Browse entries in the PDBbind-CN Database
HEADER 4IBK_COMPLEX COMPND 4IBK_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 123 ASP ILE SER ALA LYS ASP LEU ARG ASN ILE MET TYR ASP SEQRES 2 A 123 HIS LEU PRO GLY PHE GLY THR ALA PHE HIS GLN LEU VAL SEQRES 3 A 123 GLN VAL ILE CYS LYS LEU GLY LYS ASP SER ASN SER LEU SEQRES 4 A 123 ASP ILE ILE HIS ALA GLU PHE GLN ALA SER LEU ALA GLU SEQRES 5 A 123 GLY ASP SER PRO GLN CYS ALA LEU ILE GLN ILE THR LYS SEQRES 6 A 123 ARG VAL PRO ILE PHE GLN ASP ALA ALA PRO PRO VAL ILE SEQRES 7 A 123 HIS ILE ARG SER ARG GLY ASP ILE PRO ARG ALA CYS GLN SEQRES 8 A 123 LYS SER LEU ARG PRO VAL PRO PRO SER PRO LYS ILE ASP SEQRES 9 A 123 ARG GLY TRP VAL CYS VAL PHE GLN LEU GLN ASP GLY LYS SEQRES 10 A 123 THR LEU GLY LEU LYS ILE HET UNN A 236 46 ATOM 1 N ASP A 218 -9.980 21.734 -15.599 1.00 31.52 N ATOM 2 CA ASP A 218 -9.180 22.877 -15.162 1.00 25.45 C ATOM 3 C ASP A 218 -7.858 22.417 -14.583 1.00 25.18 C ATOM 4 O ASP A 218 -7.730 21.273 -14.143 1.00 30.03 O ATOM 5 CB ASP A 218 -9.914 23.687 -14.091 1.00 35.30 C ATOM 6 CG ASP A 218 -11.260 24.198 -14.561 1.00 40.99 C ATOM 7 OD1 ASP A 218 -11.538 24.101 -15.776 1.00 42.88 O ATOM 8 OD2 ASP A 218 -12.031 24.693 -13.709 1.00 41.55 O ATOM 9 HN3 ASP A 218 -10.167 21.112 -14.786 1.00 0.00 H ATOM 10 HN2 ASP A 218 -9.459 21.206 -16.328 1.00 0.00 H ATOM 11 HN1 ASP A 218 -10.881 22.073 -15.992 1.00 0.00 H ATOM 12 N ILE A 219 -6.888 23.325 -14.555 1.00 24.03 N ATOM 13 CA ILE A 219 -5.575 23.020 -13.999 1.00 25.90 C ATOM 14 C ILE A 219 -5.681 22.805 -12.493 1.00 18.98 C ATOM 15 O ILE A 219 -6.409 23.516 -11.792 1.00 24.19 O ATOM 16 CB ILE A 219 -4.542 24.117 -14.351 1.00 36.22 C ATOM 17 CG1 ILE A 219 -3.142 23.710 -13.892 1.00 43.83 C ATOM 18 CG2 ILE A 219 -4.948 25.462 -13.763 1.00 34.96 C ATOM 19 CD1 ILE A 219 -2.060 24.649 -14.364 1.00 49.77 C ATOM 20 H ILE A 219 -7.070 24.275 -14.938 1.00 0.00 H ATOM 21 N SER A 220 -4.983 21.788 -12.004 1.00 18.21 N ATOM 22 CA SER A 220 -5.027 21.454 -10.590 1.00 18.92 C ATOM 23 C SER A 220 -3.800 22.003 -9.884 1.00 15.15 C ATOM 24 O SER A 220 -2.848 22.446 -10.528 1.00 16.51 O ATOM 25 CB SER A 220 -5.083 19.941 -10.419 1.00 17.11 C ATOM 26 OG SER A 220 -3.841 19.356 -10.753 1.00 16.83 O ATOM 27 HG SER A 220 -3.622 19.565 -11.696 1.00 0.00 H ATOM 28 H SER A 220 -4.393 21.219 -12.644 1.00 0.00 H ATOM 29 N ALA A 221 -3.810 21.975 -8.557 1.00 16.47 N ATOM 30 CA ALA A 221 -2.632 22.375 -7.795 1.00 12.26 C ATOM 31 C ALA A 221 -1.416 21.531 -8.191 1.00 16.14 C ATOM 32 O ALA A 221 -0.316 22.051 -8.354 1.00 14.89 O ATOM 33 CB ALA A 221 -2.895 22.264 -6.310 1.00 11.83 C ATOM 34 H ALA A 221 -4.666 21.665 -8.055 1.00 0.00 H ATOM 35 N LYS A 222 -1.618 20.226 -8.329 1.00 12.73 N ATOM 36 CA LYS A 222 -0.536 19.334 -8.735 1.00 16.42 C ATOM 37 C LYS A 222 -0.018 19.656 -10.144 1.00 13.87 C ATOM 38 O LYS A 222 1.193 19.723 -10.361 1.00 12.85 O ATOM 39 CB LYS A 222 -0.995 17.881 -8.644 1.00 21.35 C ATOM 40 CG LYS A 222 0.039 16.861 -9.076 1.00 26.79 C ATOM 41 CD LYS A 222 -0.581 15.469 -9.116 1.00 34.94 C ATOM 42 CE LYS A 222 0.393 14.452 -9.680 1.00 44.74 C ATOM 43 NZ LYS A 222 1.660 14.433 -8.894 1.00 50.35 N ATOM 44 HZ1 LYS A 222 2.102 15.374 -8.928 1.00 0.00 H ATOM 45 HZ2 LYS A 222 1.450 14.183 -7.907 1.00 0.00 H ATOM 46 HZ3 LYS A 222 2.308 13.729 -9.301 1.00 0.00 H ATOM 47 H LYS A 222 -2.563 19.833 -8.145 1.00 0.00 H ATOM 48 N ASP A 223 -0.929 19.877 -11.095 1.00 17.55 N ATOM 49 CA ASP A 223 -0.530 20.279 -12.443 1.00 14.29 C ATOM 50 C ASP A 223 0.325 21.544 -12.424 1.00 19.07 C ATOM 51 O ASP A 223 1.358 21.612 -13.085 1.00 14.76 O ATOM 52 CB ASP A 223 -1.747 20.570 -13.310 1.00 19.01 C ATOM 53 CG ASP A 223 -2.533 19.327 -13.668 1.00 31.33 C ATOM 54 OD1 ASP A 223 -1.934 18.236 -13.766 1.00 32.65 O ATOM 55 OD2 ASP A 223 -3.758 19.464 -13.867 1.00 34.19 O ATOM 56 H ASP A 223 -1.938 19.761 -10.873 1.00 0.00 H ATOM 57 N LEU A 224 -0.126 22.553 -11.686 1.00 11.79 N ATOM 58 CA LEU A 224 0.571 23.831 -11.687 1.00 12.02 C ATOM 59 C LEU A 224 1.934 23.707 -11.007 1.00 12.72 C ATOM 60 O LEU A 224 2.931 24.273 -11.470 1.00 10.00 O ATOM 61 CB LEU A 224 -0.281 24.904 -11.014 1.00 13.86 C ATOM 62 CG LEU A 224 0.309 26.318 -11.043 1.00 11.66 C ATOM 63 CD1 LEU A 224 0.533 26.778 -12.475 1.00 10.37 C ATOM 64 CD2 LEU A 224 -0.636 27.264 -10.337 1.00 9.32 C ATOM 65 H LEU A 224 -0.980 22.429 -11.106 1.00 0.00 H ATOM 66 N ARG A 225 1.976 22.960 -9.909 1.00 9.61 N ATOM 67 CA ARG A 225 3.245 22.672 -9.239 1.00 12.85 C ATOM 68 C ARG A 225 4.265 22.090 -10.227 1.00 14.42 C ATOM 69 O ARG A 225 5.418 22.533 -10.300 1.00 9.42 O ATOM 70 CB ARG A 225 3.012 21.683 -8.086 1.00 10.64 C ATOM 71 CG ARG A 225 4.215 21.471 -7.185 1.00 19.13 C ATOM 72 CD ARG A 225 4.008 20.241 -6.322 1.00 22.84 C ATOM 73 NE ARG A 225 4.170 19.033 -7.122 1.00 31.89 N ATOM 74 CZ ARG A 225 3.747 17.826 -6.767 1.00 40.46 C ATOM 75 NH1 ARG A 225 3.112 17.647 -5.613 1.00 39.61 N ATOM 76 NH2 ARG A 225 3.954 16.795 -7.578 1.00 38.17 N ATOM 77 HE ARG A 225 4.653 19.124 -8.039 1.00 0.00 H ATOM 78 HH12 ARG A 225 2.784 16.698 -5.342 1.00 0.00 H ATOM 79 HH11 ARG A 225 2.944 18.456 -4.981 1.00 0.00 H ATOM 80 HH22 ARG A 225 3.626 15.846 -7.307 1.00 0.00 H ATOM 81 HH21 ARG A 225 4.445 16.936 -8.484 1.00 0.00 H ATOM 82 H ARG A 225 1.093 22.574 -9.519 1.00 0.00 H ATOM 83 N ASN A 226 3.833 21.096 -10.990 1.00 12.51 N ATOM 84 CA ASN A 226 4.716 20.443 -11.949 1.00 11.95 C ATOM 85 C ASN A 226 5.167 21.391 -13.049 1.00 15.68 C ATOM 86 O ASN A 226 6.338 21.407 -13.425 1.00 17.57 O ATOM 87 CB ASN A 226 4.044 19.205 -12.534 1.00 13.79 C ATOM 88 CG ASN A 226 4.007 18.047 -11.548 1.00 26.68 C ATOM 89 OD1 ASN A 226 4.815 17.990 -10.622 1.00 26.48 O ATOM 90 ND2 ASN A 226 3.078 17.117 -11.746 1.00 24.07 N ATOM 91 HD22 ASN A 226 2.415 17.206 -12.542 1.00 0.00 H ATOM 92 HD21 ASN A 226 3.014 16.301 -11.105 1.00 0.00 H ATOM 93 H ASN A 226 2.847 20.776 -10.903 1.00 0.00 H ATOM 94 N ILE A 227 4.231 22.175 -13.568 1.00 11.59 N ATOM 95 CA ILE A 227 4.564 23.187 -14.559 1.00 13.61 C ATOM 96 C ILE A 227 5.635 24.167 -14.040 1.00 16.87 C ATOM 97 O ILE A 227 6.628 24.451 -14.724 1.00 14.98 O ATOM 98 CB ILE A 227 3.300 23.933 -14.993 1.00 15.75 C ATOM 99 CG1 ILE A 227 2.452 23.013 -15.882 1.00 17.37 C ATOM 100 CG2 ILE A 227 3.656 25.243 -15.697 1.00 19.54 C ATOM 101 CD1 ILE A 227 1.039 23.507 -16.103 1.00 21.94 C ATOM 102 H ILE A 227 3.243 22.064 -13.262 1.00 0.00 H ATOM 103 N MET A 228 5.450 24.652 -12.820 1.00 12.34 N ATOM 104 CA MET A 228 6.411 25.579 -12.232 1.00 7.79 C ATOM 105 C MET A 228 7.739 24.902 -11.915 1.00 9.94 C ATOM 106 O MET A 228 8.806 25.466 -12.192 1.00 9.35 O ATOM 107 CB MET A 228 5.817 26.239 -10.984 1.00 7.39 C ATOM 108 CG MET A 228 4.683 27.180 -11.308 1.00 14.63 C ATOM 109 SD MET A 228 3.891 27.862 -9.841 1.00 13.79 S ATOM 110 CE MET A 228 3.158 29.315 -10.593 1.00 9.23 C ATOM 111 H MET A 228 4.610 24.368 -12.276 1.00 0.00 H ATOM 112 N TYR A 229 7.680 23.693 -11.354 1.00 9.49 N ATOM 113 CA TYR A 229 8.893 22.905 -11.119 1.00 13.63 C ATOM 114 C TYR A 229 9.721 22.737 -12.390 1.00 14.08 C ATOM 115 O TYR A 229 10.949 22.781 -12.343 1.00 11.17 O ATOM 116 CB TYR A 229 8.582 21.497 -10.574 1.00 9.73 C ATOM 117 CG TYR A 229 8.319 21.400 -9.083 1.00 12.54 C ATOM 118 CD1 TYR A 229 8.066 22.532 -8.316 1.00 12.85 C ATOM 119 CD2 TYR A 229 8.324 20.163 -8.445 1.00 20.49 C ATOM 120 CE1 TYR A 229 7.816 22.427 -6.941 1.00 12.20 C ATOM 121 CE2 TYR A 229 8.084 20.051 -7.077 1.00 26.06 C ATOM 122 CZ TYR A 229 7.836 21.193 -6.334 1.00 20.16 C ATOM 123 OH TYR A 229 7.599 21.092 -4.983 1.00 21.41 O ATOM 124 HH TYR A 229 6.801 20.527 -4.831 1.00 0.00 H ATOM 125 H TYR A 229 6.756 23.303 -11.078 1.00 0.00 H ATOM 126 N ASP A 230 9.038 22.512 -13.511 1.00 12.76 N ATOM 127 CA ASP A 230 9.696 22.286 -14.797 1.00 19.72 C ATOM 128 C ASP A 230 10.581 23.454 -15.190 1.00 18.42 C ATOM 129 O ASP A 230 11.469 23.308 -16.026 1.00 19.10 O ATOM 130 CB ASP A 230 8.666 22.062 -15.911 1.00 29.40 C ATOM 131 CG ASP A 230 8.028 20.681 -15.864 1.00 41.12 C ATOM 132 OD1 ASP A 230 8.548 19.794 -15.149 1.00 40.33 O ATOM 133 OD2 ASP A 230 7.003 20.485 -16.555 1.00 49.06 O ATOM 134 H ASP A 230 7.999 22.496 -13.470 1.00 0.00 H ATOM 135 N HIS A 231 10.338 24.614 -14.591 1.00 13.55 N ATOM 136 CA HIS A 231 11.130 25.793 -14.919 1.00 12.09 C ATOM 137 C HIS A 231 12.267 26.096 -13.924 1.00 13.71 C ATOM 138 O HIS A 231 13.107 26.956 -14.192 1.00 17.07 O ATOM 139 CB HIS A 231 10.217 27.017 -15.098 1.00 12.52 C ATOM 140 CG HIS A 231 9.346 26.948 -16.319 1.00 16.34 C ATOM 141 ND1 HIS A 231 9.677 27.568 -17.507 1.00 20.58 N ATOM 142 CD2 HIS A 231 8.152 26.343 -16.531 1.00 18.41 C ATOM 143 CE1 HIS A 231 8.725 27.344 -18.399 1.00 18.70 C ATOM 144 NE2 HIS A 231 7.788 26.606 -17.831 1.00 20.72 N ATOM 145 H HIS A 231 9.578 24.682 -13.884 1.00 0.00 H ATOM 146 N LEU A 232 12.307 25.400 -12.789 1.00 9.09 N ATOM 147 CA LEU A 232 13.294 25.732 -11.752 1.00 7.86 C ATOM 148 C LEU A 232 14.532 24.854 -11.765 1.00 11.58 C ATOM 149 O LEU A 232 14.433 23.642 -11.977 1.00 9.77 O ATOM 150 CB LEU A 232 12.655 25.639 -10.362 1.00 8.33 C ATOM 151 CG LEU A 232 11.516 26.595 -10.033 1.00 7.67 C ATOM 152 CD1 LEU A 232 10.858 26.133 -8.752 1.00 9.01 C ATOM 153 CD2 LEU A 232 12.029 28.054 -9.888 1.00 9.18 C ATOM 154 H LEU A 232 11.637 24.619 -12.636 1.00 0.00 H ATOM 155 N PRO A 233 15.704 25.451 -11.492 1.00 11.43 N ATOM 156 CA PRO A 233 16.923 24.643 -11.356 1.00 14.07 C ATOM 157 C PRO A 233 17.005 24.030 -9.958 1.00 13.37 C ATOM 158 O PRO A 233 16.368 24.524 -9.027 1.00 13.55 O ATOM 159 CB PRO A 233 18.036 25.669 -11.536 1.00 13.61 C ATOM 160 CG PRO A 233 17.434 26.946 -10.965 1.00 11.89 C ATOM 161 CD PRO A 233 15.968 26.893 -11.327 1.00 8.49 C ATOM 162 N GLY A 234 17.776 22.960 -9.819 1.00 16.05 N ATOM 163 CA GLY A 234 17.959 22.334 -8.524 1.00 15.43 C ATOM 164 C GLY A 234 16.754 21.533 -8.073 1.00 17.19 C ATOM 165 O GLY A 234 15.825 21.278 -8.846 1.00 14.48 O ATOM 166 H GLY A 234 18.257 22.564 -10.652 1.00 0.00 H ATOM 167 N PHE A 235 16.775 21.135 -6.804 1.00 10.61 N ATOM 168 CA PHE A 235 15.742 20.290 -6.236 1.00 15.93 C ATOM 169 C PHE A 235 15.555 20.658 -4.765 1.00 11.26 C ATOM 170 O PHE A 235 16.535 20.812 -4.033 1.00 12.78 O ATOM 171 CB PHE A 235 16.177 18.830 -6.385 1.00 26.45 C ATOM 172 CG PHE A 235 15.388 17.866 -5.554 1.00 35.72 C ATOM 173 CD1 PHE A 235 14.150 17.414 -5.982 1.00 39.26 C ATOM 174 CD2 PHE A 235 15.894 17.392 -4.348 1.00 39.78 C ATOM 175 CE1 PHE A 235 13.423 16.512 -5.219 1.00 42.86 C ATOM 176 CE2 PHE A 235 15.171 16.490 -3.575 1.00 40.14 C ATOM 177 CZ PHE A 235 13.936 16.047 -4.013 1.00 43.67 C ATOM 178 H PHE A 235 17.562 21.441 -6.196 1.00 0.00 H ATOM 179 N GLY A 236 14.306 20.827 -4.341 1.00 10.05 N ATOM 180 CA GLY A 236 14.010 21.134 -2.950 1.00 15.53 C ATOM 181 C GLY A 236 14.557 22.478 -2.501 1.00 11.16 C ATOM 182 O GLY A 236 14.949 22.645 -1.344 1.00 12.30 O ATOM 183 H GLY A 236 13.523 20.738 -5.019 1.00 0.00 H ATOM 184 N THR A 237 14.597 23.438 -3.417 1.00 9.99 N ATOM 185 CA THR A 237 15.109 24.768 -3.086 1.00 9.10 C ATOM 186 C THR A 237 14.006 25.629 -2.485 1.00 12.37 C ATOM 187 O THR A 237 12.837 25.240 -2.490 1.00 9.26 O ATOM 188 CB THR A 237 15.641 25.512 -4.327 1.00 10.59 C ATOM 189 OG1 THR A 237 14.537 25.939 -5.147 1.00 8.23 O ATOM 190 CG2 THR A 237 16.591 24.628 -5.135 1.00 15.19 C ATOM 191 HG1 THR A 237 14.017 25.148 -5.436 1.00 0.00 H ATOM 192 H THR A 237 14.260 23.242 -4.381 1.00 0.00 H ATOM 193 N ALA A 238 14.373 26.810 -1.984 1.00 7.06 N ATOM 194 CA ALA A 238 13.370 27.720 -1.434 1.00 9.16 C ATOM 195 C ALA A 238 12.302 28.048 -2.470 1.00 9.62 C ATOM 196 O ALA A 238 11.132 28.231 -2.125 1.00 10.34 O ATOM 197 CB ALA A 238 14.021 29.002 -0.908 1.00 8.59 C ATOM 198 H ALA A 238 15.376 27.084 -1.985 1.00 0.00 H ATOM 199 N PHE A 239 12.694 28.129 -3.740 1.00 7.80 N ATOM 200 CA PHE A 239 11.714 28.403 -4.798 1.00 10.74 C ATOM 201 C PHE A 239 10.745 27.235 -5.027 1.00 10.07 C ATOM 202 O PHE A 239 9.574 27.442 -5.347 1.00 7.53 O ATOM 203 CB PHE A 239 12.411 28.825 -6.100 1.00 9.16 C ATOM 204 CG PHE A 239 12.871 30.244 -6.070 1.00 10.15 C ATOM 205 CD1 PHE A 239 11.963 31.278 -6.259 1.00 12.43 C ATOM 206 CD2 PHE A 239 14.197 30.553 -5.790 1.00 14.27 C ATOM 207 CE1 PHE A 239 12.380 32.612 -6.210 1.00 11.24 C ATOM 208 CE2 PHE A 239 14.616 31.882 -5.737 1.00 17.83 C ATOM 209 CZ PHE A 239 13.705 32.906 -5.938 1.00 15.57 C ATOM 210 H PHE A 239 13.697 27.998 -3.983 1.00 0.00 H ATOM 211 N HIS A 240 11.228 26.013 -4.853 1.00 10.06 N ATOM 212 CA HIS A 240 10.333 24.861 -4.917 1.00 6.67 C ATOM 213 C HIS A 240 9.282 24.942 -3.810 1.00 9.60 C ATOM 214 O HIS A 240 8.106 24.655 -4.036 1.00 8.90 O ATOM 215 CB HIS A 240 11.109 23.542 -4.846 1.00 12.81 C ATOM 216 CG HIS A 240 11.934 23.268 -6.068 1.00 14.33 C ATOM 217 ND1 HIS A 240 13.189 23.813 -6.260 1.00 9.57 N ATOM 218 CD2 HIS A 240 11.678 22.516 -7.166 1.00 12.56 C ATOM 219 CE1 HIS A 240 13.668 23.407 -7.421 1.00 9.40 C ATOM 220 NE2 HIS A 240 12.774 22.613 -7.989 1.00 11.42 N ATOM 221 H HIS A 240 12.243 25.875 -4.671 1.00 0.00 H ATOM 222 N GLN A 241 9.694 25.357 -2.618 1.00 8.48 N ATOM 223 CA GLN A 241 8.734 25.524 -1.532 1.00 9.45 C ATOM 224 C GLN A 241 7.781 26.686 -1.806 1.00 9.10 C ATOM 225 O GLN A 241 6.599 26.620 -1.467 1.00 8.14 O ATOM 226 CB GLN A 241 9.445 25.699 -0.189 1.00 8.13 C ATOM 227 CG GLN A 241 8.517 25.681 0.994 1.00 10.50 C ATOM 228 CD GLN A 241 7.641 24.441 1.074 1.00 16.51 C ATOM 229 OE1 GLN A 241 8.006 23.363 0.595 1.00 20.22 O ATOM 230 NE2 GLN A 241 6.471 24.592 1.682 1.00 12.92 N ATOM 231 HE22 GLN A 241 6.203 25.518 2.071 1.00 0.00 H ATOM 232 HE21 GLN A 241 5.822 23.784 1.769 1.00 0.00 H ATOM 233 H GLN A 241 10.701 25.563 -2.458 1.00 0.00 H ATOM 234 N LEU A 242 8.291 27.764 -2.400 1.00 7.98 N ATOM 235 CA LEU A 242 7.414 28.873 -2.740 1.00 5.88 C ATOM 236 C LEU A 242 6.338 28.403 -3.740 1.00 9.21 C ATOM 237 O LEU A 242 5.177 28.784 -3.617 1.00 9.08 O ATOM 238 CB LEU A 242 8.216 30.087 -3.256 1.00 5.55 C ATOM 239 CG LEU A 242 7.371 31.235 -3.813 1.00 7.61 C ATOM 240 CD1 LEU A 242 6.475 31.807 -2.717 1.00 8.70 C ATOM 241 CD2 LEU A 242 8.265 32.336 -4.396 1.00 6.41 C ATOM 242 H LEU A 242 9.307 27.812 -2.618 1.00 0.00 H ATOM 243 N VAL A 243 6.716 27.535 -4.682 1.00 8.43 N ATOM 244 CA VAL A 243 5.748 26.930 -5.595 1.00 8.44 C ATOM 245 C VAL A 243 4.663 26.182 -4.811 1.00 7.39 C ATOM 246 O VAL A 243 3.458 26.342 -5.072 1.00 7.43 O ATOM 247 CB VAL A 243 6.433 25.962 -6.593 1.00 6.24 C ATOM 248 CG1 VAL A 243 5.391 25.090 -7.328 1.00 6.96 C ATOM 249 CG2 VAL A 243 7.279 26.733 -7.595 1.00 5.84 C ATOM 250 H VAL A 243 7.722 27.284 -4.768 1.00 0.00 H ATOM 251 N GLN A 244 5.090 25.370 -3.843 1.00 11.04 N ATOM 252 CA GLN A 244 4.157 24.624 -2.998 1.00 10.86 C ATOM 253 C GLN A 244 3.157 25.542 -2.309 1.00 12.49 C ATOM 254 O GLN A 244 1.957 25.247 -2.249 1.00 10.31 O ATOM 255 CB GLN A 244 4.928 23.869 -1.919 1.00 15.22 C ATOM 256 CG GLN A 244 5.715 22.688 -2.431 1.00 20.76 C ATOM 257 CD GLN A 244 4.884 21.423 -2.454 1.00 27.97 C ATOM 258 OE1 GLN A 244 3.708 21.445 -2.812 1.00 27.14 O ATOM 259 NE2 GLN A 244 5.490 20.315 -2.055 1.00 32.07 N ATOM 260 HE22 GLN A 244 6.487 20.345 -1.761 1.00 0.00 H ATOM 261 HE21 GLN A 244 4.969 19.415 -2.036 1.00 0.00 H ATOM 262 H GLN A 244 6.112 25.264 -3.685 1.00 0.00 H ATOM 263 N VAL A 245 3.663 26.647 -1.776 1.00 7.71 N ATOM 264 CA VAL A 245 2.838 27.587 -1.027 1.00 6.48 C ATOM 265 C VAL A 245 1.857 28.310 -1.947 1.00 6.58 C ATOM 266 O VAL A 245 0.685 28.504 -1.615 1.00 8.63 O ATOM 267 CB VAL A 245 3.728 28.620 -0.293 1.00 11.07 C ATOM 268 CG1 VAL A 245 2.895 29.795 0.221 1.00 10.53 C ATOM 269 CG2 VAL A 245 4.475 27.938 0.850 1.00 13.11 C ATOM 270 H VAL A 245 4.676 26.848 -1.896 1.00 0.00 H ATOM 271 N ILE A 246 2.359 28.739 -3.096 1.00 9.11 N ATOM 272 CA ILE A 246 1.536 29.409 -4.091 1.00 9.04 C ATOM 273 C ILE A 246 0.419 28.496 -4.576 1.00 10.84 C ATOM 274 O ILE A 246 -0.715 28.931 -4.730 1.00 8.47 O ATOM 275 CB ILE A 246 2.397 29.891 -5.282 1.00 11.98 C ATOM 276 CG1 ILE A 246 3.201 31.125 -4.877 1.00 10.59 C ATOM 277 CG2 ILE A 246 1.532 30.190 -6.491 1.00 8.37 C ATOM 278 CD1 ILE A 246 4.315 31.476 -5.883 1.00 12.77 C ATOM 279 H ILE A 246 3.370 28.593 -3.292 1.00 0.00 H ATOM 280 N CYS A 247 0.729 27.220 -4.783 1.00 7.72 N ATOM 281 CA CYS A 247 -0.281 26.287 -5.263 1.00 11.65 C ATOM 282 C CYS A 247 -1.312 25.948 -4.187 1.00 8.16 C ATOM 283 O CYS A 247 -2.501 25.823 -4.479 1.00 10.26 O ATOM 284 CB CYS A 247 0.363 25.010 -5.822 1.00 11.05 C ATOM 285 SG CYS A 247 1.296 25.289 -7.360 1.00 14.53 S ATOM 286 H CYS A 247 1.697 26.886 -4.601 1.00 0.00 H ATOM 287 N LYS A 248 -0.868 25.811 -2.945 1.00 8.08 N ATOM 288 CA LYS A 248 -1.772 25.459 -1.858 1.00 8.70 C ATOM 289 C LYS A 248 -2.715 26.633 -1.562 1.00 16.73 C ATOM 290 O LYS A 248 -3.940 26.462 -1.467 1.00 10.60 O ATOM 291 CB LYS A 248 -0.968 25.039 -0.609 1.00 9.84 C ATOM 292 CG LYS A 248 -1.790 24.894 0.678 1.00 16.70 C ATOM 293 CD LYS A 248 -2.825 23.783 0.558 1.00 25.59 C ATOM 294 CE LYS A 248 -3.363 23.359 1.936 1.00 31.10 C ATOM 295 NZ LYS A 248 -3.905 24.489 2.747 1.00 30.82 N ATOM 296 HZ1 LYS A 248 -3.153 25.188 2.911 1.00 0.00 H ATOM 297 HZ2 LYS A 248 -4.691 24.937 2.234 1.00 0.00 H ATOM 298 HZ3 LYS A 248 -4.248 24.126 3.659 1.00 0.00 H ATOM 299 H LYS A 248 0.142 25.957 -2.744 1.00 0.00 H ATOM 300 N LEU A 249 -2.147 27.828 -1.447 1.00 7.55 N ATOM 301 CA LEU A 249 -2.959 29.016 -1.158 1.00 9.76 C ATOM 302 C LEU A 249 -3.829 29.370 -2.362 1.00 8.16 C ATOM 303 O LEU A 249 -4.958 29.840 -2.210 1.00 9.76 O ATOM 304 CB LEU A 249 -2.087 30.211 -0.758 1.00 13.35 C ATOM 305 CG LEU A 249 -1.289 30.126 0.546 1.00 25.21 C ATOM 306 CD1 LEU A 249 -0.919 31.526 1.029 1.00 22.72 C ATOM 307 CD2 LEU A 249 -2.050 29.367 1.621 1.00 28.70 C ATOM 308 H LEU A 249 -1.118 27.923 -1.563 1.00 0.00 H ATOM 309 N GLY A 250 -3.287 29.135 -3.554 1.00 8.19 N ATOM 310 CA GLY A 250 -4.018 29.308 -4.792 1.00 8.39 C ATOM 311 C GLY A 250 -5.201 28.371 -4.885 1.00 11.60 C ATOM 312 O GLY A 250 -6.280 28.773 -5.315 1.00 9.20 O ATOM 313 H GLY A 250 -2.299 28.814 -3.598 1.00 0.00 H ATOM 314 N LYS A 251 -4.997 27.114 -4.495 1.00 9.17 N ATOM 315 CA LYS A 251 -6.074 26.123 -4.515 1.00 12.05 C ATOM 316 C LYS A 251 -7.196 26.554 -3.575 1.00 10.60 C ATOM 317 O LYS A 251 -8.374 26.557 -3.947 1.00 11.37 O ATOM 318 CB LYS A 251 -5.537 24.754 -4.091 1.00 15.20 C ATOM 319 CG LYS A 251 -6.589 23.657 -4.023 1.00 19.38 C ATOM 320 CD LYS A 251 -5.954 22.342 -3.631 1.00 27.57 C ATOM 321 CE LYS A 251 -6.967 21.211 -3.664 1.00 33.71 C ATOM 322 NZ LYS A 251 -6.308 19.885 -3.496 1.00 43.43 N ATOM 323 HZ1 LYS A 251 -5.624 19.739 -4.266 1.00 0.00 H ATOM 324 HZ2 LYS A 251 -5.813 19.859 -2.582 1.00 0.00 H ATOM 325 HZ3 LYS A 251 -7.028 19.135 -3.523 1.00 0.00 H ATOM 326 H LYS A 251 -4.051 26.830 -4.169 1.00 0.00 H ATOM 327 N ASP A 252 -6.805 26.967 -2.374 1.00 11.53 N ATOM 328 CA ASP A 252 -7.739 27.283 -1.300 1.00 16.90 C ATOM 329 C ASP A 252 -8.542 28.543 -1.592 1.00 15.17 C ATOM 330 O ASP A 252 -9.577 28.782 -0.974 1.00 14.03 O ATOM 331 CB ASP A 252 -6.991 27.443 0.029 1.00 17.98 C ATOM 332 CG ASP A 252 -6.450 26.115 0.580 1.00 23.38 C ATOM 333 OD1 ASP A 252 -6.874 25.027 0.122 1.00 21.32 O ATOM 334 OD2 ASP A 252 -5.603 26.176 1.495 1.00 23.29 O ATOM 335 H ASP A 252 -5.786 27.069 -2.192 1.00 0.00 H ATOM 336 N SER A 253 -8.061 29.342 -2.534 1.00 11.32 N ATOM 337 CA SER A 253 -8.758 30.561 -2.943 1.00 9.25 C ATOM 338 C SER A 253 -9.179 30.519 -4.416 1.00 9.63 C ATOM 339 O SER A 253 -9.395 31.566 -5.035 1.00 9.96 O ATOM 340 CB SER A 253 -7.891 31.787 -2.653 1.00 14.84 C ATOM 341 OG SER A 253 -7.856 32.036 -1.252 1.00 25.21 O ATOM 342 HG SER A 253 -7.475 31.249 -0.788 1.00 0.00 H ATOM 343 H SER A 253 -7.162 29.095 -2.995 1.00 0.00 H ATOM 344 N ASN A 254 -9.295 29.307 -4.964 1.00 9.73 N ATOM 345 CA ASN A 254 -9.792 29.104 -6.329 1.00 10.26 C ATOM 346 C ASN A 254 -9.124 30.024 -7.353 1.00 10.18 C ATOM 347 O ASN A 254 -9.771 30.520 -8.276 1.00 10.81 O ATOM 348 CB ASN A 254 -11.318 29.272 -6.391 1.00 11.11 C ATOM 349 CG ASN A 254 -12.064 27.987 -6.043 1.00 32.18 C ATOM 350 OD1 ASN A 254 -12.270 27.679 -4.877 1.00 35.62 O ATOM 351 ND2 ASN A 254 -12.466 27.236 -7.056 1.00 23.30 N ATOM 352 HD22 ASN A 254 -12.271 27.533 -8.033 1.00 0.00 H ATOM 353 HD21 ASN A 254 -12.977 26.348 -6.875 1.00 0.00 H ATOM 354 H ASN A 254 -9.023 28.476 -4.402 1.00 0.00 H ATOM 355 N SER A 255 -7.826 30.238 -7.174 1.00 11.87 N ATOM 356 CA SER A 255 -7.087 31.212 -7.973 1.00 12.35 C ATOM 357 C SER A 255 -5.976 30.599 -8.813 1.00 15.17 C ATOM 358 O SER A 255 -5.103 31.313 -9.297 1.00 8.96 O ATOM 359 CB SER A 255 -6.513 32.293 -7.053 1.00 13.31 C ATOM 360 OG SER A 255 -7.573 32.988 -6.409 1.00 14.30 O ATOM 361 HG SER A 255 -8.107 32.350 -5.873 1.00 0.00 H ATOM 362 H SER A 255 -7.321 29.696 -6.444 1.00 0.00 H ATOM 363 N LEU A 256 -5.992 29.281 -8.992 1.00 9.14 N ATOM 364 CA LEU A 256 -4.920 28.652 -9.770 1.00 11.64 C ATOM 365 C LEU A 256 -4.826 29.163 -11.214 1.00 9.71 C ATOM 366 O LEU A 256 -3.735 29.214 -11.797 1.00 10.46 O ATOM 367 CB LEU A 256 -5.056 27.129 -9.761 1.00 9.88 C ATOM 368 CG LEU A 256 -4.978 26.451 -8.390 1.00 14.08 C ATOM 369 CD1 LEU A 256 -5.409 24.998 -8.506 1.00 11.65 C ATOM 370 CD2 LEU A 256 -3.583 26.562 -7.787 1.00 12.57 C ATOM 371 H LEU A 256 -6.755 28.704 -8.585 1.00 0.00 H ATOM 372 N ASP A 257 -5.962 29.530 -11.798 1.00 9.96 N ATOM 373 CA ASP A 257 -5.945 30.028 -13.170 1.00 10.44 C ATOM 374 C ASP A 257 -5.214 31.362 -13.318 1.00 10.24 C ATOM 375 O ASP A 257 -4.350 31.497 -14.187 1.00 10.19 O ATOM 376 CB ASP A 257 -7.345 30.135 -13.758 1.00 11.41 C ATOM 377 CG ASP A 257 -7.324 30.658 -15.169 1.00 22.44 C ATOM 378 OD1 ASP A 257 -7.327 31.901 -15.340 1.00 20.51 O ATOM 379 OD2 ASP A 257 -7.284 29.828 -16.106 1.00 17.87 O ATOM 380 H ASP A 257 -6.861 29.463 -11.279 1.00 0.00 H ATOM 381 N ILE A 258 -5.550 32.346 -12.486 1.00 10.24 N ATOM 382 CA ILE A 258 -4.867 33.641 -12.603 1.00 10.26 C ATOM 383 C ILE A 258 -3.390 33.516 -12.232 1.00 9.51 C ATOM 384 O ILE A 258 -2.533 34.151 -12.846 1.00 10.92 O ATOM 385 CB ILE A 258 -5.571 34.774 -11.810 1.00 10.66 C ATOM 386 CG1 ILE A 258 -4.881 36.112 -12.073 1.00 13.42 C ATOM 387 CG2 ILE A 258 -5.598 34.462 -10.316 1.00 14.67 C ATOM 388 CD1 ILE A 258 -4.746 36.469 -13.551 1.00 15.10 C ATOM 389 H ILE A 258 -6.285 32.200 -11.765 1.00 0.00 H ATOM 390 N ILE A 259 -3.083 32.674 -11.247 1.00 8.93 N ATOM 391 CA ILE A 259 -1.685 32.426 -10.892 1.00 11.78 C ATOM 392 C ILE A 259 -0.904 31.849 -12.069 1.00 12.23 C ATOM 393 O ILE A 259 0.211 32.279 -12.363 1.00 11.21 O ATOM 394 CB ILE A 259 -1.563 31.513 -9.658 1.00 9.07 C ATOM 395 CG1 ILE A 259 -2.063 32.269 -8.421 1.00 10.17 C ATOM 396 CG2 ILE A 259 -0.109 31.043 -9.466 1.00 13.10 C ATOM 397 CD1 ILE A 259 -2.346 31.366 -7.201 1.00 10.79 C ATOM 398 H ILE A 259 -3.842 32.189 -10.726 1.00 0.00 H ATOM 399 N HIS A 260 -1.500 30.884 -12.759 1.00 10.49 N ATOM 400 CA HIS A 260 -0.836 30.292 -13.916 1.00 12.48 C ATOM 401 C HIS A 260 -0.664 31.348 -15.005 1.00 9.10 C ATOM 402 O HIS A 260 0.389 31.420 -15.654 1.00 10.40 O ATOM 403 CB HIS A 260 -1.645 29.108 -14.459 1.00 9.74 C ATOM 404 CG HIS A 260 -1.045 28.478 -15.685 1.00 15.46 C ATOM 405 ND1 HIS A 260 -1.628 28.568 -16.932 1.00 22.97 N ATOM 406 CD2 HIS A 260 0.084 27.750 -15.850 1.00 13.18 C ATOM 407 CE1 HIS A 260 -0.882 27.922 -17.813 1.00 19.90 C ATOM 408 NE2 HIS A 260 0.165 27.420 -17.183 1.00 16.89 N ATOM 409 H HIS A 260 -2.443 30.549 -12.474 1.00 0.00 H ATOM 410 N ALA A 261 -1.702 32.159 -15.207 1.00 9.61 N ATOM 411 CA ALA A 261 -1.673 33.214 -16.229 1.00 10.42 C ATOM 412 C ALA A 261 -0.580 34.242 -15.954 1.00 14.82 C ATOM 413 O ALA A 261 0.136 34.653 -16.867 1.00 10.18 O ATOM 414 CB ALA A 261 -3.043 33.906 -16.362 1.00 10.95 C ATOM 415 H ALA A 261 -2.556 32.042 -14.625 1.00 0.00 H ATOM 416 N GLU A 262 -0.444 34.657 -14.698 1.00 11.20 N ATOM 417 CA GLU A 262 0.616 35.602 -14.333 1.00 9.52 C ATOM 418 C GLU A 262 2.000 34.971 -14.504 1.00 9.18 C ATOM 419 O GLU A 262 2.933 35.619 -14.979 1.00 9.70 O ATOM 420 CB GLU A 262 0.445 36.075 -12.888 1.00 12.20 C ATOM 421 CG GLU A 262 -0.827 36.869 -12.637 1.00 9.98 C ATOM 422 CD GLU A 262 -0.706 38.338 -13.018 1.00 22.58 C ATOM 423 OE1 GLU A 262 0.406 38.792 -13.362 1.00 18.98 O ATOM 424 OE2 GLU A 262 -1.736 39.045 -12.975 1.00 19.82 O ATOM 425 H GLU A 262 -1.096 34.308 -13.967 1.00 0.00 H ATOM 426 N PHE A 263 2.128 33.702 -14.117 1.00 8.55 N ATOM 427 CA PHE A 263 3.388 32.996 -14.274 1.00 9.79 C ATOM 428 C PHE A 263 3.828 32.970 -15.732 1.00 8.55 C ATOM 429 O PHE A 263 4.969 33.269 -16.040 1.00 9.01 O ATOM 430 CB PHE A 263 3.290 31.565 -13.746 1.00 8.96 C ATOM 431 CG PHE A 263 4.594 30.804 -13.800 1.00 7.75 C ATOM 432 CD1 PHE A 263 5.641 31.140 -12.967 1.00 7.57 C ATOM 433 CD2 PHE A 263 4.743 29.711 -14.645 1.00 13.40 C ATOM 434 CE1 PHE A 263 6.832 30.433 -12.992 1.00 12.66 C ATOM 435 CE2 PHE A 263 5.927 29.008 -14.686 1.00 10.08 C ATOM 436 CZ PHE A 263 6.973 29.360 -13.854 1.00 8.88 C ATOM 437 H PHE A 263 1.314 33.210 -13.696 1.00 0.00 H ATOM 438 N GLN A 264 2.914 32.623 -16.624 1.00 8.91 N ATOM 439 CA GLN A 264 3.264 32.520 -18.034 1.00 9.58 C ATOM 440 C GLN A 264 3.512 33.897 -18.633 1.00 14.35 C ATOM 441 O GLN A 264 4.377 34.060 -19.486 1.00 12.45 O ATOM 442 CB GLN A 264 2.165 31.780 -18.803 1.00 14.79 C ATOM 443 CG GLN A 264 1.966 30.324 -18.338 1.00 15.23 C ATOM 444 CD GLN A 264 3.137 29.402 -18.706 1.00 25.33 C ATOM 445 OE1 GLN A 264 3.991 29.750 -19.522 1.00 27.15 O ATOM 446 NE2 GLN A 264 3.170 28.220 -18.100 1.00 25.21 N ATOM 447 HE22 GLN A 264 2.429 27.965 -17.417 1.00 0.00 H ATOM 448 HE21 GLN A 264 3.937 27.550 -18.309 1.00 0.00 H ATOM 449 H GLN A 264 1.941 32.423 -16.317 1.00 0.00 H ATOM 450 N ALA A 265 2.747 34.884 -18.188 1.00 10.04 N ATOM 451 CA ALA A 265 2.894 36.233 -18.726 1.00 10.69 C ATOM 452 C ALA A 265 4.264 36.809 -18.386 1.00 10.52 C ATOM 453 O ALA A 265 4.886 37.485 -19.222 1.00 12.30 O ATOM 454 CB ALA A 265 1.789 37.145 -18.220 1.00 12.84 C ATOM 455 H ALA A 265 2.038 34.696 -17.451 1.00 0.00 H ATOM 456 N SER A 266 4.725 36.551 -17.162 1.00 9.94 N ATOM 457 CA SER A 266 6.055 36.985 -16.734 1.00 9.86 C ATOM 458 C SER A 266 7.162 36.309 -17.521 1.00 10.41 C ATOM 459 O SER A 266 8.125 36.963 -17.926 1.00 10.21 O ATOM 460 CB SER A 266 6.278 36.721 -15.242 1.00 15.92 C ATOM 461 OG SER A 266 5.501 37.589 -14.444 1.00 19.92 O ATOM 462 HG SER A 266 4.542 37.453 -14.648 1.00 0.00 H ATOM 463 H SER A 266 4.124 36.028 -16.494 1.00 0.00 H ATOM 464 N LEU A 267 7.040 35.000 -17.735 1.00 11.41 N ATOM 465 CA LEU A 267 8.042 34.313 -18.560 1.00 9.32 C ATOM 466 C LEU A 267 8.045 34.900 -19.964 1.00 9.93 C ATOM 467 O LEU A 267 9.110 35.117 -20.558 1.00 10.99 O ATOM 468 CB LEU A 267 7.749 32.823 -18.648 1.00 10.56 C ATOM 469 CG LEU A 267 7.858 32.024 -17.357 1.00 8.57 C ATOM 470 CD1 LEU A 267 7.521 30.568 -17.646 1.00 18.05 C ATOM 471 CD2 LEU A 267 9.245 32.147 -16.749 1.00 10.27 C ATOM 472 H LEU A 267 6.245 34.471 -17.323 1.00 0.00 H ATOM 473 N ALA A 268 6.847 35.175 -20.482 1.00 10.29 N ATOM 474 CA ALA A 268 6.718 35.673 -21.849 1.00 11.94 C ATOM 475 C ALA A 268 7.367 37.041 -22.004 1.00 16.73 C ATOM 476 O ALA A 268 7.786 37.404 -23.100 1.00 12.21 O ATOM 477 CB ALA A 268 5.252 35.731 -22.274 1.00 11.74 C ATOM 478 H ALA A 268 5.994 35.033 -19.905 1.00 0.00 H ATOM 479 N GLU A 269 7.434 37.804 -20.913 1.00 12.87 N ATOM 480 CA GLU A 269 8.073 39.129 -20.941 1.00 12.12 C ATOM 481 C GLU A 269 9.587 39.037 -20.815 1.00 11.95 C ATOM 482 O GLU A 269 10.284 40.033 -20.981 1.00 12.61 O ATOM 483 CB GLU A 269 7.531 40.025 -19.823 1.00 29.92 C ATOM 484 CG GLU A 269 6.124 40.530 -20.053 1.00 36.89 C ATOM 485 CD GLU A 269 5.991 41.290 -21.363 1.00 54.34 C ATOM 486 OE1 GLU A 269 6.853 42.156 -21.645 1.00 57.18 O ATOM 487 OE2 GLU A 269 5.027 41.015 -22.114 1.00 60.24 O ATOM 488 H GLU A 269 7.026 37.455 -20.022 1.00 0.00 H ATOM 489 N GLY A 270 10.089 37.845 -20.498 1.00 11.22 N ATOM 490 CA GLY A 270 11.521 37.610 -20.410 1.00 11.15 C ATOM 491 C GLY A 270 12.052 37.437 -18.997 1.00 11.37 C ATOM 492 O GLY A 270 13.253 37.290 -18.813 1.00 11.76 O ATOM 493 H GLY A 270 9.437 37.058 -20.307 1.00 0.00 H ATOM 494 N ASP A 271 11.165 37.447 -18.002 1.00 12.13 N ATOM 495 CA ASP A 271 11.579 37.317 -16.601 1.00 12.84 C ATOM 496 C ASP A 271 12.073 35.907 -16.341 1.00 10.63 C ATOM 497 O ASP A 271 11.625 34.956 -16.980 1.00 13.15 O ATOM 498 CB ASP A 271 10.403 37.585 -15.653 1.00 13.51 C ATOM 499 CG ASP A 271 10.094 39.073 -15.483 1.00 25.89 C ATOM 500 OD1 ASP A 271 11.026 39.901 -15.498 1.00 25.49 O ATOM 501 OD2 ASP A 271 8.904 39.411 -15.311 1.00 31.71 O ATOM 502 H ASP A 271 10.154 37.550 -18.225 1.00 0.00 H ATOM 503 N SER A 272 12.987 35.762 -15.396 1.00 10.73 N ATOM 504 CA SER A 272 13.389 34.429 -14.961 1.00 13.74 C ATOM 505 C SER A 272 12.196 33.804 -14.249 1.00 15.32 C ATOM 506 O SER A 272 11.299 34.516 -13.782 1.00 8.87 O ATOM 507 CB SER A 272 14.570 34.518 -13.996 1.00 12.14 C ATOM 508 OG SER A 272 14.180 35.196 -12.818 1.00 12.93 O ATOM 509 HG SER A 272 13.440 34.702 -12.384 1.00 0.00 H ATOM 510 H SER A 272 13.421 36.601 -14.961 1.00 0.00 H ATOM 511 N PRO A 273 12.165 32.470 -14.162 1.00 8.56 N ATOM 512 CA PRO A 273 11.041 31.848 -13.455 1.00 14.07 C ATOM 513 C PRO A 273 11.035 32.220 -11.971 1.00 13.16 C ATOM 514 O PRO A 273 9.959 32.328 -11.373 1.00 10.25 O ATOM 515 CB PRO A 273 11.280 30.342 -13.657 1.00 11.49 C ATOM 516 CG PRO A 273 12.727 30.225 -14.044 1.00 19.43 C ATOM 517 CD PRO A 273 13.065 31.481 -14.776 1.00 16.64 C ATOM 518 N GLN A 274 12.214 32.438 -11.390 1.00 16.12 N ATOM 519 CA GLN A 274 12.284 32.916 -10.015 1.00 16.01 C ATOM 520 C GLN A 274 11.591 34.269 -9.864 1.00 12.28 C ATOM 521 O GLN A 274 10.770 34.460 -8.965 1.00 9.74 O ATOM 522 CB GLN A 274 13.733 32.994 -9.529 1.00 15.91 C ATOM 523 CG GLN A 274 14.447 31.644 -9.459 1.00 10.85 C ATOM 524 CD GLN A 274 15.127 31.248 -10.767 1.00 12.45 C ATOM 525 OE1 GLN A 274 14.923 31.873 -11.804 1.00 15.29 O ATOM 526 NE2 GLN A 274 15.951 30.204 -10.714 1.00 11.26 N ATOM 527 HE22 GLN A 274 16.096 29.701 -9.815 1.00 0.00 H ATOM 528 HE21 GLN A 274 16.449 29.891 -11.571 1.00 0.00 H ATOM 529 H GLN A 274 13.091 32.266 -11.922 1.00 0.00 H ATOM 530 N CYS A 275 11.914 35.210 -10.743 1.00 9.03 N ATOM 531 CA CYS A 275 11.286 36.522 -10.715 1.00 9.35 C ATOM 532 C CYS A 275 9.775 36.405 -10.935 1.00 10.30 C ATOM 533 O CYS A 275 8.989 37.140 -10.327 1.00 9.53 O ATOM 534 CB CYS A 275 11.935 37.427 -11.770 1.00 11.25 C ATOM 535 SG CYS A 275 11.215 39.063 -11.941 1.00 10.61 S ATOM 536 H CYS A 275 12.632 35.005 -11.467 1.00 0.00 H ATOM 537 N ALA A 276 9.375 35.471 -11.797 1.00 8.59 N ATOM 538 CA ALA A 276 7.955 35.276 -12.077 1.00 12.33 C ATOM 539 C ALA A 276 7.182 34.830 -10.830 1.00 11.48 C ATOM 540 O ALA A 276 6.034 35.237 -10.619 1.00 9.51 O ATOM 541 CB ALA A 276 7.765 34.280 -13.211 1.00 13.21 C ATOM 542 H ALA A 276 10.081 34.875 -12.275 1.00 0.00 H ATOM 543 N LEU A 277 7.813 33.986 -10.016 1.00 12.05 N ATOM 544 CA LEU A 277 7.189 33.500 -8.791 1.00 10.70 C ATOM 545 C LEU A 277 7.075 34.611 -7.759 1.00 10.98 C ATOM 546 O LEU A 277 6.066 34.708 -7.070 1.00 12.62 O ATOM 547 CB LEU A 277 7.974 32.319 -8.208 1.00 7.55 C ATOM 548 CG LEU A 277 7.945 31.037 -9.059 1.00 13.61 C ATOM 549 CD1 LEU A 277 8.894 29.990 -8.495 1.00 7.55 C ATOM 550 CD2 LEU A 277 6.522 30.472 -9.163 1.00 13.43 C ATOM 551 H LEU A 277 8.772 33.666 -10.259 1.00 0.00 H ATOM 552 N ILE A 278 8.105 35.444 -7.653 1.00 8.38 N ATOM 553 CA ILE A 278 8.074 36.550 -6.691 1.00 8.88 C ATOM 554 C ILE A 278 7.011 37.564 -7.126 1.00 9.16 C ATOM 555 O ILE A 278 6.282 38.124 -6.293 1.00 15.40 O ATOM 556 CB ILE A 278 9.455 37.237 -6.582 1.00 13.95 C ATOM 557 CG1 ILE A 278 10.476 36.302 -5.912 1.00 15.99 C ATOM 558 CG2 ILE A 278 9.350 38.629 -5.879 1.00 10.30 C ATOM 559 CD1 ILE A 278 10.022 35.682 -4.571 1.00 12.91 C ATOM 560 H ILE A 278 8.940 35.310 -8.258 1.00 0.00 H ATOM 561 N GLN A 279 6.913 37.787 -8.433 1.00 10.78 N ATOM 562 CA GLN A 279 5.918 38.729 -8.957 1.00 17.42 C ATOM 563 C GLN A 279 4.490 38.243 -8.695 1.00 16.61 C ATOM 564 O GLN A 279 3.597 39.051 -8.456 1.00 13.11 O ATOM 565 CB GLN A 279 6.152 39.056 -10.437 1.00 14.00 C ATOM 566 CG GLN A 279 7.375 39.958 -10.678 1.00 18.67 C ATOM 567 CD GLN A 279 7.254 41.327 -9.998 1.00 32.15 C ATOM 568 OE1 GLN A 279 6.230 41.996 -10.109 1.00 40.29 O ATOM 569 NE2 GLN A 279 8.300 41.736 -9.284 1.00 29.92 N ATOM 570 HE22 GLN A 279 9.149 41.139 -9.216 1.00 0.00 H ATOM 571 HE21 GLN A 279 8.269 42.653 -8.794 1.00 0.00 H ATOM 572 H GLN A 279 7.547 37.289 -9.090 1.00 0.00 H ATOM 573 N ILE A 280 4.279 36.930 -8.709 1.00 13.17 N ATOM 574 CA ILE A 280 2.974 36.406 -8.316 1.00 11.37 C ATOM 575 C ILE A 280 2.643 36.846 -6.887 1.00 11.14 C ATOM 576 O ILE A 280 1.518 37.269 -6.601 1.00 10.62 O ATOM 577 CB ILE A 280 2.915 34.868 -8.440 1.00 10.36 C ATOM 578 CG1 ILE A 280 2.681 34.457 -9.903 1.00 11.09 C ATOM 579 CG2 ILE A 280 1.815 34.296 -7.558 1.00 14.27 C ATOM 580 CD1 ILE A 280 3.257 33.096 -10.231 1.00 12.43 C ATOM 581 H ILE A 280 5.038 36.281 -8.998 1.00 0.00 H ATOM 582 N THR A 281 3.619 36.763 -5.984 1.00 8.89 N ATOM 583 CA THR A 281 3.360 37.162 -4.601 1.00 12.54 C ATOM 584 C THR A 281 3.040 38.656 -4.487 1.00 16.20 C ATOM 585 O THR A 281 2.420 39.091 -3.518 1.00 15.76 O ATOM 586 CB THR A 281 4.519 36.817 -3.649 1.00 11.40 C ATOM 587 OG1 THR A 281 5.627 37.678 -3.924 1.00 16.21 O ATOM 588 CG2 THR A 281 4.947 35.351 -3.808 1.00 9.77 C ATOM 589 HG1 THR A 281 5.918 37.550 -4.862 1.00 0.00 H ATOM 590 H THR A 281 4.560 36.416 -6.261 1.00 0.00 H ATOM 591 N LYS A 282 3.458 39.441 -5.472 1.00 13.66 N ATOM 592 CA LYS A 282 3.221 40.883 -5.415 1.00 21.63 C ATOM 593 C LYS A 282 2.020 41.334 -6.246 1.00 20.30 C ATOM 594 O LYS A 282 1.464 42.405 -6.003 1.00 30.30 O ATOM 595 CB LYS A 282 4.484 41.662 -5.823 1.00 24.10 C ATOM 596 CG LYS A 282 5.568 41.676 -4.743 1.00 22.10 C ATOM 597 CD LYS A 282 6.970 41.694 -5.341 1.00 27.28 C ATOM 598 CE LYS A 282 8.028 41.654 -4.251 1.00 34.67 C ATOM 599 NZ LYS A 282 7.999 42.868 -3.381 1.00 41.62 N ATOM 600 HZ1 LYS A 282 8.169 43.714 -3.962 1.00 0.00 H ATOM 601 HZ2 LYS A 282 7.069 42.942 -2.922 1.00 0.00 H ATOM 602 HZ3 LYS A 282 8.740 42.790 -2.655 1.00 0.00 H ATOM 603 H LYS A 282 3.956 39.029 -6.287 1.00 0.00 H ATOM 604 N ARG A 283 1.623 40.521 -7.216 1.00 17.89 N ATOM 605 CA ARG A 283 0.591 40.923 -8.173 1.00 21.34 C ATOM 606 C ARG A 283 -0.758 40.241 -7.955 1.00 25.60 C ATOM 607 O ARG A 283 -1.801 40.825 -8.230 1.00 26.92 O ATOM 608 CB ARG A 283 1.066 40.672 -9.604 1.00 23.14 C ATOM 609 CG ARG A 283 2.236 41.566 -10.035 1.00 31.83 C ATOM 610 CD ARG A 283 2.494 41.460 -11.541 1.00 36.35 C ATOM 611 NE ARG A 283 3.807 41.976 -11.922 1.00 40.61 N ATOM 612 CZ ARG A 283 4.652 41.355 -12.743 1.00 43.38 C ATOM 613 NH1 ARG A 283 4.330 40.185 -13.280 1.00 40.11 N ATOM 614 NH2 ARG A 283 5.825 41.906 -13.027 1.00 44.33 N ATOM 615 HE ARG A 283 4.102 42.891 -11.525 1.00 0.00 H ATOM 616 HH12 ARG A 283 4.995 39.706 -13.920 1.00 0.00 H ATOM 617 HH11 ARG A 283 3.413 39.747 -13.061 1.00 0.00 H ATOM 618 HH22 ARG A 283 6.485 41.422 -13.668 1.00 0.00 H ATOM 619 HH21 ARG A 283 6.084 42.822 -12.609 1.00 0.00 H ATOM 620 H ARG A 283 2.054 39.578 -7.298 1.00 0.00 H ATOM 621 N VAL A 284 -0.745 39.005 -7.472 1.00 12.66 N ATOM 622 CA VAL A 284 -2.001 38.294 -7.262 1.00 13.99 C ATOM 623 C VAL A 284 -2.507 38.634 -5.865 1.00 14.62 C ATOM 624 O VAL A 284 -1.815 38.388 -4.878 1.00 14.01 O ATOM 625 CB VAL A 284 -1.821 36.779 -7.424 1.00 10.68 C ATOM 626 CG1 VAL A 284 -3.153 36.075 -7.287 1.00 13.25 C ATOM 627 CG2 VAL A 284 -1.217 36.468 -8.787 1.00 11.96 C ATOM 628 H VAL A 284 0.159 38.544 -7.244 1.00 0.00 H ATOM 629 N PRO A 285 -3.718 39.209 -5.780 1.00 10.93 N ATOM 630 CA PRO A 285 -4.197 39.830 -4.541 1.00 19.46 C ATOM 631 C PRO A 285 -4.300 38.914 -3.318 1.00 13.88 C ATOM 632 O PRO A 285 -4.182 39.434 -2.214 1.00 12.51 O ATOM 633 CB PRO A 285 -5.564 40.426 -4.932 1.00 27.55 C ATOM 634 CG PRO A 285 -5.920 39.794 -6.234 1.00 31.09 C ATOM 635 CD PRO A 285 -4.633 39.452 -6.910 1.00 33.60 C ATOM 636 N ILE A 286 -4.457 37.601 -3.471 1.00 10.03 N ATOM 637 CA ILE A 286 -4.495 36.759 -2.272 1.00 12.28 C ATOM 638 C ILE A 286 -3.171 36.762 -1.483 1.00 16.74 C ATOM 639 O ILE A 286 -3.125 36.339 -0.323 1.00 16.84 O ATOM 640 CB ILE A 286 -4.891 35.286 -2.578 1.00 18.78 C ATOM 641 CG1 ILE A 286 -3.933 34.656 -3.583 1.00 17.36 C ATOM 642 CG2 ILE A 286 -6.330 35.196 -3.090 1.00 18.09 C ATOM 643 CD1 ILE A 286 -4.078 33.152 -3.670 1.00 17.22 C ATOM 644 H ILE A 286 -4.550 37.183 -4.419 1.00 0.00 H ATOM 645 N PHE A 287 -2.089 37.213 -2.106 1.00 11.69 N ATOM 646 CA PHE A 287 -0.788 37.164 -1.438 1.00 11.29 C ATOM 647 C PHE A 287 -0.395 38.515 -0.880 1.00 16.06 C ATOM 648 O PHE A 287 0.541 38.622 -0.086 1.00 17.60 O ATOM 649 CB PHE A 287 0.313 36.672 -2.388 1.00 12.86 C ATOM 650 CG PHE A 287 0.070 35.304 -2.941 1.00 12.61 C ATOM 651 CD1 PHE A 287 0.147 34.186 -2.120 1.00 11.76 C ATOM 652 CD2 PHE A 287 -0.246 35.128 -4.275 1.00 12.87 C ATOM 653 CE1 PHE A 287 -0.093 32.917 -2.618 1.00 11.84 C ATOM 654 CE2 PHE A 287 -0.479 33.851 -4.786 1.00 13.06 C ATOM 655 CZ PHE A 287 -0.403 32.745 -3.953 1.00 14.94 C ATOM 656 H PHE A 287 -2.166 37.601 -3.068 1.00 0.00 H ATOM 657 N GLN A 288 -1.108 39.552 -1.297 1.00 16.46 N ATOM 658 CA GLN A 288 -0.713 40.904 -0.940 1.00 16.53 C ATOM 659 C GLN A 288 -0.949 41.145 0.542 1.00 23.61 C ATOM 660 O GLN A 288 -2.054 40.942 1.050 1.00 20.97 O ATOM 661 CB GLN A 288 -1.452 41.929 -1.809 1.00 22.73 C ATOM 662 CG GLN A 288 -0.916 41.993 -3.242 1.00 25.56 C ATOM 663 CD GLN A 288 -1.923 42.566 -4.232 1.00 28.65 C ATOM 664 OE1 GLN A 288 -2.931 43.158 -3.843 1.00 23.70 O ATOM 665 NE2 GLN A 288 -1.656 42.379 -5.517 1.00 35.56 N ATOM 666 HE22 GLN A 288 -0.793 41.873 -5.800 1.00 0.00 H ATOM 667 HE21 GLN A 288 -2.310 42.738 -6.242 1.00 0.00 H ATOM 668 H GLN A 288 -1.954 39.397 -1.882 1.00 0.00 H ATOM 669 N ASP A 289 0.114 41.553 1.228 1.00 23.32 N ATOM 670 CA ASP A 289 0.084 41.772 2.671 1.00 26.39 C ATOM 671 C ASP A 289 -0.376 40.538 3.456 1.00 21.96 C ATOM 672 O ASP A 289 -0.919 40.669 4.548 1.00 21.40 O ATOM 673 CB ASP A 289 -0.801 42.978 3.010 1.00 38.04 C ATOM 674 CG ASP A 289 -0.284 43.768 4.191 1.00 44.91 C ATOM 675 OD1 ASP A 289 0.952 43.885 4.342 1.00 48.05 O ATOM 676 OD2 ASP A 289 -1.118 44.281 4.968 1.00 50.30 O ATOM 677 H ASP A 289 1.003 41.723 0.716 1.00 0.00 H ATOM 678 N ALA A 290 -0.155 39.345 2.904 1.00 20.07 N ATOM 679 CA ALA A 290 -0.579 38.109 3.564 1.00 18.80 C ATOM 680 C ALA A 290 0.548 37.518 4.408 1.00 18.92 C ATOM 681 O ALA A 290 1.721 37.649 4.066 1.00 13.44 O ATOM 682 CB ALA A 290 -1.054 37.084 2.547 1.00 21.23 C ATOM 683 H ALA A 290 0.329 39.291 1.985 1.00 0.00 H ATOM 684 N ALA A 291 0.177 36.869 5.507 1.00 18.51 N ATOM 685 CA ALA A 291 1.138 36.176 6.361 1.00 18.03 C ATOM 686 C ALA A 291 1.469 34.817 5.749 1.00 15.44 C ATOM 687 O ALA A 291 0.642 34.238 5.049 1.00 16.49 O ATOM 688 CB ALA A 291 0.574 36.015 7.764 1.00 18.43 C ATOM 689 H ALA A 291 -0.830 36.854 5.767 1.00 0.00 H ATOM 690 N PRO A 292 2.683 34.303 6.002 1.00 14.77 N ATOM 691 CA PRO A 292 3.030 32.991 5.440 1.00 13.59 C ATOM 692 C PRO A 292 2.252 31.884 6.146 1.00 11.23 C ATOM 693 O PRO A 292 1.957 31.998 7.342 1.00 11.00 O ATOM 694 CB PRO A 292 4.527 32.865 5.732 1.00 13.86 C ATOM 695 CG PRO A 292 4.758 33.764 6.929 1.00 15.46 C ATOM 696 CD PRO A 292 3.780 34.885 6.798 1.00 18.05 C ATOM 697 N PRO A 293 1.908 30.823 5.406 1.00 11.13 N ATOM 698 CA PRO A 293 1.168 29.726 6.019 1.00 8.98 C ATOM 699 C PRO A 293 2.067 29.010 7.004 1.00 14.89 C ATOM 700 O PRO A 293 3.289 29.024 6.846 1.00 10.30 O ATOM 701 CB PRO A 293 0.854 28.809 4.835 1.00 10.92 C ATOM 702 CG PRO A 293 1.932 29.120 3.818 1.00 10.40 C ATOM 703 CD PRO A 293 2.169 30.594 3.974 1.00 8.40 C ATOM 704 N VAL A 294 1.461 28.409 8.018 1.00 13.08 N ATOM 705 CA VAL A 294 2.199 27.598 8.974 1.00 11.59 C ATOM 706 C VAL A 294 2.132 26.150 8.502 1.00 11.59 C ATOM 707 O VAL A 294 1.058 25.640 8.157 1.00 11.58 O ATOM 708 CB VAL A 294 1.618 27.737 10.390 1.00 10.31 C ATOM 709 CG1 VAL A 294 2.302 26.762 11.361 1.00 10.93 C ATOM 710 CG2 VAL A 294 1.772 29.179 10.882 1.00 9.78 C ATOM 711 H VAL A 294 0.433 28.520 8.133 1.00 0.00 H ATOM 712 N ILE A 295 3.288 25.505 8.453 1.00 10.02 N ATOM 713 CA ILE A 295 3.359 24.113 8.047 1.00 10.88 C ATOM 714 C ILE A 295 3.956 23.295 9.182 1.00 11.61 C ATOM 715 O ILE A 295 5.108 23.492 9.562 1.00 11.43 O ATOM 716 CB ILE A 295 4.202 23.954 6.772 1.00 11.76 C ATOM 717 CG1 ILE A 295 3.583 24.756 5.622 1.00 11.09 C ATOM 718 CG2 ILE A 295 4.319 22.499 6.383 1.00 10.29 C ATOM 719 CD1 ILE A 295 4.404 24.729 4.344 1.00 15.80 C ATOM 720 H ILE A 295 4.162 26.006 8.711 1.00 0.00 H ATOM 721 N HIS A 296 3.167 22.385 9.738 1.00 12.84 N ATOM 722 CA HIS A 296 3.646 21.582 10.855 1.00 14.32 C ATOM 723 C HIS A 296 4.525 20.424 10.374 1.00 15.91 C ATOM 724 O HIS A 296 4.126 19.659 9.497 1.00 18.20 O ATOM 725 CB HIS A 296 2.487 21.048 11.704 1.00 20.81 C ATOM 726 CG HIS A 296 2.931 20.492 13.020 1.00 40.66 C ATOM 727 ND1 HIS A 296 3.175 21.290 14.118 1.00 46.43 N ATOM 728 CD2 HIS A 296 3.224 19.225 13.402 1.00 47.17 C ATOM 729 CE1 HIS A 296 3.579 20.537 15.125 1.00 48.18 C ATOM 730 NE2 HIS A 296 3.618 19.280 14.718 1.00 50.90 N ATOM 731 H HIS A 296 2.203 22.244 9.375 1.00 0.00 H ATOM 732 N ILE A 297 5.718 20.304 10.952 1.00 15.01 N ATOM 733 CA ILE A 297 6.648 19.220 10.628 1.00 15.71 C ATOM 734 C ILE A 297 7.259 18.659 11.900 1.00 17.29 C ATOM 735 O ILE A 297 7.178 19.278 12.962 1.00 18.86 O ATOM 736 CB ILE A 297 7.799 19.689 9.713 1.00 14.11 C ATOM 737 CG1 ILE A 297 8.628 20.760 10.423 1.00 15.27 C ATOM 738 CG2 ILE A 297 7.263 20.233 8.388 1.00 19.72 C ATOM 739 CD1 ILE A 297 9.783 21.251 9.590 1.00 17.53 C ATOM 740 H ILE A 297 6.001 21.009 11.663 1.00 0.00 H ATOM 741 N ARG A 298 7.879 17.488 11.796 1.00 22.45 N ATOM 742 CA ARG A 298 8.475 16.841 12.965 1.00 28.13 C ATOM 743 C ARG A 298 9.732 17.565 13.441 1.00 28.99 C ATOM 744 O ARG A 298 9.838 17.955 14.608 1.00 29.96 O ATOM 745 CB ARG A 298 8.803 15.379 12.662 1.00 33.72 C ATOM 746 CG ARG A 298 7.594 14.487 12.496 1.00 44.97 C ATOM 747 CD ARG A 298 8.004 13.114 11.977 1.00 60.76 C ATOM 748 NE ARG A 298 9.183 12.589 12.667 1.00 70.60 N ATOM 749 CZ ARG A 298 9.744 11.411 12.404 1.00 74.74 C ATOM 750 NH1 ARG A 298 9.235 10.621 11.467 1.00 75.29 N ATOM 751 NH2 ARG A 298 10.816 11.019 13.081 1.00 75.36 N ATOM 752 HE ARG A 298 9.611 13.175 13.412 1.00 0.00 H ATOM 753 HH12 ARG A 298 9.677 9.702 11.265 1.00 0.00 H ATOM 754 HH11 ARG A 298 8.394 10.921 10.934 1.00 0.00 H ATOM 755 HH22 ARG A 298 11.253 10.098 12.875 1.00 0.00 H ATOM 756 HH21 ARG A 298 11.219 11.632 13.818 1.00 0.00 H ATOM 757 H ARG A 298 7.942 17.024 10.868 1.00 0.00 H ATOM 758 N SER A 299 10.688 17.738 12.537 1.00 22.65 N ATOM 759 CA SER A 299 11.946 18.380 12.896 1.00 25.17 C ATOM 760 C SER A 299 12.588 19.028 11.687 1.00 21.96 C ATOM 761 O SER A 299 12.106 18.898 10.559 1.00 20.73 O ATOM 762 CB SER A 299 12.917 17.365 13.499 1.00 28.86 C ATOM 763 OG SER A 299 13.358 16.453 12.507 1.00 33.42 O ATOM 764 HG SER A 299 13.985 15.803 12.913 1.00 0.00 H ATOM 765 H SER A 299 10.538 17.412 11.561 1.00 0.00 H ATOM 766 N ARG A 300 13.694 19.717 11.927 1.00 23.18 N ATOM 767 CA ARG A 300 14.366 20.466 10.877 1.00 19.38 C ATOM 768 C ARG A 300 14.792 19.555 9.720 1.00 17.95 C ATOM 769 O ARG A 300 14.860 19.990 8.576 1.00 20.16 O ATOM 770 CB ARG A 300 15.576 21.201 11.457 1.00 26.21 C ATOM 771 CG ARG A 300 16.037 22.378 10.625 1.00 24.16 C ATOM 772 CD ARG A 300 17.374 22.907 11.116 1.00 20.48 C ATOM 773 NE ARG A 300 17.943 23.847 10.157 1.00 28.67 N ATOM 774 CZ ARG A 300 18.495 25.011 10.482 1.00 31.05 C ATOM 775 NH1 ARG A 300 18.575 25.385 11.751 1.00 33.05 N ATOM 776 NH2 ARG A 300 18.982 25.794 9.535 1.00 33.51 N ATOM 777 HE ARG A 300 17.915 23.589 9.150 1.00 0.00 H ATOM 778 HH12 ARG A 300 19.008 26.298 11.998 1.00 0.00 H ATOM 779 HH11 ARG A 300 18.204 24.766 12.500 1.00 0.00 H ATOM 780 HH22 ARG A 300 19.415 26.706 9.786 1.00 0.00 H ATOM 781 HH21 ARG A 300 18.932 25.498 8.539 1.00 0.00 H ATOM 782 H ARG A 300 14.091 19.722 12.888 1.00 0.00 H ATOM 783 N GLY A 301 15.048 18.284 10.018 1.00 17.86 N ATOM 784 CA GLY A 301 15.498 17.345 9.001 1.00 18.43 C ATOM 785 C GLY A 301 14.476 17.011 7.920 1.00 23.20 C ATOM 786 O GLY A 301 14.833 16.487 6.866 1.00 23.72 O ATOM 787 H GLY A 301 14.924 17.955 10.997 1.00 0.00 H ATOM 788 N ASP A 302 13.202 17.299 8.182 1.00 15.02 N ATOM 789 CA ASP A 302 12.142 17.073 7.200 1.00 14.82 C ATOM 790 C ASP A 302 12.151 18.112 6.091 1.00 21.04 C ATOM 791 O ASP A 302 11.524 17.929 5.051 1.00 18.25 O ATOM 792 CB ASP A 302 10.785 17.085 7.892 1.00 15.41 C ATOM 793 CG ASP A 302 10.675 16.009 8.934 1.00 34.12 C ATOM 794 OD1 ASP A 302 11.076 14.871 8.631 1.00 33.06 O ATOM 795 OD2 ASP A 302 10.214 16.308 10.052 1.00 43.03 O ATOM 796 H ASP A 302 12.954 17.696 9.111 1.00 0.00 H ATOM 797 N ILE A 303 12.850 19.216 6.327 1.00 17.33 N ATOM 798 CA ILE A 303 12.969 20.264 5.323 1.00 11.15 C ATOM 799 C ILE A 303 14.088 19.881 4.354 1.00 10.32 C ATOM 800 O ILE A 303 15.151 19.443 4.786 1.00 13.46 O ATOM 801 CB ILE A 303 13.274 21.609 6.011 1.00 12.75 C ATOM 802 CG1 ILE A 303 12.177 21.906 7.034 1.00 14.96 C ATOM 803 CG2 ILE A 303 13.380 22.751 4.989 1.00 12.75 C ATOM 804 CD1 ILE A 303 12.412 23.176 7.870 1.00 11.17 C ATOM 805 H ILE A 303 13.321 19.334 7.246 1.00 0.00 H ATOM 806 N PRO A 304 13.854 20.031 3.042 1.00 18.15 N ATOM 807 CA PRO A 304 14.869 19.650 2.052 1.00 21.19 C ATOM 808 C PRO A 304 16.225 20.324 2.277 1.00 17.89 C ATOM 809 O PRO A 304 16.277 21.458 2.734 1.00 14.56 O ATOM 810 CB PRO A 304 14.249 20.117 0.728 1.00 21.59 C ATOM 811 CG PRO A 304 12.774 20.039 0.969 1.00 19.22 C ATOM 812 CD PRO A 304 12.616 20.508 2.397 1.00 24.53 C ATOM 813 N ARG A 305 17.301 19.618 1.946 1.00 15.32 N ATOM 814 CA ARG A 305 18.667 20.104 2.142 1.00 13.94 C ATOM 815 C ARG A 305 18.892 21.493 1.530 1.00 20.01 C ATOM 816 O ARG A 305 19.513 22.360 2.148 1.00 16.23 O ATOM 817 CB ARG A 305 19.652 19.099 1.537 1.00 19.27 C ATOM 818 CG ARG A 305 21.117 19.421 1.746 1.00 25.70 C ATOM 819 CD ARG A 305 21.973 18.686 0.725 1.00 34.82 C ATOM 820 NE ARG A 305 22.939 17.787 1.348 1.00 44.68 N ATOM 821 CZ ARG A 305 23.546 16.785 0.716 1.00 54.17 C ATOM 822 NH1 ARG A 305 23.284 16.539 -0.562 1.00 54.27 N ATOM 823 NH2 ARG A 305 24.412 16.019 1.366 1.00 61.35 N ATOM 824 HE ARG A 305 23.168 17.939 2.351 1.00 0.00 H ATOM 825 HH12 ARG A 305 23.762 15.754 -1.049 1.00 0.00 H ATOM 826 HH11 ARG A 305 22.601 17.131 -1.076 1.00 0.00 H ATOM 827 HH22 ARG A 305 24.886 15.236 0.872 1.00 0.00 H ATOM 828 HH21 ARG A 305 24.617 16.201 2.369 1.00 0.00 H ATOM 829 H ARG A 305 17.166 18.675 1.528 1.00 0.00 H ATOM 830 N ALA A 306 18.367 21.703 0.326 1.00 16.31 N ATOM 831 CA ALA A 306 18.592 22.946 -0.403 1.00 14.67 C ATOM 832 C ALA A 306 17.889 24.159 0.223 1.00 12.24 C ATOM 833 O ALA A 306 18.172 25.300 -0.142 1.00 18.73 O ATOM 834 CB ALA A 306 18.191 22.788 -1.862 1.00 13.88 C ATOM 835 H ALA A 306 17.781 20.961 -0.107 1.00 0.00 H ATOM 836 N CYS A 307 16.973 23.913 1.155 1.00 10.64 N ATOM 837 CA CYS A 307 16.294 24.994 1.876 1.00 8.01 C ATOM 838 C CYS A 307 16.952 25.397 3.190 1.00 7.56 C ATOM 839 O CYS A 307 16.624 26.447 3.744 1.00 13.31 O ATOM 840 CB CYS A 307 14.846 24.603 2.205 1.00 10.09 C ATOM 841 SG CYS A 307 13.658 24.820 0.878 1.00 13.17 S ATOM 842 H CYS A 307 16.732 22.926 1.379 1.00 0.00 H ATOM 843 N GLN A 308 17.859 24.564 3.688 1.00 11.45 N ATOM 844 CA GLN A 308 18.321 24.679 5.067 1.00 13.27 C ATOM 845 C GLN A 308 18.961 26.029 5.379 1.00 14.07 C ATOM 846 O GLN A 308 18.744 26.597 6.456 1.00 10.83 O ATOM 847 CB GLN A 308 19.285 23.543 5.414 1.00 14.79 C ATOM 848 CG GLN A 308 18.639 22.155 5.480 1.00 15.55 C ATOM 849 CD GLN A 308 17.786 21.948 6.728 1.00 19.01 C ATOM 850 OE1 GLN A 308 18.072 22.501 7.795 1.00 15.68 O ATOM 851 NE2 GLN A 308 16.741 21.134 6.602 1.00 19.90 N ATOM 852 HE22 GLN A 308 16.536 20.689 5.685 1.00 0.00 H ATOM 853 HE21 GLN A 308 16.129 20.943 7.421 1.00 0.00 H ATOM 854 H GLN A 308 18.248 23.814 3.082 1.00 0.00 H ATOM 855 N LYS A 309 19.746 26.547 4.441 1.00 10.15 N ATOM 856 CA LYS A 309 20.424 27.811 4.682 1.00 8.38 C ATOM 857 C LYS A 309 19.476 29.001 4.547 1.00 14.97 C ATOM 858 O LYS A 309 19.848 30.130 4.869 1.00 11.30 O ATOM 859 CB LYS A 309 21.633 27.951 3.753 1.00 11.37 C ATOM 860 CG LYS A 309 22.777 27.006 4.127 1.00 14.20 C ATOM 861 CD LYS A 309 24.030 27.286 3.295 1.00 15.58 C ATOM 862 CE LYS A 309 25.159 26.331 3.668 1.00 20.20 C ATOM 863 NZ LYS A 309 24.775 24.925 3.404 1.00 24.71 N ATOM 864 HZ1 LYS A 309 23.935 24.685 3.968 1.00 0.00 H ATOM 865 HZ2 LYS A 309 24.560 24.810 2.393 1.00 0.00 H ATOM 866 HZ3 LYS A 309 25.561 24.297 3.667 1.00 0.00 H ATOM 867 H LYS A 309 19.875 26.050 3.537 1.00 0.00 H ATOM 868 N SER A 310 18.254 28.739 4.084 1.00 11.43 N ATOM 869 CA SER A 310 17.252 29.793 3.932 1.00 15.08 C ATOM 870 C SER A 310 16.310 29.882 5.123 1.00 13.74 C ATOM 871 O SER A 310 15.410 30.722 5.142 1.00 10.01 O ATOM 872 CB SER A 310 16.441 29.585 2.645 1.00 14.95 C ATOM 873 OG SER A 310 17.257 29.782 1.503 1.00 14.79 O ATOM 874 HG SER A 310 16.717 29.644 0.685 1.00 0.00 H ATOM 875 H SER A 310 18.007 27.762 3.825 1.00 0.00 H ATOM 876 N LEU A 311 16.511 29.005 6.105 1.00 7.34 N ATOM 877 CA LEU A 311 15.700 29.004 7.315 1.00 11.20 C ATOM 878 C LEU A 311 16.190 30.049 8.320 1.00 13.40 C ATOM 879 O LEU A 311 17.391 30.173 8.575 1.00 13.56 O ATOM 880 CB LEU A 311 15.727 27.624 7.955 1.00 7.78 C ATOM 881 CG LEU A 311 15.150 26.544 7.042 1.00 11.61 C ATOM 882 CD1 LEU A 311 15.494 25.174 7.573 1.00 14.35 C ATOM 883 CD2 LEU A 311 13.633 26.711 6.901 1.00 9.07 C ATOM 884 H LEU A 311 17.269 28.300 6.005 1.00 0.00 H ATOM 885 N ARG A 312 15.252 30.792 8.894 1.00 8.45 N ATOM 886 CA ARG A 312 15.594 31.934 9.743 1.00 10.39 C ATOM 887 C ARG A 312 14.677 32.000 10.949 1.00 11.26 C ATOM 888 O ARG A 312 13.566 31.464 10.912 1.00 13.23 O ATOM 889 CB ARG A 312 15.422 33.240 8.961 1.00 10.23 C ATOM 890 CG ARG A 312 16.201 33.308 7.661 1.00 8.72 C ATOM 891 CD ARG A 312 17.696 33.427 7.918 1.00 10.94 C ATOM 892 NE ARG A 312 18.440 32.885 6.788 1.00 13.62 N ATOM 893 CZ ARG A 312 18.568 33.492 5.615 1.00 19.07 C ATOM 894 NH1 ARG A 312 18.000 34.682 5.414 1.00 10.65 N ATOM 895 NH2 ARG A 312 19.250 32.900 4.637 1.00 15.89 N ATOM 896 HE ARG A 312 18.901 31.961 6.909 1.00 0.00 H ATOM 897 HH12 ARG A 312 18.100 35.158 4.495 1.00 0.00 H ATOM 898 HH11 ARG A 312 17.457 35.134 6.177 1.00 0.00 H ATOM 899 HH22 ARG A 312 19.353 33.372 3.716 1.00 0.00 H ATOM 900 HH21 ARG A 312 19.680 31.966 4.794 1.00 0.00 H ATOM 901 H ARG A 312 14.251 30.557 8.737 1.00 0.00 H ATOM 902 N PRO A 313 15.119 32.691 12.007 1.00 10.17 N ATOM 903 CA PRO A 313 14.174 32.993 13.083 1.00 14.79 C ATOM 904 C PRO A 313 13.000 33.789 12.514 1.00 18.08 C ATOM 905 O PRO A 313 13.200 34.601 11.618 1.00 10.72 O ATOM 906 CB PRO A 313 15.000 33.864 14.030 1.00 14.08 C ATOM 907 CG PRO A 313 16.417 33.400 13.812 1.00 11.85 C ATOM 908 CD PRO A 313 16.490 33.119 12.333 1.00 10.82 C ATOM 909 N VAL A 314 11.801 33.538 13.023 1.00 10.98 N ATOM 910 CA VAL A 314 10.588 34.203 12.553 1.00 11.19 C ATOM 911 C VAL A 314 10.481 35.626 13.088 1.00 16.42 C ATOM 912 O VAL A 314 10.438 35.834 14.301 1.00 17.93 O ATOM 913 CB VAL A 314 9.339 33.418 13.003 1.00 17.81 C ATOM 914 CG1 VAL A 314 8.073 34.067 12.478 1.00 22.17 C ATOM 915 CG2 VAL A 314 9.437 31.985 12.536 1.00 15.01 C ATOM 916 H VAL A 314 11.721 32.839 13.789 1.00 0.00 H ATOM 917 N PRO A 315 10.407 36.614 12.179 1.00 15.68 N ATOM 918 CA PRO A 315 10.305 38.025 12.569 1.00 21.45 C ATOM 919 C PRO A 315 8.897 38.323 13.091 1.00 20.76 C ATOM 920 O PRO A 315 8.030 37.468 12.981 1.00 20.29 O ATOM 921 CB PRO A 315 10.579 38.762 11.253 1.00 19.49 C ATOM 922 CG PRO A 315 10.097 37.833 10.214 1.00 18.77 C ATOM 923 CD PRO A 315 10.328 36.439 10.720 1.00 13.21 C ATOM 924 N PRO A 316 8.674 39.507 13.682 1.00 26.45 N ATOM 925 CA PRO A 316 7.354 39.794 14.261 1.00 25.11 C ATOM 926 C PRO A 316 6.161 39.714 13.291 1.00 28.79 C ATOM 927 O PRO A 316 5.153 39.100 13.638 1.00 31.95 O ATOM 928 CB PRO A 316 7.510 41.216 14.816 1.00 30.08 C ATOM 929 CG PRO A 316 8.778 41.740 14.239 1.00 32.07 C ATOM 930 CD PRO A 316 9.650 40.561 14.001 1.00 29.90 C ATOM 931 N SER A 317 6.251 40.327 12.117 1.00 26.44 N ATOM 932 CA SER A 317 5.121 40.294 11.183 1.00 27.51 C ATOM 933 C SER A 317 5.565 39.847 9.800 1.00 22.54 C ATOM 934 O SER A 317 5.595 40.654 8.873 1.00 22.38 O ATOM 935 CB SER A 317 4.432 41.659 11.086 1.00 27.00 C ATOM 936 OG SER A 317 3.796 42.008 12.306 1.00 33.91 O ATOM 937 HG SER A 317 3.362 42.893 12.209 1.00 0.00 H ATOM 938 H SER A 317 7.124 40.831 11.859 1.00 0.00 H ATOM 939 N PRO A 318 5.921 38.558 9.660 1.00 18.32 N ATOM 940 CA PRO A 318 6.409 38.070 8.365 1.00 17.52 C ATOM 941 C PRO A 318 5.303 38.173 7.311 1.00 18.81 C ATOM 942 O PRO A 318 4.141 37.968 7.638 1.00 15.85 O ATOM 943 CB PRO A 318 6.768 36.604 8.658 1.00 15.31 C ATOM 944 CG PRO A 318 5.850 36.226 9.763 1.00 12.85 C ATOM 945 CD PRO A 318 5.752 37.461 10.630 1.00 16.61 C ATOM 946 N LYS A 319 5.665 38.523 6.081 1.00 15.79 N ATOM 947 CA LYS A 319 4.703 38.664 4.996 1.00 14.75 C ATOM 948 C LYS A 319 5.231 37.953 3.757 1.00 15.11 C ATOM 949 O LYS A 319 6.411 38.070 3.430 1.00 12.89 O ATOM 950 CB LYS A 319 4.476 40.147 4.694 1.00 16.17 C ATOM 951 CG LYS A 319 3.867 40.925 5.857 1.00 17.58 C ATOM 952 CD LYS A 319 2.389 40.596 6.029 1.00 19.31 C ATOM 953 CE LYS A 319 1.793 41.260 7.273 1.00 29.82 C ATOM 954 NZ LYS A 319 1.842 42.741 7.192 1.00 37.57 N ATOM 955 HZ1 LYS A 319 2.831 43.049 7.102 1.00 0.00 H ATOM 956 HZ2 LYS A 319 1.301 43.060 6.363 1.00 0.00 H ATOM 957 HZ3 LYS A 319 1.428 43.148 8.055 1.00 0.00 H ATOM 958 H LYS A 319 6.671 38.703 5.886 1.00 0.00 H ATOM 959 N ILE A 320 4.355 37.216 3.072 1.00 13.45 N ATOM 960 CA ILE A 320 4.736 36.481 1.867 1.00 12.70 C ATOM 961 C ILE A 320 5.340 37.379 0.796 1.00 13.12 C ATOM 962 O ILE A 320 6.357 37.037 0.195 1.00 14.47 O ATOM 963 CB ILE A 320 3.540 35.710 1.273 1.00 14.68 C ATOM 964 CG1 ILE A 320 3.030 34.676 2.281 1.00 12.79 C ATOM 965 CG2 ILE A 320 3.932 35.031 -0.030 1.00 19.37 C ATOM 966 CD1 ILE A 320 1.773 33.949 1.825 1.00 14.02 C ATOM 967 H ILE A 320 3.371 37.163 3.405 1.00 0.00 H ATOM 968 N ASP A 321 4.733 38.544 0.578 1.00 14.58 N ATOM 969 CA ASP A 321 5.208 39.455 -0.456 1.00 15.34 C ATOM 970 C ASP A 321 6.471 40.219 -0.047 1.00 17.99 C ATOM 971 O ASP A 321 6.947 41.088 -0.783 1.00 21.00 O ATOM 972 CB ASP A 321 4.102 40.418 -0.913 1.00 17.25 C ATOM 973 CG ASP A 321 3.555 41.278 0.215 1.00 28.27 C ATOM 974 OD1 ASP A 321 4.060 41.180 1.353 1.00 27.53 O ATOM 975 OD2 ASP A 321 2.609 42.061 -0.048 1.00 28.20 O ATOM 976 H ASP A 321 3.908 38.808 1.154 1.00 0.00 H ATOM 977 N ARG A 322 7.001 39.897 1.126 1.00 14.48 N ATOM 978 CA ARG A 322 8.314 40.396 1.523 1.00 18.51 C ATOM 979 C ARG A 322 9.316 39.239 1.577 1.00 16.91 C ATOM 980 O ARG A 322 10.409 39.375 2.132 1.00 18.58 O ATOM 981 CB ARG A 322 8.248 41.116 2.873 1.00 17.45 C ATOM 982 CG ARG A 322 7.477 42.437 2.857 1.00 23.95 C ATOM 983 CD ARG A 322 8.135 43.477 1.952 1.00 37.90 C ATOM 984 NE ARG A 322 9.581 43.568 2.158 1.00 45.69 N ATOM 985 CZ ARG A 322 10.173 44.366 3.044 1.00 51.61 C ATOM 986 NH1 ARG A 322 9.448 45.160 3.824 1.00 52.55 N ATOM 987 NH2 ARG A 322 11.496 44.371 3.151 1.00 51.60 N ATOM 988 HE ARG A 322 10.191 42.965 1.569 1.00 0.00 H ATOM 989 HH12 ARG A 322 9.917 45.781 4.514 1.00 0.00 H ATOM 990 HH11 ARG A 322 8.411 45.161 3.745 1.00 0.00 H ATOM 991 HH22 ARG A 322 11.959 44.994 3.843 1.00 0.00 H ATOM 992 HH21 ARG A 322 12.069 43.752 2.543 1.00 0.00 H ATOM 993 H ARG A 322 6.472 39.279 1.774 1.00 0.00 H ATOM 994 N GLY A 323 8.941 38.095 1.006 1.00 13.87 N ATOM 995 CA GLY A 323 9.880 36.991 0.874 1.00 10.62 C ATOM 996 C GLY A 323 9.796 35.890 1.909 1.00 15.93 C ATOM 997 O GLY A 323 10.551 34.916 1.836 1.00 11.33 O ATOM 998 H GLY A 323 7.969 37.990 0.652 1.00 0.00 H ATOM 999 N TRP A 324 8.896 36.032 2.876 1.00 11.55 N ATOM 1000 CA TRP A 324 8.697 34.974 3.858 1.00 9.56 C ATOM 1001 C TRP A 324 7.732 33.930 3.303 1.00 10.64 C ATOM 1002 O TRP A 324 6.508 34.107 3.316 1.00 13.29 O ATOM 1003 CB TRP A 324 8.238 35.554 5.199 1.00 10.73 C ATOM 1004 CG TRP A 324 9.318 36.386 5.838 1.00 10.49 C ATOM 1005 CD1 TRP A 324 9.456 37.743 5.787 1.00 12.50 C ATOM 1006 CD2 TRP A 324 10.432 35.895 6.593 1.00 14.51 C ATOM 1007 NE1 TRP A 324 10.582 38.132 6.476 1.00 14.43 N ATOM 1008 CE2 TRP A 324 11.201 37.013 6.977 1.00 13.79 C ATOM 1009 CE3 TRP A 324 10.859 34.606 6.972 1.00 9.17 C ATOM 1010 CZ2 TRP A 324 12.369 36.893 7.745 1.00 10.73 C ATOM 1011 CZ3 TRP A 324 12.010 34.489 7.726 1.00 9.13 C ATOM 1012 CH2 TRP A 324 12.758 35.629 8.106 1.00 16.12 C ATOM 1013 HE1 TRP A 324 10.910 39.111 6.597 1.00 0.00 H ATOM 1014 H TRP A 324 8.330 36.903 2.932 1.00 0.00 H ATOM 1015 N VAL A 325 8.315 32.849 2.796 1.00 9.68 N ATOM 1016 CA VAL A 325 7.574 31.819 2.079 1.00 9.46 C ATOM 1017 C VAL A 325 6.590 31.058 2.966 1.00 10.85 C ATOM 1018 O VAL A 325 5.407 30.935 2.639 1.00 9.69 O ATOM 1019 CB VAL A 325 8.539 30.827 1.413 1.00 10.81 C ATOM 1020 CG1 VAL A 325 7.765 29.699 0.733 1.00 8.40 C ATOM 1021 CG2 VAL A 325 9.417 31.557 0.403 1.00 10.02 C ATOM 1022 H VAL A 325 9.342 32.733 2.916 1.00 0.00 H ATOM 1023 N CYS A 326 7.089 30.509 4.066 1.00 12.32 N ATOM 1024 CA CYS A 326 6.233 29.798 5.001 1.00 9.08 C ATOM 1025 C CYS A 326 6.909 29.806 6.351 1.00 10.00 C ATOM 1026 O CYS A 326 8.054 30.258 6.481 1.00 9.59 O ATOM 1027 CB CYS A 326 5.974 28.365 4.536 1.00 9.35 C ATOM 1028 SG CYS A 326 7.495 27.452 4.220 1.00 10.83 S ATOM 1029 H CYS A 326 8.107 30.589 4.262 1.00 0.00 H ATOM 1030 N VAL A 327 6.181 29.348 7.363 1.00 9.42 N ATOM 1031 CA VAL A 327 6.747 29.153 8.688 1.00 9.45 C ATOM 1032 C VAL A 327 6.594 27.671 9.007 1.00 9.71 C ATOM 1033 O VAL A 327 5.495 27.127 8.907 1.00 10.75 O ATOM 1034 CB VAL A 327 6.017 29.993 9.747 1.00 12.08 C ATOM 1035 CG1 VAL A 327 6.399 29.551 11.186 1.00 12.27 C ATOM 1036 CG2 VAL A 327 6.314 31.479 9.530 1.00 13.40 C ATOM 1037 H VAL A 327 5.178 29.123 7.203 1.00 0.00 H ATOM 1038 N PHE A 328 7.703 27.026 9.345 1.00 9.40 N ATOM 1039 CA PHE A 328 7.669 25.648 9.805 1.00 13.82 C ATOM 1040 C PHE A 328 7.493 25.635 11.320 1.00 14.63 C ATOM 1041 O PHE A 328 8.238 26.294 12.054 1.00 12.61 O ATOM 1042 CB PHE A 328 8.927 24.894 9.367 1.00 13.29 C ATOM 1043 CG PHE A 328 9.029 24.710 7.876 1.00 13.28 C ATOM 1044 CD1 PHE A 328 9.956 25.429 7.128 1.00 10.33 C ATOM 1045 CD2 PHE A 328 8.172 23.837 7.217 1.00 11.32 C ATOM 1046 CE1 PHE A 328 10.048 25.251 5.756 1.00 12.09 C ATOM 1047 CE2 PHE A 328 8.250 23.660 5.843 1.00 11.81 C ATOM 1048 CZ PHE A 328 9.185 24.371 5.112 1.00 11.45 C ATOM 1049 H PHE A 328 8.617 27.518 9.279 1.00 0.00 H ATOM 1050 N GLN A 329 6.462 24.925 11.767 1.00 11.59 N ATOM 1051 CA GLN A 329 6.185 24.751 13.186 1.00 14.33 C ATOM 1052 C GLN A 329 6.673 23.356 13.551 1.00 20.58 C ATOM 1053 O GLN A 329 6.112 22.353 13.105 1.00 23.84 O ATOM 1054 CB GLN A 329 4.685 24.896 13.436 1.00 13.33 C ATOM 1055 CG GLN A 329 4.210 24.678 14.855 1.00 25.34 C ATOM 1056 CD GLN A 329 2.687 24.536 14.932 1.00 32.67 C ATOM 1057 OE1 GLN A 329 2.124 23.513 14.524 1.00 27.89 O ATOM 1058 NE2 GLN A 329 2.014 25.573 15.442 1.00 32.79 N ATOM 1059 HE22 GLN A 329 2.528 26.414 15.774 1.00 0.00 H ATOM 1060 HE21 GLN A 329 0.977 25.538 15.507 1.00 0.00 H ATOM 1061 H GLN A 329 5.828 24.476 11.076 1.00 0.00 H ATOM 1062 N LEU A 330 7.740 23.298 14.342 1.00 16.52 N ATOM 1063 CA LEU A 330 8.389 22.030 14.648 1.00 17.53 C ATOM 1064 C LEU A 330 7.718 21.360 15.842 1.00 17.88 C ATOM 1065 O LEU A 330 7.108 22.027 16.674 1.00 24.98 O ATOM 1066 CB LEU A 330 9.887 22.221 14.906 1.00 19.46 C ATOM 1067 CG LEU A 330 10.798 22.256 13.672 1.00 17.66 C ATOM 1068 CD1 LEU A 330 10.404 23.346 12.690 1.00 19.75 C ATOM 1069 CD2 LEU A 330 12.245 22.423 14.090 1.00 21.32 C ATOM 1070 H LEU A 330 8.119 24.176 14.751 1.00 0.00 H ATOM 1071 N GLN A 331 7.817 20.040 15.910 1.00 20.37 N ATOM 1072 CA GLN A 331 7.102 19.291 16.946 1.00 29.71 C ATOM 1073 C GLN A 331 7.474 19.734 18.355 1.00 23.38 C ATOM 1074 O GLN A 331 6.623 19.752 19.251 1.00 25.20 O ATOM 1075 CB GLN A 331 7.339 17.788 16.799 1.00 38.00 C ATOM 1076 CG GLN A 331 6.261 16.934 17.443 1.00 50.92 C ATOM 1077 CD GLN A 331 5.253 16.426 16.432 1.00 60.58 C ATOM 1078 OE1 GLN A 331 4.177 17.004 16.258 1.00 61.76 O ATOM 1079 NE2 GLN A 331 5.601 15.338 15.752 1.00 63.01 N ATOM 1080 HE22 GLN A 331 6.519 14.884 15.932 1.00 0.00 H ATOM 1081 HE21 GLN A 331 4.955 14.941 15.040 1.00 0.00 H ATOM 1082 H GLN A 331 8.408 19.531 15.222 1.00 0.00 H ATOM 1083 N ASP A 332 8.732 20.112 18.549 1.00 21.63 N ATOM 1084 CA ASP A 332 9.216 20.436 19.893 1.00 27.62 C ATOM 1085 C ASP A 332 8.968 21.891 20.257 1.00 27.75 C ATOM 1086 O ASP A 332 9.429 22.365 21.290 1.00 29.68 O ATOM 1087 CB ASP A 332 10.711 20.128 20.018 1.00 33.64 C ATOM 1088 CG ASP A 332 11.569 21.050 19.167 1.00 37.15 C ATOM 1089 OD1 ASP A 332 11.023 21.700 18.253 1.00 28.22 O ATOM 1090 OD2 ASP A 332 12.794 21.119 19.408 1.00 43.69 O ATOM 1091 H ASP A 332 9.380 20.179 17.738 1.00 0.00 H ATOM 1092 N GLY A 333 8.271 22.611 19.391 1.00 25.17 N ATOM 1093 CA GLY A 333 7.946 23.992 19.682 1.00 28.16 C ATOM 1094 C GLY A 333 8.737 25.020 18.896 1.00 23.25 C ATOM 1095 O GLY A 333 8.295 26.162 18.783 1.00 20.83 O ATOM 1096 H GLY A 333 7.955 22.182 18.497 1.00 0.00 H ATOM 1097 N LYS A 334 9.897 24.628 18.365 1.00 15.72 N ATOM 1098 CA LYS A 334 10.714 25.524 17.541 1.00 13.61 C ATOM 1099 C LYS A 334 9.935 25.973 16.315 1.00 20.66 C ATOM 1100 O LYS A 334 9.124 25.221 15.772 1.00 16.77 O ATOM 1101 CB LYS A 334 11.996 24.818 17.072 1.00 18.81 C ATOM 1102 CG LYS A 334 12.966 24.416 18.185 1.00 21.12 C ATOM 1103 CD LYS A 334 14.075 23.526 17.616 1.00 19.03 C ATOM 1104 CE LYS A 334 15.230 23.354 18.581 1.00 19.36 C ATOM 1105 NZ LYS A 334 14.788 22.855 19.897 1.00 21.39 N ATOM 1106 HZ1 LYS A 334 14.116 23.530 20.314 1.00 0.00 H ATOM 1107 HZ2 LYS A 334 14.325 21.931 19.779 1.00 0.00 H ATOM 1108 HZ3 LYS A 334 15.613 22.753 20.523 1.00 0.00 H ATOM 1109 H LYS A 334 10.231 23.659 18.541 1.00 0.00 H ATOM 1110 N THR A 335 10.182 27.204 15.880 1.00 12.03 N ATOM 1111 CA THR A 335 9.574 27.723 14.666 1.00 11.27 C ATOM 1112 C THR A 335 10.656 28.346 13.788 1.00 11.00 C ATOM 1113 O THR A 335 11.548 29.045 14.281 1.00 13.73 O ATOM 1114 CB THR A 335 8.462 28.768 14.961 1.00 19.05 C ATOM 1115 OG1 THR A 335 9.037 29.925 15.573 1.00 24.34 O ATOM 1116 CG2 THR A 335 7.394 28.189 15.884 1.00 21.42 C ATOM 1117 HG1 THR A 335 9.476 29.664 16.421 1.00 0.00 H ATOM 1118 H THR A 335 10.828 27.812 16.423 1.00 0.00 H ATOM 1119 N LEU A 336 10.581 28.083 12.488 1.00 10.85 N ATOM 1120 CA LEU A 336 11.555 28.613 11.535 1.00 9.09 C ATOM 1121 C LEU A 336 10.868 29.160 10.287 1.00 12.61 C ATOM 1122 O LEU A 336 10.004 28.495 9.714 1.00 12.48 O ATOM 1123 CB LEU A 336 12.552 27.518 11.134 1.00 11.69 C ATOM 1124 CG LEU A 336 13.520 27.102 12.248 1.00 12.73 C ATOM 1125 CD1 LEU A 336 14.269 25.845 11.886 1.00 16.89 C ATOM 1126 CD2 LEU A 336 14.503 28.218 12.525 1.00 9.97 C ATOM 1127 H LEU A 336 9.807 27.483 12.138 1.00 0.00 H ATOM 1128 N GLY A 337 11.243 30.369 9.877 1.00 11.28 N ATOM 1129 CA GLY A 337 10.697 30.951 8.665 1.00 12.08 C ATOM 1130 C GLY A 337 11.610 30.649 7.487 1.00 11.39 C ATOM 1131 O GLY A 337 12.830 30.585 7.632 1.00 8.69 O ATOM 1132 H GLY A 337 11.938 30.905 10.434 1.00 0.00 H ATOM 1133 N LEU A 338 11.017 30.451 6.320 1.00 7.68 N ATOM 1134 CA LEU A 338 11.798 30.205 5.112 1.00 10.97 C ATOM 1135 C LEU A 338 11.804 31.496 4.327 1.00 10.75 C ATOM 1136 O LEU A 338 10.747 31.986 3.930 1.00 10.47 O ATOM 1137 CB LEU A 338 11.158 29.100 4.275 1.00 11.10 C ATOM 1138 CG LEU A 338 11.918 28.745 2.994 1.00 17.90 C ATOM 1139 CD1 LEU A 338 13.201 28.000 3.332 1.00 11.79 C ATOM 1140 CD2 LEU A 338 11.049 27.910 2.076 1.00 14.73 C ATOM 1141 H LEU A 338 9.979 30.471 6.263 1.00 0.00 H ATOM 1142 N LYS A 339 12.996 32.037 4.096 1.00 8.87 N ATOM 1143 CA LYS A 339 13.122 33.376 3.537 1.00 10.17 C ATOM 1144 C LYS A 339 13.753 33.344 2.150 1.00 14.32 C ATOM 1145 O LYS A 339 14.726 32.627 1.918 1.00 12.47 O ATOM 1146 CB LYS A 339 13.974 34.247 4.483 1.00 11.48 C ATOM 1147 CG LYS A 339 14.217 35.703 4.022 1.00 15.39 C ATOM 1148 CD LYS A 339 12.913 36.494 3.946 1.00 12.64 C ATOM 1149 CE LYS A 339 13.150 37.990 3.729 1.00 18.53 C ATOM 1150 NZ LYS A 339 13.986 38.266 2.536 1.00 20.69 N ATOM 1151 HZ1 LYS A 339 14.913 37.808 2.650 1.00 0.00 H ATOM 1152 HZ2 LYS A 339 13.514 37.890 1.689 1.00 0.00 H ATOM 1153 HZ3 LYS A 339 14.116 39.293 2.435 1.00 0.00 H ATOM 1154 H LYS A 339 13.855 31.494 4.319 1.00 0.00 H ATOM 1155 N ILE A 340 13.171 34.117 1.236 1.00 10.71 N ATOM 1156 CA ILE A 340 13.803 34.466 -0.026 1.00 11.21 C ATOM 1157 C ILE A 340 14.114 35.958 -0.033 1.00 21.29 C ATOM 1158 O ILE A 340 13.284 36.774 0.382 1.00 19.60 O ATOM 1159 CB ILE A 340 12.866 34.115 -1.203 1.00 12.78 C ATOM 1160 CG1 ILE A 340 12.673 32.597 -1.252 1.00 11.53 C ATOM 1161 CG2 ILE A 340 13.406 34.663 -2.517 1.00 9.51 C ATOM 1162 CD1 ILE A 340 11.736 32.094 -2.365 1.00 12.15 C ATOM 1163 OXT ILE A 340 15.193 36.402 -0.426 1.00 22.92 O ATOM 1164 H ILE A 340 12.220 34.489 1.434 1.00 0.00 H TER 1165 ILE A 340 HETATM 1166 O HOH 1 11.848 31.638 15.314 1.00 10.05 O HETATM 1167 O HOH 2 14.448 38.213 -14.494 1.00 16.85 O HETATM 1168 O HOH 3 15.306 26.665 -7.781 1.00 9.84 O HETATM 1169 O HOH 4 11.904 19.680 -5.283 1.00 31.11 O HETATM 1170 O HOH 5 10.868 34.342 16.659 1.00 25.54 O HETATM 1171 O HOH 6 4.499 22.671 17.893 1.00 31.56 O HETATM 1172 O HOH 7 -9.014 22.751 -10.089 1.00 27.73 O HETATM 1173 O HOH 8 -6.921 26.110 -16.298 1.00 31.34 O HETATM 1174 O HOH 9 11.945 41.080 -8.773 1.00 30.38 O HETATM 1175 O HOH 10 -11.104 27.817 1.168 1.00 15.50 O HETATM 1176 O HOH 11 -0.666 34.345 -19.313 1.00 18.24 O HETATM 1177 O HOH 12 -3.869 18.760 -7.129 1.00 17.89 O HETATM 1178 O HOH 13 5.199 26.816 -18.796 1.00 24.85 O HETATM 1179 O HOH 14 4.012 27.362 16.629 1.00 26.90 O HETATM 1180 O HOH 15 -1.321 29.004 8.386 1.00 17.81 O HETATM 1181 O HOH 16 -3.320 39.142 -10.711 1.00 20.11 O HETATM 1182 O HOH 17 7.741 40.648 6.269 1.00 20.06 O HETATM 1183 O HOH 18 23.259 23.838 5.411 1.00 33.70 O HETATM 1184 O HOH 19 20.651 25.390 2.009 1.00 19.78 O HETATM 1185 O HOH 20 -8.291 25.549 -11.096 1.00 25.70 O HETATM 1186 O HOH 21 -4.460 23.031 5.171 1.00 31.65 O HETATM 1187 O HOH 22 17.311 19.803 -1.630 1.00 18.01 O HETATM 1188 O HOH 23 14.516 36.815 11.407 1.00 18.89 O HETATM 1189 O HOH 24 -8.311 27.447 -8.726 1.00 11.99 O HETATM 1190 O HOH 25 7.202 44.842 -7.859 1.00 42.92 O HETATM 1191 O HOH 26 -8.726 30.189 -10.853 1.00 17.43 O HETATM 1192 O HOH 27 22.990 24.764 0.988 1.00 24.07 O HETATM 1193 O HOH 28 11.921 29.272 -17.245 1.00 20.59 O HETATM 1194 O HOH 29 7.248 35.588 -25.201 1.00 18.37 O HETATM 1195 O HOH 30 -6.272 21.334 -7.200 1.00 19.13 O HETATM 1196 O HOH 31 2.656 38.476 -14.840 1.00 24.00 O HETATM 1197 O HOH 32 1.608 19.714 -15.227 1.00 23.68 O HETATM 1198 O HOH 33 -3.986 29.065 8.943 1.00 32.74 O HETATM 1199 O HOH 34 7.948 37.748 -2.159 1.00 21.64 O HETATM 1200 O HOH 35 -0.443 39.638 9.679 1.00 38.85 O HETATM 1201 O HOH 36 3.516 43.348 3.007 1.00 28.09 O HETATM 1202 O HOH 37 9.525 42.320 -21.898 1.00 18.70 O HETATM 1203 O HOH 38 -8.318 32.748 -11.406 1.00 16.65 O HETATM 1204 O HOH 39 17.070 36.848 7.197 1.00 25.67 O HETATM 1205 O HOH 40 13.535 34.514 17.432 1.00 20.39 O HETATM 1206 O HOH 41 10.171 29.867 18.128 1.00 23.63 O HETATM 1207 O HOH 42 14.899 20.641 14.880 1.00 23.78 O HETATM 1208 O HOH 43 25.343 14.734 4.192 1.00 46.41 O HETATM 1209 O HOH 44 16.992 36.525 10.170 1.00 22.65 O HETATM 1210 O HOH 45 -8.898 25.586 -6.686 1.00 20.97 O HETATM 1211 O HOH 46 1.080 34.705 -21.377 1.00 30.43 O HETATM 1212 O HOH 47 -1.653 18.866 2.649 1.00 35.88 O HETATM 1213 O HOH 48 2.420 38.490 9.763 1.00 25.15 O HETATM 1214 O HOH 49 4.089 28.709 14.440 1.00 36.99 O HETATM 1215 O HOH 50 4.169 26.381 -21.715 1.00 34.23 O HETATM 1216 O HOH 51 19.326 22.389 -11.994 1.00 28.01 O HETATM 1217 O HOH 52 19.822 28.398 8.177 1.00 29.98 O HETATM 1218 O HOH 53 -5.883 31.026 0.092 1.00 29.77 O HETATM 1219 O HOH 54 11.863 41.686 3.225 1.00 30.49 O HETATM 1220 O HOH 55 -6.330 29.774 2.379 1.00 28.60 O HETATM 1221 O HOH 56 -11.292 25.351 -3.339 1.00 38.09 O HETATM 1222 O HOH 57 -2.595 26.275 4.600 1.00 41.98 O HETATM 1223 O HOH 58 14.359 40.233 -10.016 1.00 33.37 O HETATM 1224 O HOH 59 10.356 17.493 2.518 1.00 40.62 O HETATM 1225 O HOH 60 9.298 18.820 0.784 1.00 32.61 O HETATM 1226 O HOH 61 -1.315 32.004 4.648 1.00 26.15 O HETATM 1227 O HOH 62 -8.510 34.107 0.364 1.00 32.99 O HETATM 1228 O HOH 63 -4.254 44.964 -5.511 1.00 37.21 O HETATM 1229 O HOH 64 4.619 31.265 14.052 1.00 33.64 O HETATM 1230 O HOH 65 -4.216 30.299 -16.945 1.00 27.26 O HETATM 1231 O HOH 66 7.667 20.862 -0.342 1.00 27.51 O HETATM 1232 O HOH 67 7.086 18.670 -4.268 1.00 28.33 O HETATM 1233 O HOH 68 -0.661 31.745 8.858 1.00 27.21 O HETATM 1234 O HOH 69 7.820 43.834 -19.100 1.00 36.67 O HETATM 1235 O HOH 70 10.864 40.930 5.893 1.00 40.06 O HETATM 1236 O HOH 71 15.574 27.723 -15.334 1.00 38.32 O HETATM 1237 O HOH 72 9.285 41.385 -13.514 1.00 39.37 O HETATM 1238 O HOH 73 4.231 14.550 -9.143 1.00 49.91 O HETATM 1239 O HOH 74 8.841 28.547 20.084 1.00 24.46 O HETATM 1240 O HOH 75 9.156 44.150 -7.011 1.00 35.39 O HETATM 1241 O HOH 76 2.282 40.715 -19.472 1.00 37.40 O HETATM 1242 O HOH 77 4.148 36.438 -12.243 1.00 22.34 O HETATM 1243 O HOH 78 6.441 43.844 -1.553 1.00 41.89 O HETATM 1244 O HOH 79 20.551 27.846 10.691 1.00 33.15 O HETATM 1245 O HOH 80 4.854 32.058 -21.299 1.00 25.39 O HETATM 1246 O HOH 81 6.710 40.161 -15.670 1.00 31.67 O HETATM 1247 O HOH 82 -6.050 21.993 0.448 1.00 36.29 O HETATM 1248 O HOH 83 19.241 35.434 11.096 1.00 43.25 O HETATM 1249 O HOH 84 9.329 16.140 4.464 1.00 35.35 O HETATM 1250 O HOH 85 3.736 39.834 -16.941 1.00 38.44 O HETATM 1251 O HOH 86 17.139 31.768 -13.601 1.00 34.87 O HETATM 1252 O HOH 87 1.498 37.310 -22.063 1.00 28.43 O HETATM 1253 O HOH 88 10.061 39.457 -2.104 1.00 24.68 O HETATM 1254 O HOH 89 3.807 32.526 12.184 1.00 38.99 O HETATM 1255 O HOH 90 16.143 20.630 21.877 1.00 39.17 O HETATM 1256 O HOH 91 15.644 38.655 6.231 1.00 34.69 O HETATM 1257 O HOH 92 22.298 27.799 8.119 1.00 28.25 O HETATM 1258 O HOH 93 -2.974 33.990 3.423 1.00 37.97 O HETATM 1259 O HOH 94 11.234 46.198 -5.717 1.00 42.63 O HETATM 1260 O HOH 95 3.680 38.801 -21.150 1.00 25.55 O HETATM 1261 O HOH 96 17.159 27.912 -0.301 1.00 22.42 O HETATM 1262 O HOH 97 19.332 21.740 -5.485 1.00 22.93 O HETATM 1263 O HOH 98 1.024 25.769 -19.143 1.00 21.65 O HETATM 1264 O HOH 99 16.368 30.222 -3.330 1.00 31.15 O HETATM 1265 O HOH 100 11.411 34.034 -19.517 1.00 11.19 O HETATM 1266 O HOH 101 16.562 28.939 -8.185 1.00 15.85 O HETATM 1267 O HOH 102 -13.740 23.897 -16.461 1.00 25.60 O HETATM 1268 O HOH 103 9.366 36.796 16.405 1.00 24.46 O HETATM 1269 O HOH 104 -8.773 23.084 -7.574 1.00 27.34 O HETATM 1270 O HOH 105 17.580 30.361 -6.136 1.00 25.40 O HETATM 1271 O HOH 106 -6.331 36.748 -5.993 1.00 41.13 O HETATM 1272 O HOH 107 2.547 33.180 9.924 1.00 30.29 O HETATM 1273 O HOH 108 -7.852 35.522 -7.054 1.00 25.60 O HETATM 1274 O HOH 109 10.028 40.760 -8.170 1.00 31.42 O HETATM 1275 O HOH 110 7.713 18.852 -13.228 1.00 32.98 O HETATM 1276 O HOH 111 17.178 27.945 -2.673 1.00 37.74 O HETATM 1277 O HOH 112 2.507 38.478 -11.480 1.00 41.25 O HETATM 1278 CAO UNN A 113 1.008 21.802 2.748 1.00 -0.04 C HETATM 1279 CBD UNN A 113 0.438 22.664 3.702 1.00 0.12 C HETATM 1280 OAQ UNN A 113 -0.256 22.435 4.879 1.00 -0.29 O HETATM 1281 CAP UNN A 113 -0.595 23.673 5.421 1.00 0.19 C HETATM 1282 OAR UNN A 113 -0.059 24.666 4.592 1.00 -0.29 O HETATM 1283 CBF UNN A 113 0.560 24.013 3.536 1.00 0.13 C HETATM 1284 CAZ UNN A 113 1.232 24.520 2.426 1.00 0.05 C HETATM 1285 CL2 UNN A 113 1.309 26.243 2.328 1.00 -0.08 CL HETATM 1286 CAM UNN A 113 1.797 23.686 1.467 1.00 -0.06 C HETATM 1287 CBB UNN A 113 1.666 22.310 1.640 1.00 -0.02 C HETATM 1288 CBG UNN A 113 2.238 21.308 0.699 1.00 0.13 C HETATM 1289 CAX UNN A 113 3.276 20.568 1.245 1.00 0.09 C HETATM 1290 CAU UNN A 113 4.519 21.205 1.758 1.00 0.15 C HETATM 1291 OAB UNN A 113 4.848 22.301 1.326 1.00 -0.39 O HETATM 1292 CBE UNN A 113 5.411 20.563 2.754 1.00 0.08 C HETATM 1293 CAL UNN A 113 5.169 19.467 3.601 1.00 -0.06 C HETATM 1294 CAK UNN A 113 6.288 19.126 4.429 1.00 -0.05 C HETATM 1295 CAY UNN A 113 7.391 19.970 4.225 1.00 0.10 C HETATM 1296 CL1 UNN A 113 8.922 19.929 4.996 1.00 -0.05 CL HETATM 1297 SAS UNN A 113 6.969 21.100 3.059 1.00 -0.02 S HETATM 1298 H7 UNN A 113 6.283 18.301 5.140 1.00 0.04 H HETATM 1299 H6 UNN A 113 4.222 18.929 3.626 1.00 0.05 H HETATM 1300 CAV UNN A 113 3.002 19.217 0.994 1.00 0.18 C HETATM 1301 OAE UNN A 113 3.743 18.129 1.379 1.00 -0.32 O HETATM 1302 H8 UNN A 113 3.321 17.335 1.072 1.00 0.25 H HETATM 1303 CAW UNN A 113 1.827 19.184 0.263 1.00 0.27 C HETATM 1304 OAC UNN A 113 1.182 18.067 -0.218 1.00 -0.37 O HETATM 1305 NBH UNN A 113 1.425 20.444 0.076 1.00 -0.19 N HETATM 1306 CBC UNN A 113 0.333 20.807 -0.760 1.00 0.08 C HETATM 1307 CAN UNN A 113 -0.906 20.257 -0.483 1.00 -0.03 C HETATM 1308 CBA UNN A 113 -1.997 20.573 -1.264 1.00 -0.00 C HETATM 1309 CAI UNN A 113 -1.836 21.451 -2.324 1.00 -0.06 C HETATM 1310 CAH UNN A 113 -0.590 22.006 -2.603 1.00 -0.07 C HETATM 1311 CAJ UNN A 113 0.504 21.689 -1.821 1.00 -0.04 C HETATM 1312 H10 UNN A 113 1.476 22.119 -2.031 1.00 0.05 H HETATM 1313 H11 UNN A 113 -0.478 22.689 -3.437 1.00 0.06 H HETATM 1314 H12 UNN A 113 -2.689 21.708 -2.942 1.00 0.05 H HETATM 1315 CAT UNN A 113 -3.326 19.969 -0.949 1.00 0.06 C HETATM 1316 OAD UNN A 113 -4.329 20.248 -1.653 1.00 -0.56 O HETATM 1317 OAA UNN A 113 -3.451 19.175 0.019 1.00 -0.56 O HETATM 1318 H9 UNN A 113 -1.019 19.575 0.352 1.00 0.05 H HETATM 1319 H5 UNN A 113 2.679 21.918 -0.103 1.00 0.09 H HETATM 1320 H4 UNN A 113 2.323 24.094 0.612 1.00 0.04 H HETATM 1321 H2 UNN A 113 -0.176 23.765 6.434 1.00 0.10 H HETATM 1322 H3 UNN A 113 -1.689 23.774 5.466 1.00 0.10 H HETATM 1323 H1 UNN A 113 0.932 20.729 2.881 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1278 1279 1287 1323 CONECT 1279 1278 1280 1283 CONECT 1280 1279 1281 CONECT 1281 1280 1282 1321 1322 CONECT 1282 1281 1283 CONECT 1283 1279 1282 1284 CONECT 1284 1283 1285 1286 CONECT 1285 1284 CONECT 1286 1284 1287 1320 CONECT 1287 1278 1286 1288 CONECT 1288 1287 1289 1305 1319 CONECT 1289 1288 1290 1300 CONECT 1290 1289 1291 1292 CONECT 1291 1290 CONECT 1292 1290 1293 1297 CONECT 1293 1292 1294 1299 CONECT 1294 1293 1295 1298 CONECT 1295 1294 1296 1297 CONECT 1296 1295 CONECT 1297 1292 1295 CONECT 1298 1294 CONECT 1299 1293 CONECT 1300 1289 1301 1303 CONECT 1301 1300 1302 CONECT 1302 1301 CONECT 1303 1300 1304 1305 CONECT 1304 1303 CONECT 1305 1288 1303 1306 CONECT 1306 1305 1307 1311 CONECT 1307 1306 1308 1318 CONECT 1308 1307 1309 1315 CONECT 1309 1308 1310 1314 CONECT 1310 1309 1311 1313 CONECT 1311 1306 1310 1312 CONECT 1312 1311 CONECT 1313 1310 CONECT 1314 1309 CONECT 1315 1308 1316 1317 CONECT 1316 1315 CONECT 1317 1315 CONECT 1318 1307 CONECT 1319 1288 CONECT 1320 1286 CONECT 1321 1281 CONECT 1322 1281 CONECT 1323 1278 MASTER 0 0 0 0 0 0 0 0 1322 1 50 10 END
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Structure:
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Protein
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Related entries of code: 4ibk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3l25
RCSB PDB
PDBbind
129aa, >3L25_1|Chains... *
4ibb
RCSB PDB
PDBbind
129aa, >4IBB_1|Chains... at 100%
4ibc
RCSB PDB
PDBbind
129aa, >4IBC_1|Chains... at 100%
4ibd
RCSB PDB
PDBbind
129aa, >4IBD_1|Chains... at 100%
4ibe
RCSB PDB
PDBbind
129aa, >4IBE_1|Chains... at 100%
4ibf
RCSB PDB
PDBbind
129aa, >4IBF_1|Chains... at 100%
4ibg
RCSB PDB
PDBbind
129aa, >4IBG_1|Chains... at 100%
4ibi
RCSB PDB
PDBbind
129aa, >4IBI_1|Chains... at 100%
4ibj
RCSB PDB
PDBbind
129aa, >4IBJ_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4ibk
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Polymerase cofactor Ebola virus VP35
Ligand Name
1DE
EC.Number
E.C.-.-.-.-
Resolution
1.85(Å)
Affinity (Kd/Ki/IC50)
Kd=50.4uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) J.Mol.Biol. Vol. 426: pp. 2045-2058
Ligand Properties
Formula
C
2
3
H
1
3
Cl
2
NO
7
S
Molecular Weight
518.323
Exact Mass
516.979
No. of atoms
47
No. of bonds
51
Polar Surface Area
141.61
LOGP Value
6.57 (
Computed with XLOGP3
)
5.33 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
Canonical SMILES
Clc1ccc(s1)C(=O)C1=C(O)C(=O)N([C@H]1c1cc(Cl)c2c(c1)OCO2)c1cccc(c1)C(=O)O
InChI String
InChI=1S/C23H13Cl2NO7S/c24-13-7-11(8-14-21(13)33-9-32-14)18-17(19(27)15-4-5-16(25)34-15)20(28)22(29)26(18)12-3-1-2-10(6-12)23(30)31/h1-8,18,28H,9H2,(H,30,31)/t18-/m0/s1
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娌叕缃戝畨澶囷細
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