394 CD1 LEU A 138 18.429 -0.257 -1.302 1.00 0.00 C ATOM 1395 CD2 LEU A 138 16.660 -1.999 -1.029 1.00 0.00 C ATOM 1396 H LEU A 138 19.094 -4.138 -2.302 1.00 0.00 H ATOM 1397 N LEU A 139 18.926 -4.061 -5.501 1.00 0.00 N ATOM 1398 CA LEU A 139 19.250 -4.258 -6.910 1.00 0.00 C ATOM 1399 C LEU A 139 18.579 -5.516 -7.453 1.00 0.00 C ATOM 1400 O LEU A 139 18.155 -5.555 -8.608 1.00 0.00 O ATOM 1401 CB LEU A 139 20.768 -4.362 -7.116 1.00 0.00 C ATOM 1402 CG LEU A 139 21.596 -3.167 -6.632 1.00 0.00 C ATOM 1403 CD1 LEU A 139 23.047 -3.306 -7.060 1.00 0.00 C ATOM 1404 CD2 LEU A 139 21.014 -1.860 -7.135 1.00 0.00 C ATOM 1405 H LEU A 139 19.590 -4.401 -4.777 1.00 0.00 H ATOM 1406 N LYS A 140 18.484 -6.541 -6.614 1.00 0.00 N ATOM 1407 CA LYS A 140 17.940 -7.824 -7.038 1.00 0.00 C ATOM 1408 C LYS A 140 16.438 -7.747 -7.282 1.00 0.00 C ATOM 1409 O LYS A 140 15.901 -8.478 -8.117 1.00 0.00 O ATOM 1410 CB LYS A 140 18.256 -8.914 -6.017 1.00 0.00 C ATOM 1411 CG LYS A 140 17.626 -10.250 -6.368 1.00 0.00 C ATOM 1412 CD LYS A 140 18.523 -11.465 -6.057 1.00 0.00 C ATOM 1413 CE LYS A 140 18.935 -11.639 -4.589 1.00 0.00 C ATOM 1414 NZ LYS A 140 19.789 -10.528 -4.085 1.00 0.00 N ATOM 1415 HZ1 LYS A 140 20.659 -10.476 -4.653 1.00 0.00 H ATOM 1416 HZ2 LYS A 140 19.269 -9.630 -4.162 1.00 0.00 H ATOM 1417 HZ3 LYS A 140 20.033 -10.704 -3.089 1.00 0.00 H ATOM 1418 H LYS A 140 18.805 -6.425 -5.632 1.00 0.00 H ATOM 1419 N ALA A 141 15.765 -6.877 -6.549 1.00 0.00 N ATOM 1420 CA ALA A 141 14.336 -6.668 -6.747 1.00 0.00 C ATOM 1421 C ALA A 141 14.076 -6.032 -8.109 1.00 0.00 C ATOM 1422 O ALA A 141 14.234 -4.799 -8.232 1.00 0.00 O ATOM 1423 CB ALA A 141 13.759 -5.807 -5.635 1.00 0.00 C ATOM 1424 OXT ALA A 141 13.740 -6.771 -9.060 1.00 0.00 O ATOM 1425 H ALA A 141 16.264 -6.332 -5.818 1.00 0.00 H TER 1426 ALA A 141 HETATM 1427 N GLY A 1 -16.680 17.004 -3.465 1.00 0.24 N HETATM 1428 CA GLY A 1 -16.578 16.851 -4.936 1.00 0.05 C HETATM 1429 C GLY A 1 -17.743 16.074 -5.507 1.00 0.22 C HETATM 1430 O GLY A 1 -18.901 16.391 -5.230 1.00 -0.39 O HETATM 1431 N GLY A 1 -17.440 15.054 -6.295 1.00 -0.26 N HETATM 1432 CA GLY A 1 -18.475 14.246 -6.900 1.00 0.12 C HETATM 1433 C GLY A 1 -18.028 12.815 -7.114 1.00 0.20 C HETATM 1434 O GLY A 1 -17.620 12.440 -8.215 1.00 -0.39 O HETATM 1435 N GLY A 1 -18.085 12.021 -6.056 1.00 -0.26 N HETATM 1436 CA GLY A 1 -17.720 10.614 -6.128 1.00 0.13 C HETATM 1437 C GLY A 1 -18.532 9.820 -5.110 1.00 0.20 C HETATM 1438 O GLY A 1 -19.489 10.346 -4.536 1.00 -0.39 O HETATM 1439 N GLY A 1 -18.153 8.565 -4.888 1.00 -0.26 N HETATM 1440 CA GLY A 1 -18.833 7.716 -3.915 1.00 0.13 C HETATM 1441 C GLY A 1 -18.774 8.326 -2.516 1.00 0.21 C HETATM 1442 O GLY A 1 -17.938 9.197 -2.256 1.00 -0.39 O HETATM 1443 N GLY A 1 -19.669 7.905 -1.601 1.00 -0.25 N HETATM 1444 CA GLY A 1 -19.685 8.407 -0.224 1.00 0.13 C HETATM 1445 C GLY A 1 -18.327 8.267 0.465 1.00 0.20 C HETATM 1446 O GLY A 1 -17.439 7.546 -0.004 1.00 -0.39 O HETATM 1447 N GLY A 1 -18.172 8.951 1.582 1.00 -0.26 N HETATM 1448 CA GLY A 1 -16.892 9.019 2.260 1.00 0.13 C HETATM 1449 C GLY A 1 -17.078 9.010 3.773 1.00 0.20 C HETATM 1450 O GLY A 1 -17.860 9.791 4.317 1.00 -0.39 O HETATM 1451 N GLY A 1 -16.365 8.120 4.444 1.00 -0.26 N HETATM 1452 CA GLY A 1 -16.342 8.094 5.899 1.00 0.13 C HETATM 1453 CB GLY A 1 -16.842 6.750 6.442 1.00 -0.01 C HETATM 1454 CG GLY A 1 -16.533 5.576 5.539 1.00 -0.05 C HETATM 1455 CD GLY A 1 -17.097 4.278 6.089 1.00 -0.03 C HETATM 1456 CE GLY A 1 -17.153 3.214 5.006 1.00 0.03 C HETATM 1457 NZ GLY A 1 -17.331 1.872 5.549 1.00 -0.29 N HETATM 1458 CH GLY A 1 -17.306 0.774 4.806 1.00 0.17 C HETATM 1459 OH GLY A 1 -17.123 0.818 3.587 1.00 -0.40 O HETATM 1460 CH3 GLY A 1 -17.506 -0.588 5.479 1.00 0.03 C HETATM 1461 H47 GLY A 1 -17.655 -0.445 6.559 1.00 0.05 H HETATM 1462 H48 GLY A 1 -16.617 -1.214 5.311 1.00 0.05 H HETATM 1463 H49 GLY A 1 -18.390 -1.083 5.050 1.00 0.05 H HETATM 1464 H50 GLY A 1 -17.480 1.775 6.533 1.00 0.18 H HETATM 1465 H51 GLY A 1 -17.996 3.438 4.335 1.00 0.05 H HETATM 1466 H52 GLY A 1 -16.213 3.242 4.436 1.00 0.05 H HETATM 1467 H53 GLY A 1 -16.455 3.925 6.909 1.00 0.03 H HETATM 1468 H54 GLY A 1 -18.113 4.459 6.470 1.00 0.03 H HETATM 1469 H55 GLY A 1 -16.972 5.764 4.548 1.00 0.03 H HETATM 1470 H56 GLY A 1 -15.442 5.478 5.444 1.00 0.03 H HETATM 1471 H57 GLY A 1 -16.367 6.572 7.418 1.00 0.03 H HETATM 1472 H58 GLY A 1 -17.933 6.812 6.571 1.00 0.03 H HETATM 1473 C GLY A 1 -14.932 8.397 6.395 1.00 0.20 C HETATM 1474 O GLY A 1 -14.089 7.503 6.513 1.00 -0.39 O HETATM 1475 N GLY A 1 -14.687 9.675 6.648 1.00 -0.26 N HETATM 1476 CA GLY A 1 -13.376 10.162 7.062 1.00 0.13 C HETATM 1477 C GLY A 1 -12.952 9.560 8.400 1.00 0.20 C HETATM 1478 O GLY A 1 -13.787 9.184 9.226 1.00 -0.39 O HETATM 1479 N GLY A 1 -11.640 9.473 8.593 1.00 -0.26 N HETATM 1480 CA GLY A 1 -11.065 8.867 9.787 1.00 0.13 C HETATM 1481 C GLY A 1 -11.162 9.824 10.967 1.00 0.20 C HETATM 1482 O GLY A 1 -11.239 9.400 12.119 1.00 -0.39 O HETATM 1483 N GLY A 1 -11.146 11.113 10.671 1.00 -0.26 N HETATM 1484 CA GLY A 1 -11.264 12.138 11.693 1.00 0.13 C HETATM 1485 C GLY A 1 -12.165 13.259 11.201 1.00 0.20 C HETATM 1486 O GLY A 1 -11.843 13.938 10.225 1.00 -0.39 O HETATM 1487 N GLY A 1 -13.292 13.441 11.874 1.00 -0.26 N HETATM 1488 CA GLY A 1 -14.290 14.411 11.456 1.00 0.16 C HETATM 1489 C GLY A 1 -13.814 15.842 11.699 1.00 0.21 C HETATM 1490 O GLY A 1 -13.749 16.300 12.841 1.00 -0.39 O HETATM 1491 N GLY A 1 -13.461 16.523 10.608 1.00 -0.26 N HETATM 1492 CA GLY A 1 -13.060 17.930 10.648 1.00 0.13 C HETATM 1493 C GLY A 1 -11.853 18.148 11.562 1.00 0.20 C HETATM 1494 O GLY A 1 -11.809 19.105 12.340 1.00 -0.39 O HETATM 1495 N GLY A 1 -10.874 17.262 11.463 1.00 -0.27 N HETATM 1496 CA GLY A 1 -9.653 17.385 12.244 1.00 0.09 C HETATM 1497 C GLY A 1 -8.439 17.412 11.323 1.00 0.06 C HETATM 1498 O GLY A 1 -7.620 16.471 11.374 1.00 -0.57 O HETATM 1499 OXT GLY A 1 -8.329 18.363 10.519 1.00 -0.57 O HETATM 1500 CB GLY A 1 -9.549 16.243 13.244 1.00 -0.03 C HETATM 1501 H107 GLY A 1 -8.622 16.349 13.827 1.00 0.03 H HETATM 1502 H108 GLY A 1 -9.536 15.284 12.705 1.00 0.03 H HETATM 1503 H109 GLY A 1 -10.414 16.270 13.923 1.00 0.03 H HETATM 1504 H106 GLY A 1 -9.688 18.333 12.801 1.00 0.07 H HETATM 1505 H105 GLY A 1 -10.976 16.490 10.836 1.00 0.19 H HETATM 1506 CB GLY A 1 -14.236 18.809 11.097 1.00 -0.01 C HETATM 1507 CG GLY A 1 -15.440 18.746 10.165 1.00 -0.04 C HETATM 1508 CD GLY A 1 -15.149 19.377 8.809 1.00 -0.01 C HETATM 1509 CE GLY A 1 -15.002 20.888 8.914 1.00 -0.04 C HETATM 1510 NZ GLY A 1 -14.732 21.515 7.595 1.00 0.22 N HETATM 1511 H102 GLY A 1 -14.642 22.512 7.709 1.00 0.20 H HETATM 1512 H103 GLY A 1 -15.494 21.316 6.966 1.00 0.20 H HETATM 1513 H104 GLY A 1 -13.877 21.142 7.214 1.00 0.20 H HETATM 1514 H100 GLY A 1 -14.168 21.117 9.593 1.00 0.08 H HETATM 1515 H101 GLY A 1 -15.933 21.308 9.322 1.00 0.08 H HETATM 1516 H98 GLY A 1 -15.977 19.146 8.123 1.00 0.03 H HETATM 1517 H99 GLY A 1 -14.214 18.954 8.412 1.00 0.03 H HETATM 1518 H96 GLY A 1 -16.279 19.282 10.633 1.00 0.03 H HETATM 1519 H97 GLY A 1 -15.717 17.692 10.014 1.00 0.03 H HETATM 1520 H94 GLY A 1 -13.890 19.852 11.147 1.00 0.03 H HETATM 1521 H95 GLY A 1 -14.554 18.479 12.097 1.00 0.03 H HETATM 1522 H93 GLY A 1 -12.774 18.231 9.629 1.00 0.08 H HETATM 1523 H92 GLY A 1 -13.471 16.053 9.726 1.00 0.19 H HETATM 1524 CB GLY A 1 -15.625 14.176 12.191 1.00 0.09 C HETATM 1525 OG1 GLY A 1 -16.014 12.799 12.064 1.00 -0.39 O HETATM 1526 H88 GLY A 1 -16.837 12.660 12.518 1.00 0.21 H HETATM 1527 CG2 GLY A 1 -16.725 15.066 11.625 1.00 -0.03 C HETATM 1528 H89 GLY A 1 -17.664 14.878 12.167 1.00 0.03 H HETATM 1529 H90 GLY A 1 -16.866 14.841 10.558 1.00 0.03 H HETATM 1530 H91 GLY A 1 -16.439 16.122 11.742 1.00 0.03 H HETATM 1531 H87 GLY A 1 -15.489 14.414 13.256 1.00 0.06 H HETATM 1532 H86 GLY A 1 -14.460 14.282 10.377 1.00 0.08 H HETATM 1533 H85 GLY A 1 -13.461 12.894 12.694 1.00 0.19 H HETATM 1534 CB GLY A 1 -9.893 12.674 12.071 1.00 -0.02 C HETATM 1535 H82 GLY A 1 -10.002 13.448 12.845 1.00 0.03 H HETATM 1536 H83 GLY A 1 -9.412 13.109 11.183 1.00 0.03 H HETATM 1537 H84 GLY A 1 -9.272 11.853 12.459 1.00 0.03 H HETATM 1538 H81 GLY A 1 -11.720 11.690 12.588 1.00 0.08 H HETATM 1539 H80 GLY A 1 -11.050 11.390 9.715 1.00 0.19 H HETATM 1540 CB GLY A 1 -9.591 8.487 9.557 1.00 -0.01 C HETATM 1541 CG GLY A 1 -9.318 7.374 8.530 1.00 -0.04 C HETATM 1542 CD1 GLY A 1 -10.131 6.131 8.847 1.00 -0.06 C HETATM 1543 H74 GLY A 1 -9.918 5.353 8.099 1.00 0.02 H HETATM 1544 H75 GLY A 1 -11.203 6.378 8.823 1.00 0.02 H HETATM 1545 H76 GLY A 1 -9.862 5.762 9.848 1.00 0.02 H HETATM 1546 CD2 GLY A 1 -9.591 7.848 7.108 1.00 -0.06 C HETATM 1547 H77 GLY A 1 -8.993 8.748 6.900 1.00 0.02 H HETATM 1548 H78 GLY A 1 -10.660 8.085 6.999 1.00 0.02 H HETATM 1549 H79 GLY A 1 -9.317 7.054 6.398 1.00 0.02 H HETATM 1550 H73 GLY A 1 -8.253 7.108 8.598 1.00 0.03 H HETATM 1551 H71 GLY A 1 -9.176 8.160 10.522 1.00 0.03 H HETATM 1552 H72 GLY A 1 -9.062 9.390 9.218 1.00 0.03 H HETATM 1553 H70 GLY A 1 -11.632 7.954 10.023 1.00 0.08 H HETATM 1554 H69 GLY A 1 -11.025 9.837 7.893 1.00 0.19 H HETATM 1555 CB GLY A 1 -13.403 11.693 7.143 1.00 0.00 C HETATM 1556 CG GLY A 1 -14.394 12.246 8.157 1.00 0.04 C HETATM 1557 CD GLY A 1 -14.701 13.715 7.933 1.00 0.17 C HETATM 1558 OE1 GLY A 1 -14.006 14.595 8.441 1.00 -0.40 O HETATM 1559 NE2 GLY A 1 -15.754 13.989 7.185 1.00 -0.30 N HETATM 1560 H67 GLY A 1 -16.005 14.940 7.003 1.00 0.18 H HETATM 1561 H68 GLY A 1 -16.301 13.246 6.800 1.00 0.18 H HETATM 1562 H65 GLY A 1 -13.971 12.124 9.165 1.00 0.05 H HETATM 1563 H66 GLY A 1 -15.331 11.675 8.081 1.00 0.05 H HETATM 1564 H63 GLY A 1 -13.669 12.086 6.151 1.00 0.03 H HETATM 1565 H64 GLY A 1 -12.397 12.042 7.418 1.00 0.03 H HETATM 1566 H62 GLY A 1 -12.639 9.864 6.302 1.00 0.08 H HETATM 1567 H61 GLY A 1 -15.433 10.334 6.551 1.00 0.19 H HETATM 1568 H59 GLY A 1 -17.015 8.881 6.269 1.00 0.08 H HETATM 1569 H60 GLY A 1 -15.827 7.446 3.937 1.00 0.19 H HETATM 1570 CB GLY A 1 -16.174 10.303 1.822 1.00 -0.01 C HETATM 1571 CG GLY A 1 -14.922 10.649 2.614 1.00 -0.02 C HETATM 1572 CD GLY A 1 -13.662 10.107 1.967 1.00 0.06 C HETATM 1573 NE GLY A 1 -12.467 10.725 2.538 1.00 -0.27 N HETATM 1574 CZ GLY A 1 -11.271 10.715 1.958 1.00 0.29 C HETATM 1575 NH1 GLY A 1 -11.079 10.044 0.833 1.00 -0.28 N HETATM 1576 H43 GLY A 1 -10.150 10.040 0.388 1.00 0.26 H HETATM 1577 H44 GLY A 1 -11.858 9.526 0.403 1.00 0.26 H HETATM 1578 NH2 GLY A 1 -10.263 11.376 2.509 1.00 -0.28 N HETATM 1579 H45 GLY A 1 -10.408 11.899 3.384 1.00 0.26 H HETATM 1580 H46 GLY A 1 -9.335 11.366 2.062 1.00 0.26 H HETATM 1581 H42 GLY A 1 -12.557 11.199 3.448 1.00 0.26 H HETATM 1582 H40 GLY A 1 -13.694 10.317 0.888 1.00 0.07 H HETATM 1583 H41 GLY A 1 -13.615 9.020 2.128 1.00 0.07 H HETATM 1584 H38 GLY A 1 -15.013 10.222 3.623 1.00 0.03 H HETATM 1585 H39 GLY A 1 -14.840 11.744 2.685 1.00 0.03 H HETATM 1586 H36 GLY A 1 -16.881 11.139 1.922 1.00 0.03 H HETATM 1587 H37 GLY A 1 -15.888 10.189 0.766 1.00 0.03 H HETATM 1588 H35 GLY A 1 -16.285 8.148 1.972 1.00 0.08 H HETATM 1589 H34 GLY A 1 -18.956 9.434 1.971 1.00 0.19 H HETATM 1590 CB GLY A 1 -20.745 7.547 0.481 1.00 -0.01 C HETATM 1591 CG GLY A 1 -21.012 6.408 -0.445 1.00 -0.03 C HETATM 1592 CD GLY A 1 -20.745 6.928 -1.826 1.00 0.04 C HETATM 1593 H32 GLY A 1 -20.414 6.121 -2.497 1.00 0.05 H HETATM 1594 H33 GLY A 1 -21.639 7.412 -2.247 1.00 0.05 H HETATM 1595 H30 GLY A 1 -22.058 6.080 -0.356 1.00 0.03 H HETATM 1596 H31 GLY A 1 -20.343 5.565 -0.218 1.00 0.03 H HETATM 1597 H28 GLY A 1 -21.663 8.129 0.649 1.00 0.03 H HETATM 1598 H29 GLY A 1 -20.363 7.178 1.444 1.00 0.03 H HETATM 1599 H27 GLY A 1 -19.981 9.466 -0.212 1.00 0.08 H HETATM 1600 CB GLY A 1 -18.220 6.323 -3.924 1.00 -0.02 C HETATM 1601 H24 GLY A 1 -18.738 5.690 -3.188 1.00 0.03 H HETATM 1602 H25 GLY A 1 -17.153 6.390 -3.664 1.00 0.03 H HETATM 1603 H26 GLY A 1 -18.326 5.882 -4.926 1.00 0.03 H HETATM 1604 H23 GLY A 1 -19.890 7.632 -4.208 1.00 0.08 H HETATM 1605 H22 GLY A 1 -17.380 8.192 -5.402 1.00 0.19 H HETATM 1606 CB GLY A 1 -16.217 10.436 -5.876 1.00 -0.01 C HETATM 1607 CG GLY A 1 -15.778 10.826 -4.472 1.00 -0.04 C HETATM 1608 CD GLY A 1 -14.265 10.761 -4.313 1.00 -0.01 C HETATM 1609 CE GLY A 1 -13.576 11.868 -5.095 1.00 -0.04 C HETATM 1610 NZ GLY A 1 -12.097 11.821 -4.950 1.00 0.22 N HETATM 1611 H19 GLY A 1 -11.683 12.570 -5.483 1.00 0.20 H HETATM 1612 H20 GLY A 1 -11.754 10.937 -5.291 1.00 0.20 H HETATM 1613 H21 GLY A 1 -11.851 11.925 -3.978 1.00 0.20 H HETATM 1614 H17 GLY A 1 -13.937 12.840 -4.727 1.00 0.08 H HETATM 1615 H18 GLY A 1 -13.831 11.761 -6.160 1.00 0.08 H HETATM 1616 H15 GLY A 1 -13.908 9.788 -4.681 1.00 0.03 H HETATM 1617 H16 GLY A 1 -14.012 10.865 -3.248 1.00 0.03 H HETATM 1618 H13 GLY A 1 -16.241 10.138 -3.750 1.00 0.03 H HETATM 1619 H14 GLY A 1 -16.114 11.853 -4.267 1.00 0.03 H HETATM 1620 H11 GLY A 1 -15.668 11.060 -6.597 1.00 0.03 H HETATM 1621 H12 GLY A 1 -15.961 9.379 -6.038 1.00 0.03 H HETATM 1622 H10 GLY A 1 -17.953 10.239 -7.136 1.00 0.08 H HETATM 1623 H9 GLY A 1 -18.388 12.399 -5.181 1.00 0.19 H HETATM 1624 H7 GLY A 1 -18.743 14.683 -7.873 1.00 0.08 H HETATM 1625 H8 GLY A 1 -19.357 14.248 -6.242 1.00 0.08 H HETATM 1626 H6 GLY A 1 -16.480 14.839 -6.474 1.00 0.19 H HETATM 1627 H4 GLY A 1 -15.645 16.319 -5.174 1.00 0.11 H HETATM 1628 H5 GLY A 1 -16.558 17.850 -5.396 1.00 0.11 H HETATM 1629 H1 GLY A 1 -15.887 17.526 -3.126 1.00 0.20 H HETATM 1630 H2 GLY A 1 -16.693 16.094 -3.033 1.00 0.20 H HETATM 1631 H3 GLY A 1 -17.529 17.497 -3.236 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1427 1428 1629 1630 1631 CONECT 1428 1427 1429 1627 1628 CONECT 1429 1428 1430 1431 CONECT 1430 1429 CONECT 1431 1429 1432 1626 CONECT 1432 1431 1433 1624 1625 CONECT 1433 1432 1434 1435 CONECT 1434 1433 CONECT 1435 1433 1436 1623 CONECT 1436 1435 1437 1606 1622 CONECT 1437 1436 1438 1439 CONECT 1438 1437 CONECT 1439 1437 1440 1605 CONECT 1440 1439 1441 1600 1604 CONECT 1441 1440 1442 1443 CONECT 1442 1441 CONECT 1443 1441 1444 1592 CONECT 1444 1443 1445 1590 1599 CONECT 1445 1444 1446 1447 CONECT 1446 1445 CONECT 1447 1445 1448 1589 CONECT 1448 1447 1449 1570 1588 CONECT 1449 1448 1450 1451 CONECT 1450 1449 CONECT 1451 1449 1452 1569 CONECT 1452 1451 1453 1473 1568 CONECT 1453 1452 1454 1471 1472 CONECT 1454 1453 1455 1469 1470 CONECT 1455 1454 1456 1467 1468 CONECT 1456 1455 1457 1465 1466 CONECT 1457 1456 1458 1464 CONECT 1458 1457 1459 1460 CONECT 1459 1458 CONECT 1460 1458 1461 1462 1463 CONECT 1461 1460 CONECT 1462 1460 CONECT 1463 1460 CONECT 1464 1457 CONECT 1465 1456 CONECT 1466 1456 CONECT 1467 1455 CONECT 1468 1455 CONECT 1469 1454 CONECT 1470 1454 CONECT 1471 1453 CONECT 1472 1453 CONECT 1473 1452 1474 1475 CONECT 1474 1473 CONECT 1475 1473 1476 1567 CONECT 1476 1475 1477 1555 1566 CONECT 1477 1476 1478 1479 CONECT 1478 1477 CONECT 1479 1477 1480 1554 CONECT 1480 1479 1481 1540 1553 CONECT 1481 1480 1482 1483 CONECT 1482 1481 CONECT 1483 1481 1484 1539 CONECT 1484 1483 1485 1534 1538 CONECT 1485 1484 1486 1487 CONECT 1486 1485 CONECT 1487 1485 1488 1533 CONECT 1488 1487 1489 1524 1532 CONECT 1489 1488 1490 1491 CONECT 1490 1489 CONECT 1491 1489 1492 1523 CONECT 1492 1491 1493 1506 1522 CONECT 1493 1492 1494 1495 CONECT 1494 1493 CONECT 1495 1493 1496 1505 CONECT 1496 1495 1497 1500 1504 CONECT 1497 1496 1498 1499 CONECT 1498 1497 CONECT 1499 1497 CONECT 1500 1496 1501 1502 1503 CONECT 1501 1500 CONECT 1502 1500 CONECT 1503 1500 CONECT 1504 1496 CONECT 1505 1495 CONECT 1506 1492 1507 1520 1521 CONECT 1507 1506 1508 1518 1519 CONECT 1508 1507 1509 1516 1517 CONECT 1509 1508 1510 1514 1515 CONECT 1510 1509 1511 1512 1513 CONECT 1511 1510 CONECT 1512 1510 CONECT 1513 1510 CONECT 1514 1509 CONECT 1515 1509 CONECT 1516 1508 CONECT 1517 1508 CONECT 1518 1507 CONECT 1519 1507 CONECT 1520 1506 CONECT 1521 1506 CONECT 1522 1492 CONECT 1523 1491 CONECT 1524 1488 1525 1527 1531 CONECT 1525 1524 1526 CONECT 1526 1525 CONECT 1527 1524 1528 1529 1530 CONECT 1528 1527 CONECT 1529 1527 CONECT 1530 1527 CONECT 1531 1524 CONECT 1532 1488 CONECT 1533 1487 CONECT 1534 1484 1535 1536 1537 CONECT 1535 1534 CONECT 1536 1534 CONECT 1537 1534 CONECT 1538 1484 CONECT 1539 1483 CONECT 1540 1480 1541 1551 1552 CONECT 1541 1540 1542 1546 1550 CONECT 1542 1541 1543 1544 1545 CONECT 1543 1542 CONECT 1544 1542 CONECT 1545 1542 CONECT 1546 1541 1547 1548 1549 CONECT 1547 1546 CONECT 1548 1546 CONECT 1549 1546 CONECT 1550 1541 CONECT 1551 1540 CONECT 1552 1540 CONECT 1553 1480 CONECT 1554 1479 CONECT 1555 1476 1556 1564 1565 CONECT 1556 1555 1557 1562 1563 CONECT 1557 1556 1558 1559 CONECT 1558 1557 CONECT 1559 1557 1560 1561 CONECT 1560 1559 CONECT 1561 1559 CONECT 1562 1556 CONECT 1563 1556 CONECT 1564 1555 CONECT 1565 1555 CONECT 1566 1476 CONECT 1567 1475 CONECT 1568 1452 CONECT 1569 1451 CONECT 1570 1448 1571 1586 1587 CONECT 1571 1570 1572 1584 1585 CONECT 1572 1571 1573 1582 1583 CONECT 1573 1572 1574 1581 CONECT 1574 1573 1575 1578 CONECT 1575 1574 1576 1577 CONECT 1576 1575 CONECT 1577 1575 CONECT 1578 1574 1579 1580 CONECT 1579 1578 CONECT 1580 1578 CONECT 1581 1573 CONECT 1582 1572 CONECT 1583 1572 CONECT 1584 1571 CONECT 1585 1571 CONECT 1586 1570 CONECT 1587 1570 CONECT 1588 1448 CONECT 1589 1447 CONECT 1590 1444 1591 1597 1598 CONECT 1591 1590 1592 1595 1596 CONECT 1592 1443 1591 1593 1594 CONECT 1593 1592 CONECT 1594 1592 CONECT 1595 1591 CONECT 1596 1591 CONECT 1597 1590 CONECT 1598 1590 CONECT 1599 1444 CONECT 1600 1440 1601 1602 1603 CONECT 1601 1600 CONECT 1602 1600 CONECT 1603 1600 CONECT 1604 1440 CONECT 1605 1439 CONECT 1606 1436 1607 1620 1621 CONECT 1607 1606 1608 1618 1619 CONECT 1608 1607 1609 1616 1617 CONECT 1609 1608 1610 1614 1615 CONECT 1610 1609 1611 1612 1613 CONECT 1611 1610 CONECT 1612 1610 CONECT 1613 1610 CONECT 1614 1609 CONECT 1615 1609 CONECT 1616 1608 CONECT 1617 1608 CONECT 1618 1607 CONECT 1619 1607 CONECT 1620 1606 CONECT 1621 1606 CONECT 1622 1436 CONECT 1623 1435 CONECT 1624 1432 CONECT 1625 1432 CONECT 1626 1431 CONECT 1627 1428 CONECT 1628 1428 CONECT 1629 1427 CONECT 1630 1427 CONECT 1631 1427 MASTER 0 0 0 0 0 0 0 0 1630 1 209 11 END
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Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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RCSB PDB
PDBbind
11aa, >3IIW_2|Chain... at 100%
3o34
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PDBbind
22aa, >3O34_2|Chain... at 90%
4gu0
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5j3v
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5wfc
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5wvo
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5znr
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PDBbind
11aa, >6AXJ_2|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1g6g
RCSB PDB
PDBbind
13-mer
1gag
RCSB PDB
PDBbind
13-mer
1haa
RCSB PDB
PDBbind
13-mer
1hc9
RCSB PDB
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13-mer
1i8h
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13-mer
1j4p
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PDBbind
13-mer
1j4q
RCSB PDB
PDBbind
13-mer
1juq
RCSB PDB
PDBbind
13-mer
1jwm
RCSB PDB
PDBbind
13-mer
1jws
RCSB PDB
PDBbind
13-mer
1jwu
RCSB PDB
PDBbind
13-mer
1k3n
RCSB PDB
PDBbind
13-mer
1k3q
RCSB PDB
PDBbind
13-mer
1oeb
RCSB PDB
PDBbind
13-mer
1opi
RCSB PDB
PDBbind
13-mer
1osv
RCSB PDB
PDBbind
13-mer
1ow6
RCSB PDB
PDBbind
13-mer
1ow7
RCSB PDB
PDBbind
13-mer
1ow8
RCSB PDB
PDBbind
13-mer
1p4u
RCSB PDB
PDBbind
13-mer
1r5v
RCSB PDB
PDBbind
13-mer
1r5w
RCSB PDB
PDBbind
13-mer
1rgj
RCSB PDB
PDBbind
13-mer
1sjh
RCSB PDB
PDBbind
13-mer
1sm3
RCSB PDB
PDBbind
13-mer
1thr
RCSB PDB
PDBbind
13-mer
1u9l
RCSB PDB
PDBbind
13-mer
1uef
RCSB PDB
PDBbind
13-mer
1yvh
RCSB PDB
PDBbind
13-mer
1ywh
RCSB PDB
PDBbind
13-mer
1zhk
RCSB PDB
PDBbind
13-mer
1zhl
RCSB PDB
PDBbind
13-mer
2a25
RCSB PDB
PDBbind
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2c9t
RCSB PDB
PDBbind
13-mer
2dwx
RCSB PDB
PDBbind
13-mer
2fts
RCSB PDB
PDBbind
13-mer
2las
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PDBbind
13-mer
2lct
RCSB PDB
PDBbind
13-mer
2lsp
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PDBbind
13-mer
2lto
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2lyw
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PDBbind
13-mer
2mc1
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2mkr
RCSB PDB
PDBbind
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2ndg
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2qki
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PDBbind
13-mer
2r0y
RCSB PDB
PDBbind
13-mer
2rnx
RCSB PDB
PDBbind
13-mer
2v87
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PDBbind
13-mer
2vr3
RCSB PDB
PDBbind
13-mer
3ask
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PDBbind
13-mer
3bum
RCSB PDB
PDBbind
13-mer
3bun
RCSB PDB
PDBbind
13-mer
3buo
RCSB PDB
PDBbind
13-mer
3buw
RCSB PDB
PDBbind
13-mer
3bux
RCSB PDB
PDBbind
13-mer
3c3o
RCSB PDB
PDBbind
13-mer
3c3r
RCSB PDB
PDBbind
13-mer
3coj
RCSB PDB
PDBbind
13-mer
3e1r
RCSB PDB
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13-mer
3eg6
RCSB PDB
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3emh
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3g2s
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3g2t
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PDBbind
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3g2u
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3g2v
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3ml4
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3n5u
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3nfk
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3nti
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PDBbind
13-mer
3o1d
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3o1e
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3q5u
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3rqf
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3rqg
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3rz9
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3tdz
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4abi
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4abj
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4b9w
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4bea
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4bv2
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4f20
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4h3q
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4jmg
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4jmh
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4m7c
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5eay
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RCSB PDB
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5h1e
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PDBbind
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RCSB PDB
PDBbind
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5hyr
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PDBbind
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PDBbind
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5kgn
RCSB PDB
PDBbind
13-mer
5lgp
RCSB PDB
PDBbind
13-mer
5lu2
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PDBbind
13-mer
5n8b
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PDBbind
13-mer
5n8e
RCSB PDB
PDBbind
13-mer
5n8t
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PDBbind
13-mer
5t6j
RCSB PDB
PDBbind
13-mer
5u6k
RCSB PDB
PDBbind
13-mer
5umz
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5vqi
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PDBbind
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5wgd
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5wgq
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5yyz
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PDBbind
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6bij
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6bil
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6bin
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6bir
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6biv
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6bix
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6biy
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6e8k
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6e8m
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13-mer
6o7g
RCSB PDB
PDBbind
13-mer
6o3y
RCSB PDB
PDBbind
13-mer
6nkp
RCSB PDB
PDBbind
13-mer
6n9t
RCSB PDB
PDBbind
13-mer
6n87
RCSB PDB
PDBbind
13-mer
6n7q
RCSB PDB
PDBbind
13-mer
6hy7
RCSB PDB
PDBbind
13-mer
6bcy
RCSB PDB
PDBbind
13-mer
5yy9
RCSB PDB
PDBbind
13-mer
5mtw
RCSB PDB
PDBbind
13-mer
Entry Information
PDB ID
2ndf
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Protein AF-9 yeats domain
Ligand Name
13-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=59.5uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Structure Vol. 24: pp. 1606-1612
Ligand Properties
Formula
C
5
9
H
1
1
0
N
2
0
O
1
7
Molecular Weight
1371.630
Exact Mass
1370.840
No. of atoms
206
No. of bonds
206
Polar Surface Area
619.06
LOGP Value
-5.66 (
Computed with XLOGP3
)
-4.99 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 17
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 60
No. of Nitrogen and Oxygen Atoms: 37
No. of Rings: 1
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)CCCC[NH3+])[C@H](O)C)C)CC(C)C)CCC(=O)N)CCCCNC(=O)C)CCC[NH+]=C(N)N)C)NC(=O)CNC(=O)C[NH3+]
InChI String
InChI=1S/C59H106N20O17/c1-31(2)28-42(54(91)69-32(3)48(85)78-47(35(6)80)56(93)76-38(17-9-12-24-61)50(87)71-34(5)58(95)96)77-53(90)41(21-22-44(63)82)74-51(88)39(18-10-13-25-66-36(7)81)73-52(89)40(19-14-26-67-59(64)65)75-55(92)43-20-15-27-79(43)57(94)33(4)70-49(86)37(16-8-11-23-60)72-46(84)30-68-45(83)29-62/h31-35,37-43,47,80H,8-30,60-62H2,1-7H3,(H2,63,82)(H,66,81)(H,68,83)(H,69,91)(H,70,86)(H,71,87)(H,72,84)(H,73,89)(H,74,88)(H,75,92)(H,76,93)(H,77,90)(H,78,85)(H,95,96)(H4,64,65,67)/p+4/t32-,33-,34-,35+,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P42568
P68431
Entrez Gene ID
NCBI Entrez Gene ID:
4300
8350
8351
8352
8353
8354
8355
8356
8357
8358
8968
ASD
Information of known allosteric effects of PDB entries
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