Browse entries in the PDBbind-CN Database
HEADER 4IBC_COMPLEX COMPND 4IBC_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 228 49 ATOM 1 N ASP A 218 -9.680 22.528 -16.169 1.00 58.04 N ATOM 2 CA ASP A 218 -9.107 23.577 -15.334 1.00 49.48 C ATOM 3 C ASP A 218 -7.787 23.141 -14.730 1.00 44.05 C ATOM 4 O ASP A 218 -7.649 22.004 -14.272 1.00 44.41 O ATOM 5 CB ASP A 218 -10.071 23.953 -14.215 1.00 46.87 C ATOM 6 CG ASP A 218 -11.402 24.419 -14.737 1.00 54.35 C ATOM 7 OD1 ASP A 218 -11.474 24.784 -15.928 1.00 59.50 O ATOM 8 OD2 ASP A 218 -12.376 24.422 -13.957 1.00 59.40 O ATOM 9 HN3 ASP A 218 -9.844 21.678 -15.592 1.00 0.00 H ATOM 10 HN2 ASP A 218 -9.021 22.302 -16.941 1.00 0.00 H ATOM 11 HN1 ASP A 218 -10.582 22.858 -16.567 1.00 0.00 H ATOM 12 N ILE A 219 -6.826 24.060 -14.722 1.00 36.80 N ATOM 13 CA ILE A 219 -5.513 23.804 -14.151 1.00 32.60 C ATOM 14 C ILE A 219 -5.649 23.392 -12.688 1.00 27.01 C ATOM 15 O ILE A 219 -6.422 23.982 -11.927 1.00 33.75 O ATOM 16 CB ILE A 219 -4.583 25.032 -14.305 1.00 35.57 C ATOM 17 CG1 ILE A 219 -3.147 24.687 -13.910 1.00 38.24 C ATOM 18 CG2 ILE A 219 -5.105 26.230 -13.508 1.00 35.43 C ATOM 19 CD1 ILE A 219 -2.180 25.812 -14.158 1.00 40.37 C ATOM 20 H ILE A 219 -7.020 24.993 -15.138 1.00 0.00 H ATOM 21 N SER A 220 -4.934 22.343 -12.304 1.00 26.19 N ATOM 22 CA SER A 220 -4.986 21.870 -10.926 1.00 23.72 C ATOM 23 C SER A 220 -3.732 22.320 -10.208 1.00 20.48 C ATOM 24 O SER A 220 -2.756 22.729 -10.846 1.00 22.14 O ATOM 25 CB SER A 220 -5.038 20.351 -10.894 1.00 26.60 C ATOM 26 OG SER A 220 -3.746 19.836 -11.143 1.00 26.57 O ATOM 27 HG SER A 220 -3.437 20.140 -12.033 1.00 0.00 H ATOM 28 H SER A 220 -4.330 21.852 -12.994 1.00 0.00 H ATOM 29 N ALA A 221 -3.739 22.216 -8.885 1.00 19.23 N ATOM 30 CA ALA A 221 -2.588 22.636 -8.097 1.00 16.54 C ATOM 31 C ALA A 221 -1.362 21.798 -8.461 1.00 17.07 C ATOM 32 O ALA A 221 -0.259 22.328 -8.588 1.00 20.87 O ATOM 33 CB ALA A 221 -2.890 22.535 -6.616 1.00 22.59 C ATOM 34 H ALA A 221 -4.577 21.830 -8.405 1.00 0.00 H ATOM 35 N LYS A 222 -1.562 20.503 -8.658 1.00 20.11 N ATOM 36 CA LYS A 222 -0.459 19.625 -9.045 1.00 23.06 C ATOM 37 C LYS A 222 0.151 20.035 -10.381 1.00 20.91 C ATOM 38 O LYS A 222 1.366 20.089 -10.523 1.00 19.97 O ATOM 39 CB LYS A 222 -0.922 18.172 -9.110 1.00 29.53 C ATOM 40 CG LYS A 222 0.127 17.229 -9.675 1.00 43.72 C ATOM 41 CD LYS A 222 -0.368 15.785 -9.693 1.00 52.78 C ATOM 42 CE LYS A 222 0.643 14.874 -10.374 1.00 57.87 C ATOM 43 NZ LYS A 222 2.015 15.028 -9.802 1.00 56.86 N ATOM 44 HZ1 LYS A 222 2.331 16.011 -9.923 1.00 0.00 H ATOM 45 HZ2 LYS A 222 1.996 14.791 -8.790 1.00 0.00 H ATOM 46 HZ3 LYS A 222 2.669 14.388 -10.297 1.00 0.00 H ATOM 47 H LYS A 222 -2.516 20.106 -8.536 1.00 0.00 H ATOM 48 N ASP A 223 -0.699 20.326 -11.361 1.00 22.27 N ATOM 49 CA ASP A 223 -0.217 20.755 -12.668 1.00 23.09 C ATOM 50 C ASP A 223 0.522 22.090 -12.615 1.00 19.54 C ATOM 51 O ASP A 223 1.552 22.257 -13.267 1.00 19.30 O ATOM 52 CB ASP A 223 -1.362 20.852 -13.661 1.00 25.17 C ATOM 53 CG ASP A 223 -1.985 19.500 -13.964 1.00 49.87 C ATOM 54 OD1 ASP A 223 -3.219 19.440 -14.134 1.00 54.17 O ATOM 55 OD2 ASP A 223 -1.238 18.500 -14.027 1.00 53.82 O ATOM 56 H ASP A 223 -1.722 20.246 -11.193 1.00 0.00 H ATOM 57 N LEU A 224 -0.004 23.042 -11.854 1.00 17.43 N ATOM 58 CA LEU A 224 0.669 24.329 -11.732 1.00 16.42 C ATOM 59 C LEU A 224 2.033 24.157 -11.061 1.00 15.06 C ATOM 60 O LEU A 224 3.030 24.742 -11.504 1.00 14.95 O ATOM 61 CB LEU A 224 -0.201 25.350 -10.984 1.00 15.48 C ATOM 62 CG LEU A 224 0.372 26.774 -10.890 1.00 16.25 C ATOM 63 CD1 LEU A 224 0.711 27.368 -12.273 1.00 17.55 C ATOM 64 CD2 LEU A 224 -0.600 27.673 -10.147 1.00 16.75 C ATOM 65 H LEU A 224 -0.895 22.870 -11.346 1.00 0.00 H ATOM 66 N ARG A 225 2.085 23.336 -10.012 1.00 14.03 N ATOM 67 CA ARG A 225 3.358 23.052 -9.348 1.00 19.00 C ATOM 68 C ARG A 225 4.397 22.564 -10.360 1.00 16.98 C ATOM 69 O ARG A 225 5.532 23.077 -10.421 1.00 13.48 O ATOM 70 CB ARG A 225 3.181 22.028 -8.221 1.00 13.16 C ATOM 71 CG ARG A 225 4.512 21.652 -7.528 1.00 17.34 C ATOM 72 CD ARG A 225 4.345 20.407 -6.664 1.00 27.16 C ATOM 73 NE ARG A 225 4.065 19.233 -7.484 1.00 43.02 N ATOM 74 CZ ARG A 225 3.694 18.048 -7.008 1.00 49.71 C ATOM 75 NH1 ARG A 225 3.556 17.862 -5.702 1.00 54.63 N ATOM 76 NH2 ARG A 225 3.463 17.046 -7.845 1.00 52.11 N ATOM 77 HE ARG A 225 4.163 19.330 -8.515 1.00 0.00 H ATOM 78 HH12 ARG A 225 3.266 16.932 -5.337 1.00 0.00 H ATOM 79 HH11 ARG A 225 3.738 18.646 -5.043 1.00 0.00 H ATOM 80 HH22 ARG A 225 3.173 16.118 -7.477 1.00 0.00 H ATOM 81 HH21 ARG A 225 3.572 17.188 -8.869 1.00 0.00 H ATOM 82 H ARG A 225 1.212 22.893 -9.662 1.00 0.00 H ATOM 83 N ASN A 226 3.990 21.600 -11.173 1.00 17.23 N ATOM 84 CA ASN A 226 4.878 21.011 -12.164 1.00 19.36 C ATOM 85 C ASN A 226 5.333 22.011 -13.216 1.00 18.53 C ATOM 86 O ASN A 226 6.495 22.022 -13.611 1.00 19.62 O ATOM 87 CB ASN A 226 4.204 19.814 -12.835 1.00 21.43 C ATOM 88 CG ASN A 226 4.051 18.635 -11.899 1.00 29.36 C ATOM 89 OD1 ASN A 226 4.700 18.567 -10.857 1.00 33.25 O ATOM 90 ND2 ASN A 226 3.196 17.695 -12.269 1.00 29.19 N ATOM 91 HD22 ASN A 226 2.668 17.794 -13.159 1.00 0.00 H ATOM 92 HD21 ASN A 226 3.052 16.858 -11.669 1.00 0.00 H ATOM 93 H ASN A 226 3.011 21.256 -11.101 1.00 0.00 H ATOM 94 N ILE A 227 4.406 22.847 -13.670 1.00 20.82 N ATOM 95 CA ILE A 227 4.726 23.902 -14.624 1.00 17.49 C ATOM 96 C ILE A 227 5.788 24.849 -14.053 1.00 14.97 C ATOM 97 O ILE A 227 6.758 25.193 -14.728 1.00 19.98 O ATOM 98 CB ILE A 227 3.461 24.685 -14.984 1.00 20.16 C ATOM 99 CG1 ILE A 227 2.598 23.876 -15.955 1.00 22.09 C ATOM 100 CG2 ILE A 227 3.798 26.073 -15.546 1.00 24.67 C ATOM 101 CD1 ILE A 227 1.208 24.419 -16.088 1.00 26.16 C ATOM 102 H ILE A 227 3.426 22.746 -13.336 1.00 0.00 H ATOM 103 N MET A 228 5.610 25.265 -12.802 1.00 13.47 N ATOM 104 CA MET A 228 6.536 26.200 -12.181 1.00 11.35 C ATOM 105 C MET A 228 7.881 25.538 -11.884 1.00 12.94 C ATOM 106 O MET A 228 8.941 26.125 -12.103 1.00 12.43 O ATOM 107 CB MET A 228 5.912 26.805 -10.915 1.00 11.39 C ATOM 108 CG MET A 228 4.714 27.704 -11.207 1.00 14.00 C ATOM 109 SD MET A 228 3.983 28.223 -9.644 1.00 16.92 S ATOM 110 CE MET A 228 3.101 29.695 -10.151 1.00 15.25 C ATOM 111 H MET A 228 4.795 24.916 -12.258 1.00 0.00 H ATOM 112 N TYR A 229 7.838 24.288 -11.433 1.00 13.11 N ATOM 113 CA TYR A 229 9.057 23.549 -11.154 1.00 18.42 C ATOM 114 C TYR A 229 9.920 23.409 -12.405 1.00 20.46 C ATOM 115 O TYR A 229 11.147 23.437 -12.319 1.00 20.74 O ATOM 116 CB TYR A 229 8.724 22.151 -10.666 1.00 15.70 C ATOM 117 CG TYR A 229 8.503 21.982 -9.178 1.00 12.96 C ATOM 118 CD1 TYR A 229 8.261 23.063 -8.346 1.00 12.63 C ATOM 119 CD2 TYR A 229 8.523 20.712 -8.618 1.00 25.04 C ATOM 120 CE1 TYR A 229 8.063 22.882 -6.983 1.00 13.92 C ATOM 121 CE2 TYR A 229 8.325 20.523 -7.275 1.00 32.76 C ATOM 122 CZ TYR A 229 8.094 21.603 -6.461 1.00 21.41 C ATOM 123 OH TYR A 229 7.902 21.387 -5.119 1.00 22.43 O ATOM 124 HH TYR A 229 7.748 22.253 -4.665 1.00 0.00 H ATOM 125 H TYR A 229 6.916 23.832 -11.277 1.00 0.00 H ATOM 126 N ASP A 230 9.268 23.248 -13.557 1.00 14.51 N ATOM 127 CA ASP A 230 9.972 23.078 -14.823 1.00 19.59 C ATOM 128 C ASP A 230 10.915 24.241 -15.108 1.00 19.65 C ATOM 129 O ASP A 230 11.927 24.075 -15.787 1.00 27.61 O ATOM 130 CB ASP A 230 8.975 22.918 -15.976 1.00 23.36 C ATOM 131 CG ASP A 230 9.644 22.510 -17.273 1.00 31.33 C ATOM 132 OD1 ASP A 230 10.169 21.378 -17.337 1.00 35.00 O ATOM 133 OD2 ASP A 230 9.639 23.314 -18.231 1.00 38.53 O ATOM 134 H ASP A 230 8.228 23.244 -13.553 1.00 0.00 H ATOM 135 N HIS A 231 10.581 25.413 -14.585 1.00 14.93 N ATOM 136 CA HIS A 231 11.373 26.615 -14.823 1.00 15.38 C ATOM 137 C HIS A 231 12.456 26.878 -13.771 1.00 15.86 C ATOM 138 O HIS A 231 13.265 27.796 -13.926 1.00 22.28 O ATOM 139 CB HIS A 231 10.438 27.827 -14.923 1.00 14.83 C ATOM 140 CG HIS A 231 9.574 27.815 -16.145 1.00 19.42 C ATOM 141 ND1 HIS A 231 9.947 28.422 -17.324 1.00 20.28 N ATOM 142 CD2 HIS A 231 8.361 27.257 -16.373 1.00 14.74 C ATOM 143 CE1 HIS A 231 8.995 28.244 -18.227 1.00 20.63 C ATOM 144 NE2 HIS A 231 8.026 27.538 -17.675 1.00 21.94 N ATOM 145 H HIS A 231 9.731 25.477 -13.989 1.00 0.00 H ATOM 146 N LEU A 232 12.480 26.089 -12.699 1.00 12.53 N ATOM 147 CA LEU A 232 13.438 26.336 -11.623 1.00 8.28 C ATOM 148 C LEU A 232 14.694 25.480 -11.706 1.00 13.98 C ATOM 149 O LEU A 232 14.612 24.292 -12.005 1.00 17.76 O ATOM 150 CB LEU A 232 12.768 26.134 -10.252 1.00 9.52 C ATOM 151 CG LEU A 232 11.707 27.177 -9.861 1.00 13.20 C ATOM 152 CD1 LEU A 232 11.041 26.810 -8.534 1.00 13.13 C ATOM 153 CD2 LEU A 232 12.338 28.542 -9.771 1.00 15.16 C ATOM 154 H LEU A 232 11.814 25.293 -12.627 1.00 0.00 H ATOM 155 N PRO A 233 15.865 26.082 -11.435 1.00 17.17 N ATOM 156 CA PRO A 233 17.099 25.297 -11.342 1.00 21.18 C ATOM 157 C PRO A 233 17.172 24.551 -10.008 1.00 15.34 C ATOM 158 O PRO A 233 16.584 24.995 -9.022 1.00 16.26 O ATOM 159 CB PRO A 233 18.202 26.361 -11.426 1.00 17.92 C ATOM 160 CG PRO A 233 17.573 27.596 -10.854 1.00 14.45 C ATOM 161 CD PRO A 233 16.107 27.528 -11.262 1.00 15.39 C ATOM 162 N GLY A 234 17.870 23.423 -9.989 1.00 16.50 N ATOM 163 CA GLY A 234 18.076 22.685 -8.752 1.00 20.70 C ATOM 164 C GLY A 234 16.818 21.963 -8.306 1.00 23.99 C ATOM 165 O GLY A 234 15.882 21.789 -9.091 1.00 19.33 O ATOM 166 H GLY A 234 18.277 23.060 -10.874 1.00 0.00 H ATOM 167 N PHE A 235 16.797 21.529 -7.050 1.00 18.04 N ATOM 168 CA PHE A 235 15.604 20.911 -6.486 1.00 21.05 C ATOM 169 C PHE A 235 15.573 21.048 -4.972 1.00 14.48 C ATOM 170 O PHE A 235 16.609 21.071 -4.324 1.00 15.21 O ATOM 171 CB PHE A 235 15.459 19.442 -6.898 1.00 25.86 C ATOM 172 CG PHE A 235 14.037 18.950 -6.846 1.00 30.20 C ATOM 173 CD1 PHE A 235 13.085 19.446 -7.735 1.00 28.45 C ATOM 174 CD2 PHE A 235 13.641 18.020 -5.897 1.00 30.28 C ATOM 175 CE1 PHE A 235 11.769 19.022 -7.687 1.00 25.65 C ATOM 176 CE2 PHE A 235 12.320 17.581 -5.840 1.00 34.57 C ATOM 177 CZ PHE A 235 11.384 18.082 -6.737 1.00 35.33 C ATOM 178 H PHE A 235 17.647 21.632 -6.459 1.00 0.00 H ATOM 179 N GLY A 236 14.369 21.154 -4.433 1.00 14.34 N ATOM 180 CA GLY A 236 14.171 21.379 -3.018 1.00 19.64 C ATOM 181 C GLY A 236 14.752 22.704 -2.557 1.00 16.76 C ATOM 182 O GLY A 236 15.187 22.817 -1.408 1.00 17.71 O ATOM 183 H GLY A 236 13.535 21.073 -5.049 1.00 0.00 H ATOM 184 N THR A 237 14.780 23.698 -3.441 1.00 13.58 N ATOM 185 CA THR A 237 15.272 25.029 -3.060 1.00 15.06 C ATOM 186 C THR A 237 14.164 25.833 -2.396 1.00 11.80 C ATOM 187 O THR A 237 13.011 25.416 -2.389 1.00 9.93 O ATOM 188 CB THR A 237 15.811 25.842 -4.262 1.00 13.24 C ATOM 189 OG1 THR A 237 14.719 26.320 -5.071 1.00 11.19 O ATOM 190 CG2 THR A 237 16.788 24.997 -5.113 1.00 19.12 C ATOM 191 HG1 THR A 237 14.198 25.549 -5.409 1.00 0.00 H ATOM 192 H THR A 237 14.450 23.531 -4.413 1.00 0.00 H ATOM 193 N ALA A 238 14.508 26.976 -1.813 1.00 11.44 N ATOM 194 CA ALA A 238 13.482 27.842 -1.224 1.00 14.48 C ATOM 195 C ALA A 238 12.440 28.297 -2.255 1.00 10.97 C ATOM 196 O ALA A 238 11.274 28.477 -1.919 1.00 9.46 O ATOM 197 CB ALA A 238 14.108 29.037 -0.540 1.00 15.64 C ATOM 198 H ALA A 238 15.508 27.257 -1.774 1.00 0.00 H ATOM 199 N PHE A 239 12.844 28.453 -3.511 1.00 9.45 N ATOM 200 CA PHE A 239 11.869 28.776 -4.555 1.00 11.91 C ATOM 201 C PHE A 239 10.897 27.641 -4.854 1.00 10.95 C ATOM 202 O PHE A 239 9.748 27.893 -5.194 1.00 8.59 O ATOM 203 CB PHE A 239 12.548 29.305 -5.827 1.00 11.06 C ATOM 204 CG PHE A 239 12.912 30.759 -5.723 1.00 13.15 C ATOM 205 CD1 PHE A 239 11.939 31.734 -5.878 1.00 13.30 C ATOM 206 CD2 PHE A 239 14.204 31.140 -5.430 1.00 16.06 C ATOM 207 CE1 PHE A 239 12.253 33.077 -5.759 1.00 20.54 C ATOM 208 CE2 PHE A 239 14.530 32.471 -5.303 1.00 15.19 C ATOM 209 CZ PHE A 239 13.550 33.444 -5.468 1.00 14.31 C ATOM 210 H PHE A 239 13.850 28.346 -3.752 1.00 0.00 H ATOM 211 N HIS A 240 11.358 26.396 -4.724 1.00 8.12 N ATOM 212 CA HIS A 240 10.476 25.254 -4.867 1.00 10.24 C ATOM 213 C HIS A 240 9.436 25.231 -3.738 1.00 13.09 C ATOM 214 O HIS A 240 8.272 24.914 -3.960 1.00 9.66 O ATOM 215 CB HIS A 240 11.277 23.952 -4.835 1.00 10.81 C ATOM 216 CG HIS A 240 12.059 23.683 -6.087 1.00 10.62 C ATOM 217 ND1 HIS A 240 13.331 24.169 -6.298 1.00 16.19 N ATOM 218 CD2 HIS A 240 11.743 22.966 -7.198 1.00 14.77 C ATOM 219 CE1 HIS A 240 13.765 23.772 -7.483 1.00 16.53 C ATOM 220 NE2 HIS A 240 12.818 23.034 -8.044 1.00 15.51 N ATOM 221 H HIS A 240 12.365 26.242 -4.517 1.00 0.00 H ATOM 222 N GLN A 241 9.857 25.549 -2.520 1.00 11.82 N ATOM 223 CA GLN A 241 8.903 25.603 -1.414 1.00 12.25 C ATOM 224 C GLN A 241 7.907 26.745 -1.638 1.00 8.33 C ATOM 225 O GLN A 241 6.719 26.609 -1.329 1.00 9.27 O ATOM 226 CB GLN A 241 9.629 25.741 -0.063 1.00 10.38 C ATOM 227 CG GLN A 241 8.699 25.770 1.136 1.00 14.15 C ATOM 228 CD GLN A 241 7.936 24.474 1.322 1.00 24.60 C ATOM 229 OE1 GLN A 241 8.374 23.418 0.877 1.00 27.04 O ATOM 230 NE2 GLN A 241 6.787 24.551 1.984 1.00 24.46 N ATOM 231 HE22 GLN A 241 6.454 25.468 2.344 1.00 0.00 H ATOM 232 HE21 GLN A 241 6.220 23.694 2.143 1.00 0.00 H ATOM 233 H GLN A 241 10.862 25.759 -2.353 1.00 0.00 H ATOM 234 N LEU A 242 8.387 27.869 -2.177 1.00 9.23 N ATOM 235 CA LEU A 242 7.501 28.991 -2.507 1.00 10.76 C ATOM 236 C LEU A 242 6.445 28.580 -3.525 1.00 11.94 C ATOM 237 O LEU A 242 5.282 28.955 -3.382 1.00 9.37 O ATOM 238 CB LEU A 242 8.275 30.220 -2.990 1.00 9.88 C ATOM 239 CG LEU A 242 7.428 31.423 -3.429 1.00 13.05 C ATOM 240 CD1 LEU A 242 6.554 31.935 -2.279 1.00 13.87 C ATOM 241 CD2 LEU A 242 8.310 32.551 -3.974 1.00 12.01 C ATOM 242 H LEU A 242 9.406 27.950 -2.366 1.00 0.00 H ATOM 243 N VAL A 243 6.837 27.794 -4.529 1.00 9.31 N ATOM 244 CA VAL A 243 5.855 27.219 -5.463 1.00 8.01 C ATOM 245 C VAL A 243 4.789 26.428 -4.707 1.00 9.53 C ATOM 246 O VAL A 243 3.585 26.588 -4.953 1.00 11.43 O ATOM 247 CB VAL A 243 6.515 26.329 -6.543 1.00 8.09 C ATOM 248 CG1 VAL A 243 5.455 25.522 -7.316 1.00 9.27 C ATOM 249 CG2 VAL A 243 7.348 27.159 -7.493 1.00 9.23 C ATOM 250 H VAL A 243 7.848 27.585 -4.653 1.00 0.00 H ATOM 251 N GLN A 244 5.217 25.587 -3.771 1.00 9.43 N ATOM 252 CA GLN A 244 4.268 24.780 -3.024 1.00 12.08 C ATOM 253 C GLN A 244 3.286 25.629 -2.228 1.00 12.24 C ATOM 254 O GLN A 244 2.086 25.343 -2.213 1.00 12.77 O ATOM 255 CB GLN A 244 4.986 23.780 -2.115 1.00 17.23 C ATOM 256 CG GLN A 244 5.715 22.700 -2.891 1.00 24.50 C ATOM 257 CD GLN A 244 6.490 21.766 -1.994 1.00 36.97 C ATOM 258 OE1 GLN A 244 5.942 21.199 -1.052 1.00 42.54 O ATOM 259 NE2 GLN A 244 7.781 21.612 -2.275 1.00 42.94 N ATOM 260 HE22 GLN A 244 8.201 22.113 -3.084 1.00 0.00 H ATOM 261 HE21 GLN A 244 8.371 20.990 -1.686 1.00 0.00 H ATOM 262 H GLN A 244 6.235 25.506 -3.573 1.00 0.00 H ATOM 263 N VAL A 245 3.800 26.681 -1.592 1.00 11.07 N ATOM 264 CA VAL A 245 2.967 27.603 -0.815 1.00 8.57 C ATOM 265 C VAL A 245 1.987 28.376 -1.698 1.00 9.78 C ATOM 266 O VAL A 245 0.813 28.550 -1.339 1.00 13.06 O ATOM 267 CB VAL A 245 3.834 28.568 0.023 1.00 12.62 C ATOM 268 CG1 VAL A 245 2.997 29.723 0.582 1.00 13.78 C ATOM 269 CG2 VAL A 245 4.536 27.795 1.152 1.00 13.59 C ATOM 270 H VAL A 245 4.824 26.853 -1.649 1.00 0.00 H ATOM 271 N ILE A 246 2.468 28.832 -2.849 1.00 8.48 N ATOM 272 CA ILE A 246 1.627 29.552 -3.797 1.00 9.37 C ATOM 273 C ILE A 246 0.493 28.643 -4.281 1.00 14.46 C ATOM 274 O ILE A 246 -0.660 29.061 -4.338 1.00 11.63 O ATOM 275 CB ILE A 246 2.472 30.094 -4.968 1.00 8.77 C ATOM 276 CG1 ILE A 246 3.308 31.294 -4.498 1.00 9.44 C ATOM 277 CG2 ILE A 246 1.600 30.468 -6.153 1.00 10.60 C ATOM 278 CD1 ILE A 246 4.392 31.703 -5.496 1.00 12.34 C ATOM 279 H ILE A 246 3.469 28.671 -3.079 1.00 0.00 H ATOM 280 N CYS A 247 0.810 27.390 -4.581 1.00 8.65 N ATOM 281 CA CYS A 247 -0.220 26.466 -5.085 1.00 14.22 C ATOM 282 C CYS A 247 -1.229 26.110 -4.007 1.00 14.33 C ATOM 283 O CYS A 247 -2.425 25.955 -4.274 1.00 15.98 O ATOM 284 CB CYS A 247 0.412 25.202 -5.652 1.00 17.52 C ATOM 285 SG CYS A 247 1.295 25.499 -7.199 1.00 19.19 S ATOM 286 H CYS A 247 1.789 27.059 -4.460 1.00 0.00 H ATOM 287 N LYS A 248 -0.747 25.986 -2.778 1.00 13.33 N ATOM 288 CA LYS A 248 -1.604 25.605 -1.660 1.00 16.64 C ATOM 289 C LYS A 248 -2.588 26.719 -1.346 1.00 12.01 C ATOM 290 O LYS A 248 -3.788 26.491 -1.260 1.00 14.41 O ATOM 291 CB LYS A 248 -0.753 25.258 -0.426 1.00 19.66 C ATOM 292 CG LYS A 248 -1.541 24.998 0.860 1.00 28.93 C ATOM 293 CD LYS A 248 -2.351 23.716 0.788 1.00 35.04 C ATOM 294 CE LYS A 248 -2.621 23.151 2.184 1.00 43.20 C ATOM 295 NZ LYS A 248 -3.463 24.053 3.028 1.00 38.60 N ATOM 296 HZ1 LYS A 248 -2.980 24.967 3.145 1.00 0.00 H ATOM 297 HZ2 LYS A 248 -4.382 24.202 2.564 1.00 0.00 H ATOM 298 HZ3 LYS A 248 -3.611 23.616 3.960 1.00 0.00 H ATOM 299 H LYS A 248 0.263 26.164 -2.607 1.00 0.00 H ATOM 300 N LEU A 249 -2.077 27.939 -1.184 1.00 11.50 N ATOM 301 CA LEU A 249 -2.945 29.066 -0.885 1.00 14.28 C ATOM 302 C LEU A 249 -3.820 29.409 -2.080 1.00 14.04 C ATOM 303 O LEU A 249 -4.963 29.834 -1.917 1.00 16.72 O ATOM 304 CB LEU A 249 -2.118 30.275 -0.451 1.00 13.21 C ATOM 305 CG LEU A 249 -1.423 30.069 0.900 1.00 21.87 C ATOM 306 CD1 LEU A 249 -0.711 31.338 1.332 1.00 18.74 C ATOM 307 CD2 LEU A 249 -2.409 29.628 1.956 1.00 30.23 C ATOM 308 H LEU A 249 -1.051 28.086 -1.272 1.00 0.00 H ATOM 309 N GLY A 250 -3.277 29.222 -3.277 1.00 10.44 N ATOM 310 CA GLY A 250 -4.031 29.421 -4.502 1.00 13.03 C ATOM 311 C GLY A 250 -5.204 28.465 -4.602 1.00 18.19 C ATOM 312 O GLY A 250 -6.310 28.850 -4.974 1.00 13.06 O ATOM 313 H GLY A 250 -2.282 28.924 -3.339 1.00 0.00 H ATOM 314 N LYS A 251 -4.970 27.202 -4.279 1.00 11.73 N ATOM 315 CA LYS A 251 -6.061 26.222 -4.332 1.00 13.81 C ATOM 316 C LYS A 251 -7.152 26.555 -3.313 1.00 13.98 C ATOM 317 O LYS A 251 -8.342 26.533 -3.624 1.00 16.61 O ATOM 318 CB LYS A 251 -5.526 24.803 -4.111 1.00 16.78 C ATOM 319 CG LYS A 251 -6.590 23.730 -4.129 1.00 27.68 C ATOM 320 CD LYS A 251 -5.969 22.350 -4.027 1.00 35.75 C ATOM 321 CE LYS A 251 -7.027 21.275 -3.972 1.00 43.82 C ATOM 322 NZ LYS A 251 -6.406 19.928 -3.915 1.00 54.87 N ATOM 323 HZ1 LYS A 251 -5.821 19.781 -4.762 1.00 0.00 H ATOM 324 HZ2 LYS A 251 -5.811 19.858 -3.065 1.00 0.00 H ATOM 325 HZ3 LYS A 251 -7.152 19.205 -3.878 1.00 0.00 H ATOM 326 H LYS A 251 -4.016 26.906 -3.989 1.00 0.00 H ATOM 327 N ASP A 252 -6.752 26.865 -2.088 1.00 15.91 N ATOM 328 CA ASP A 252 -7.721 27.195 -1.046 1.00 17.93 C ATOM 329 C ASP A 252 -8.544 28.470 -1.322 1.00 17.43 C ATOM 330 O ASP A 252 -9.594 28.665 -0.724 1.00 17.85 O ATOM 331 CB ASP A 252 -7.025 27.295 0.313 1.00 20.54 C ATOM 332 CG ASP A 252 -6.455 25.953 0.777 1.00 26.61 C ATOM 333 OD1 ASP A 252 -6.879 24.906 0.235 1.00 34.60 O ATOM 334 OD2 ASP A 252 -5.586 25.950 1.680 1.00 30.28 O ATOM 335 H ASP A 252 -5.736 26.873 -1.866 1.00 0.00 H ATOM 336 N SER A 253 -8.067 29.330 -2.217 1.00 15.79 N ATOM 337 CA SER A 253 -8.772 30.565 -2.553 1.00 15.10 C ATOM 338 C SER A 253 -9.262 30.560 -3.994 1.00 15.29 C ATOM 339 O SER A 253 -9.568 31.620 -4.549 1.00 16.56 O ATOM 340 CB SER A 253 -7.871 31.781 -2.328 1.00 18.30 C ATOM 341 OG SER A 253 -7.606 31.977 -0.951 1.00 25.26 O ATOM 342 HG SER A 253 -7.152 31.176 -0.586 1.00 0.00 H ATOM 343 H SER A 253 -7.166 29.118 -2.691 1.00 0.00 H ATOM 344 N ASN A 254 -9.308 29.376 -4.594 1.00 12.07 N ATOM 345 CA ASN A 254 -9.803 29.200 -5.956 1.00 16.31 C ATOM 346 C ASN A 254 -9.156 30.163 -6.937 1.00 13.15 C ATOM 347 O ASN A 254 -9.822 30.673 -7.827 1.00 12.05 O ATOM 348 CB ASN A 254 -11.321 29.376 -6.005 1.00 22.12 C ATOM 349 CG ASN A 254 -11.995 28.319 -6.853 1.00 40.87 C ATOM 350 OD1 ASN A 254 -12.686 27.437 -6.334 1.00 38.54 O ATOM 351 ND2 ASN A 254 -11.794 28.396 -8.169 1.00 46.11 N ATOM 352 HD22 ASN A 254 -11.204 29.157 -8.561 1.00 0.00 H ATOM 353 HD21 ASN A 254 -12.227 27.695 -8.803 1.00 0.00 H ATOM 354 H ASN A 254 -8.978 28.539 -4.072 1.00 0.00 H ATOM 355 N SER A 255 -7.855 30.389 -6.778 1.00 9.52 N ATOM 356 CA SER A 255 -7.164 31.415 -7.563 1.00 13.26 C ATOM 357 C SER A 255 -6.029 30.861 -8.414 1.00 9.44 C ATOM 358 O SER A 255 -5.124 31.603 -8.821 1.00 9.37 O ATOM 359 CB SER A 255 -6.622 32.503 -6.634 1.00 10.42 C ATOM 360 OG SER A 255 -7.688 33.173 -5.979 1.00 16.25 O ATOM 361 HG SER A 255 -8.207 32.521 -5.444 1.00 0.00 H ATOM 362 H SER A 255 -7.319 29.828 -6.085 1.00 0.00 H ATOM 363 N LEU A 256 -6.072 29.567 -8.711 1.00 8.96 N ATOM 364 CA LEU A 256 -4.978 28.965 -9.472 1.00 12.11 C ATOM 365 C LEU A 256 -4.896 29.532 -10.880 1.00 12.54 C ATOM 366 O LEU A 256 -3.807 29.685 -11.417 1.00 10.42 O ATOM 367 CB LEU A 256 -5.111 27.442 -9.523 1.00 11.38 C ATOM 368 CG LEU A 256 -4.976 26.702 -8.186 1.00 15.41 C ATOM 369 CD1 LEU A 256 -5.285 25.228 -8.375 1.00 15.71 C ATOM 370 CD2 LEU A 256 -3.578 26.886 -7.602 1.00 14.15 C ATOM 371 H LEU A 256 -6.878 28.986 -8.404 1.00 0.00 H ATOM 372 N ASP A 257 -6.043 29.854 -11.471 1.00 14.73 N ATOM 373 CA ASP A 257 -6.031 30.423 -12.817 1.00 14.32 C ATOM 374 C ASP A 257 -5.288 31.759 -12.922 1.00 11.90 C ATOM 375 O ASP A 257 -4.429 31.915 -13.795 1.00 12.85 O ATOM 376 CB ASP A 257 -7.439 30.575 -13.395 1.00 18.70 C ATOM 377 CG ASP A 257 -7.410 31.068 -14.821 1.00 20.69 C ATOM 378 OD1 ASP A 257 -7.459 32.305 -15.041 1.00 22.96 O ATOM 379 OD2 ASP A 257 -7.309 30.212 -15.728 1.00 26.51 O ATOM 380 H ASP A 257 -6.945 29.701 -10.977 1.00 0.00 H ATOM 381 N ILE A 258 -5.629 32.729 -12.064 1.00 12.65 N ATOM 382 CA ILE A 258 -4.956 34.036 -12.112 1.00 10.90 C ATOM 383 C ILE A 258 -3.481 33.921 -11.724 1.00 9.92 C ATOM 384 O ILE A 258 -2.644 34.636 -12.257 1.00 10.59 O ATOM 385 CB ILE A 258 -5.676 35.141 -11.263 1.00 13.41 C ATOM 386 CG1 ILE A 258 -5.025 36.519 -11.482 1.00 19.02 C ATOM 387 CG2 ILE A 258 -5.675 34.777 -9.776 1.00 13.13 C ATOM 388 CD1 ILE A 258 -4.917 36.943 -12.948 1.00 20.31 C ATOM 389 H ILE A 258 -6.374 32.557 -11.359 1.00 0.00 H ATOM 390 N ILE A 259 -3.149 33.004 -10.818 1.00 10.91 N ATOM 391 CA ILE A 259 -1.748 32.793 -10.459 1.00 8.44 C ATOM 392 C ILE A 259 -0.957 32.276 -11.669 1.00 8.66 C ATOM 393 O ILE A 259 0.148 32.738 -11.953 1.00 11.19 O ATOM 394 CB ILE A 259 -1.609 31.839 -9.241 1.00 9.42 C ATOM 395 CG1 ILE A 259 -2.124 32.547 -7.976 1.00 13.24 C ATOM 396 CG2 ILE A 259 -0.151 31.403 -9.088 1.00 13.60 C ATOM 397 CD1 ILE A 259 -2.459 31.613 -6.797 1.00 15.76 C ATOM 398 H ILE A 259 -3.891 32.434 -10.363 1.00 0.00 H ATOM 399 N HIS A 260 -1.534 31.315 -12.390 1.00 8.89 N ATOM 400 CA HIS A 260 -0.881 30.773 -13.570 1.00 11.73 C ATOM 401 C HIS A 260 -0.704 31.868 -14.635 1.00 13.03 C ATOM 402 O HIS A 260 0.362 32.000 -15.236 1.00 13.61 O ATOM 403 CB HIS A 260 -1.674 29.563 -14.108 1.00 11.86 C ATOM 404 CG HIS A 260 -1.097 28.979 -15.357 1.00 15.01 C ATOM 405 ND1 HIS A 260 -1.772 28.970 -16.558 1.00 25.60 N ATOM 406 CD2 HIS A 260 0.111 28.420 -15.602 1.00 15.12 C ATOM 407 CE1 HIS A 260 -1.016 28.408 -17.483 1.00 26.02 C ATOM 408 NE2 HIS A 260 0.135 28.067 -16.927 1.00 17.06 N ATOM 409 H HIS A 260 -2.464 30.948 -12.104 1.00 0.00 H ATOM 410 N ALA A 261 -1.735 32.685 -14.826 1.00 10.08 N ATOM 411 CA ALA A 261 -1.694 33.734 -15.837 1.00 11.13 C ATOM 412 C ALA A 261 -0.653 34.803 -15.508 1.00 13.58 C ATOM 413 O ALA A 261 0.027 35.300 -16.404 1.00 14.73 O ATOM 414 CB ALA A 261 -3.078 34.347 -16.045 1.00 12.07 C ATOM 415 H ALA A 261 -2.588 32.573 -14.242 1.00 0.00 H ATOM 416 N GLU A 262 -0.510 35.128 -14.225 1.00 12.35 N ATOM 417 CA GLU A 262 0.479 36.114 -13.796 1.00 13.03 C ATOM 418 C GLU A 262 1.873 35.540 -13.985 1.00 12.89 C ATOM 419 O GLU A 262 2.796 36.238 -14.419 1.00 11.74 O ATOM 420 CB GLU A 262 0.264 36.522 -12.330 1.00 12.92 C ATOM 421 CG GLU A 262 -0.991 37.315 -12.058 1.00 15.49 C ATOM 422 CD GLU A 262 -0.872 38.786 -12.426 1.00 27.36 C ATOM 423 OE1 GLU A 262 0.234 39.232 -12.797 1.00 24.05 O ATOM 424 OE2 GLU A 262 -1.895 39.495 -12.338 1.00 28.05 O ATOM 425 H GLU A 262 -1.115 34.671 -13.513 1.00 0.00 H ATOM 426 N PHE A 263 2.028 34.268 -13.643 1.00 10.04 N ATOM 427 CA PHE A 263 3.311 33.589 -13.837 1.00 12.19 C ATOM 428 C PHE A 263 3.719 33.631 -15.305 1.00 15.75 C ATOM 429 O PHE A 263 4.845 33.998 -15.645 1.00 13.30 O ATOM 430 CB PHE A 263 3.239 32.145 -13.329 1.00 13.24 C ATOM 431 CG PHE A 263 4.540 31.379 -13.463 1.00 12.72 C ATOM 432 CD1 PHE A 263 5.609 31.654 -12.612 1.00 15.12 C ATOM 433 CD2 PHE A 263 4.685 30.378 -14.418 1.00 11.17 C ATOM 434 CE1 PHE A 263 6.811 30.946 -12.728 1.00 14.51 C ATOM 435 CE2 PHE A 263 5.870 29.675 -14.542 1.00 15.57 C ATOM 436 CZ PHE A 263 6.942 29.960 -13.691 1.00 16.46 C ATOM 437 H PHE A 263 1.228 33.746 -13.232 1.00 0.00 H ATOM 438 N GLN A 264 2.796 33.272 -16.186 1.00 10.65 N ATOM 439 CA GLN A 264 3.130 33.194 -17.603 1.00 11.51 C ATOM 440 C GLN A 264 3.407 34.577 -18.157 1.00 15.29 C ATOM 441 O GLN A 264 4.266 34.747 -19.019 1.00 14.62 O ATOM 442 CB GLN A 264 2.003 32.534 -18.407 1.00 15.59 C ATOM 443 CG GLN A 264 1.823 31.031 -18.161 1.00 16.08 C ATOM 444 CD GLN A 264 3.064 30.186 -18.501 1.00 30.64 C ATOM 445 OE1 GLN A 264 3.972 30.637 -19.196 1.00 31.57 O ATOM 446 NE2 GLN A 264 3.092 28.948 -18.005 1.00 26.81 N ATOM 447 HE22 GLN A 264 2.303 28.604 -17.421 1.00 0.00 H ATOM 448 HE21 GLN A 264 3.903 28.327 -18.202 1.00 0.00 H ATOM 449 H GLN A 264 1.833 33.046 -15.866 1.00 0.00 H ATOM 450 N ALA A 265 2.676 35.562 -17.651 1.00 12.14 N ATOM 451 CA ALA A 265 2.807 36.920 -18.145 1.00 15.67 C ATOM 452 C ALA A 265 4.157 37.504 -17.756 1.00 12.81 C ATOM 453 O ALA A 265 4.767 38.230 -18.534 1.00 18.11 O ATOM 454 CB ALA A 265 1.687 37.786 -17.625 1.00 21.08 C ATOM 455 H ALA A 265 1.999 35.358 -16.889 1.00 0.00 H ATOM 456 N SER A 266 4.611 37.202 -16.544 1.00 11.98 N ATOM 457 CA SER A 266 5.927 37.651 -16.116 1.00 12.48 C ATOM 458 C SER A 266 7.037 37.026 -16.947 1.00 13.05 C ATOM 459 O SER A 266 7.975 37.716 -17.355 1.00 13.19 O ATOM 460 CB SER A 266 6.149 37.383 -14.627 1.00 15.67 C ATOM 461 OG SER A 266 5.429 38.328 -13.854 1.00 26.33 O ATOM 462 HG SER A 266 5.578 38.148 -12.892 1.00 0.00 H ATOM 463 H SER A 266 4.021 36.641 -15.897 1.00 0.00 H ATOM 464 N LEU A 267 6.925 35.729 -17.210 1.00 13.21 N ATOM 465 CA LEU A 267 7.912 35.052 -18.055 1.00 13.58 C ATOM 466 C LEU A 267 7.934 35.646 -19.466 1.00 17.09 C ATOM 467 O LEU A 267 9.003 35.899 -20.024 1.00 17.22 O ATOM 468 CB LEU A 267 7.620 33.554 -18.134 1.00 13.46 C ATOM 469 CG LEU A 267 7.831 32.710 -16.881 1.00 17.40 C ATOM 470 CD1 LEU A 267 7.548 31.254 -17.198 1.00 24.06 C ATOM 471 CD2 LEU A 267 9.252 32.884 -16.356 1.00 17.47 C ATOM 472 H LEU A 267 6.130 35.189 -16.813 1.00 0.00 H ATOM 473 N ALA A 268 6.752 35.862 -20.034 1.00 17.82 N ATOM 474 CA ALA A 268 6.627 36.431 -21.373 1.00 18.82 C ATOM 475 C ALA A 268 7.223 37.839 -21.472 1.00 20.10 C ATOM 476 O ALA A 268 7.599 38.277 -22.556 1.00 19.76 O ATOM 477 CB ALA A 268 5.166 36.430 -21.817 1.00 17.70 C ATOM 478 H ALA A 268 5.889 35.618 -19.508 1.00 0.00 H ATOM 479 N GLU A 269 7.323 38.546 -20.347 1.00 23.46 N ATOM 480 CA GLU A 269 7.968 39.862 -20.343 1.00 26.38 C ATOM 481 C GLU A 269 9.492 39.798 -20.210 1.00 23.97 C ATOM 482 O GLU A 269 10.172 40.812 -20.350 1.00 21.49 O ATOM 483 CB GLU A 269 7.394 40.768 -19.246 1.00 34.92 C ATOM 484 CG GLU A 269 5.980 41.269 -19.514 1.00 48.78 C ATOM 485 CD GLU A 269 5.835 41.981 -20.858 1.00 63.76 C ATOM 486 OE1 GLU A 269 6.621 42.914 -21.142 1.00 64.98 O ATOM 487 OE2 GLU A 269 4.926 41.606 -21.633 1.00 69.57 O ATOM 488 H GLU A 269 6.939 38.159 -19.461 1.00 0.00 H ATOM 489 N GLY A 270 10.024 38.613 -19.927 1.00 18.57 N ATOM 490 CA GLY A 270 11.460 38.435 -19.799 1.00 19.47 C ATOM 491 C GLY A 270 11.971 38.299 -18.371 1.00 15.99 C ATOM 492 O GLY A 270 13.179 38.243 -18.147 1.00 15.77 O ATOM 493 H GLY A 270 9.397 37.794 -19.794 1.00 0.00 H ATOM 494 N ASP A 271 11.066 38.236 -17.399 1.00 15.53 N ATOM 495 CA ASP A 271 11.493 38.083 -16.005 1.00 16.55 C ATOM 496 C ASP A 271 12.039 36.679 -15.770 1.00 14.50 C ATOM 497 O ASP A 271 11.587 35.723 -16.397 1.00 15.28 O ATOM 498 CB ASP A 271 10.330 38.316 -15.036 1.00 17.68 C ATOM 499 CG ASP A 271 9.962 39.785 -14.884 1.00 30.93 C ATOM 500 OD1 ASP A 271 10.804 40.658 -15.185 1.00 38.56 O ATOM 501 OD2 ASP A 271 8.822 40.064 -14.449 1.00 39.51 O ATOM 502 H ASP A 271 10.053 38.295 -17.628 1.00 0.00 H ATOM 503 N SER A 272 12.994 36.554 -14.851 1.00 15.88 N ATOM 504 CA SER A 272 13.426 35.235 -14.412 1.00 13.82 C ATOM 505 C SER A 272 12.242 34.550 -13.725 1.00 15.66 C ATOM 506 O SER A 272 11.333 35.225 -13.239 1.00 14.57 O ATOM 507 CB SER A 272 14.580 35.352 -13.427 1.00 17.29 C ATOM 508 OG SER A 272 14.120 35.962 -12.232 1.00 15.55 O ATOM 509 HG SER A 272 14.871 36.038 -11.591 1.00 0.00 H ATOM 510 H SER A 272 13.434 37.404 -14.444 1.00 0.00 H ATOM 511 N PRO A 273 12.245 33.210 -13.694 1.00 11.40 N ATOM 512 CA PRO A 273 11.163 32.473 -13.032 1.00 11.36 C ATOM 513 C PRO A 273 11.110 32.813 -11.537 1.00 10.74 C ATOM 514 O PRO A 273 10.019 32.889 -10.952 1.00 11.47 O ATOM 515 CB PRO A 273 11.554 31.004 -13.249 1.00 13.93 C ATOM 516 CG PRO A 273 12.469 31.018 -14.406 1.00 22.89 C ATOM 517 CD PRO A 273 13.197 32.313 -14.372 1.00 16.68 C ATOM 518 N GLN A 274 12.270 33.051 -10.931 1.00 12.29 N ATOM 519 CA GLN A 274 12.321 33.435 -9.523 1.00 14.23 C ATOM 520 C GLN A 274 11.626 34.778 -9.306 1.00 14.35 C ATOM 521 O GLN A 274 10.828 34.910 -8.385 1.00 12.55 O ATOM 522 CB GLN A 274 13.768 33.490 -9.010 1.00 15.74 C ATOM 523 CG GLN A 274 14.542 32.162 -9.076 1.00 13.47 C ATOM 524 CD GLN A 274 15.216 31.902 -10.408 1.00 18.49 C ATOM 525 OE1 GLN A 274 14.973 32.598 -11.395 1.00 16.49 O ATOM 526 NE2 GLN A 274 16.072 30.876 -10.445 1.00 18.18 N ATOM 527 HE22 GLN A 274 16.248 30.314 -9.588 1.00 0.00 H ATOM 528 HE21 GLN A 274 16.562 30.639 -11.331 1.00 0.00 H ATOM 529 H GLN A 274 13.156 32.962 -11.469 1.00 0.00 H ATOM 530 N CYS A 275 11.928 35.765 -10.153 1.00 11.76 N ATOM 531 CA CYS A 275 11.265 37.071 -10.110 1.00 12.55 C ATOM 532 C CYS A 275 9.765 36.937 -10.337 1.00 10.57 C ATOM 533 O CYS A 275 8.961 37.592 -9.676 1.00 11.93 O ATOM 534 CB CYS A 275 11.864 38.007 -11.171 1.00 14.44 C ATOM 535 SG CYS A 275 11.078 39.633 -11.293 1.00 27.11 S ATOM 536 H CYS A 275 12.662 35.600 -10.871 1.00 0.00 H ATOM 537 N ALA A 276 9.390 36.086 -11.289 1.00 13.72 N ATOM 538 CA ALA A 276 7.971 35.868 -11.573 1.00 11.27 C ATOM 539 C ALA A 276 7.225 35.358 -10.349 1.00 10.81 C ATOM 540 O ALA A 276 6.096 35.781 -10.096 1.00 11.90 O ATOM 541 CB ALA A 276 7.798 34.901 -12.745 1.00 16.42 C ATOM 542 H ALA A 276 10.111 35.572 -11.835 1.00 0.00 H ATOM 543 N LEU A 277 7.843 34.449 -9.588 1.00 12.14 N ATOM 544 CA LEU A 277 7.206 33.934 -8.369 1.00 12.81 C ATOM 545 C LEU A 277 7.076 35.021 -7.292 1.00 9.22 C ATOM 546 O LEU A 277 6.036 35.153 -6.642 1.00 9.00 O ATOM 547 CB LEU A 277 7.963 32.713 -7.817 1.00 13.55 C ATOM 548 CG LEU A 277 7.954 31.455 -8.687 1.00 14.03 C ATOM 549 CD1 LEU A 277 8.969 30.438 -8.179 1.00 16.54 C ATOM 550 CD2 LEU A 277 6.561 30.836 -8.738 1.00 17.29 C ATOM 551 H LEU A 277 8.785 34.103 -9.862 1.00 0.00 H ATOM 552 N ILE A 278 8.133 35.809 -7.103 1.00 9.09 N ATOM 553 CA ILE A 278 8.045 36.920 -6.185 1.00 14.34 C ATOM 554 C ILE A 278 6.964 37.915 -6.617 1.00 15.60 C ATOM 555 O ILE A 278 6.216 38.413 -5.781 1.00 16.87 O ATOM 556 CB ILE A 278 9.404 37.617 -6.030 1.00 15.86 C ATOM 557 CG1 ILE A 278 10.429 36.621 -5.468 1.00 12.22 C ATOM 558 CG2 ILE A 278 9.288 38.820 -5.125 1.00 16.21 C ATOM 559 CD1 ILE A 278 10.155 36.214 -4.037 1.00 22.52 C ATOM 560 H ILE A 278 9.019 35.625 -7.615 1.00 0.00 H ATOM 561 N GLN A 279 6.850 38.186 -7.917 1.00 15.18 N ATOM 562 CA GLN A 279 5.853 39.167 -8.383 1.00 15.84 C ATOM 563 C GLN A 279 4.428 38.672 -8.110 1.00 18.56 C ATOM 564 O GLN A 279 3.516 39.456 -7.875 1.00 16.22 O ATOM 565 CB GLN A 279 6.018 39.484 -9.875 1.00 19.35 C ATOM 566 CG GLN A 279 7.250 40.302 -10.233 1.00 29.05 C ATOM 567 CD GLN A 279 7.190 41.732 -9.716 1.00 44.55 C ATOM 568 OE1 GLN A 279 6.182 42.171 -9.156 1.00 48.11 O ATOM 569 NE2 GLN A 279 8.276 42.471 -9.909 1.00 50.45 N ATOM 570 HE22 GLN A 279 9.105 42.062 -10.386 1.00 0.00 H ATOM 571 HE21 GLN A 279 8.298 43.459 -9.583 1.00 0.00 H ATOM 572 H GLN A 279 7.465 37.705 -8.604 1.00 0.00 H ATOM 573 N ILE A 280 4.243 37.362 -8.128 1.00 11.74 N ATOM 574 CA ILE A 280 2.943 36.795 -7.775 1.00 17.08 C ATOM 575 C ILE A 280 2.573 37.130 -6.331 1.00 11.67 C ATOM 576 O ILE A 280 1.429 37.506 -6.058 1.00 14.86 O ATOM 577 CB ILE A 280 2.934 35.268 -7.956 1.00 10.88 C ATOM 578 CG1 ILE A 280 2.771 34.898 -9.427 1.00 13.36 C ATOM 579 CG2 ILE A 280 1.806 34.626 -7.147 1.00 11.34 C ATOM 580 CD1 ILE A 280 3.208 33.458 -9.737 1.00 16.48 C ATOM 581 H ILE A 280 5.027 36.733 -8.395 1.00 0.00 H ATOM 582 N THR A 281 3.537 37.013 -5.414 1.00 13.11 N ATOM 583 CA THR A 281 3.288 37.331 -4.000 1.00 15.93 C ATOM 584 C THR A 281 2.964 38.821 -3.792 1.00 16.78 C ATOM 585 O THR A 281 2.407 39.202 -2.762 1.00 18.73 O ATOM 586 CB THR A 281 4.457 36.914 -3.054 1.00 14.43 C ATOM 587 OG1 THR A 281 5.588 37.767 -3.263 1.00 14.08 O ATOM 588 CG2 THR A 281 4.880 35.472 -3.295 1.00 11.06 C ATOM 589 HG1 THR A 281 5.888 37.691 -4.203 1.00 0.00 H ATOM 590 H THR A 281 4.482 36.691 -5.706 1.00 0.00 H ATOM 591 N LYS A 282 3.297 39.654 -4.774 1.00 23.37 N ATOM 592 CA LYS A 282 3.013 41.086 -4.693 1.00 29.83 C ATOM 593 C LYS A 282 1.836 41.545 -5.571 1.00 27.22 C ATOM 594 O LYS A 282 1.233 42.585 -5.300 1.00 30.35 O ATOM 595 CB LYS A 282 4.273 41.896 -5.022 1.00 34.18 C ATOM 596 CG LYS A 282 5.362 41.756 -3.972 1.00 37.02 C ATOM 597 CD LYS A 282 6.699 42.269 -4.468 1.00 45.03 C ATOM 598 CE LYS A 282 7.768 42.101 -3.396 1.00 53.08 C ATOM 599 NZ LYS A 282 9.080 42.660 -3.819 1.00 61.98 N ATOM 600 HZ1 LYS A 282 9.403 42.171 -4.678 1.00 0.00 H ATOM 601 HZ2 LYS A 282 8.975 43.676 -4.016 1.00 0.00 H ATOM 602 HZ3 LYS A 282 9.775 42.523 -3.058 1.00 0.00 H ATOM 603 H LYS A 282 3.771 39.278 -5.620 1.00 0.00 H ATOM 604 N ARG A 283 1.509 40.772 -6.605 1.00 25.63 N ATOM 605 CA ARG A 283 0.470 41.158 -7.570 1.00 25.07 C ATOM 606 C ARG A 283 -0.878 40.470 -7.364 1.00 28.25 C ATOM 607 O ARG A 283 -1.918 41.010 -7.750 1.00 29.64 O ATOM 608 CB ARG A 283 0.933 40.888 -9.007 1.00 28.78 C ATOM 609 CG ARG A 283 1.540 42.076 -9.727 1.00 43.83 C ATOM 610 CD ARG A 283 3.042 41.944 -9.837 1.00 49.71 C ATOM 611 NE ARG A 283 3.602 42.864 -10.821 1.00 56.80 N ATOM 612 CZ ARG A 283 4.193 42.491 -11.952 1.00 57.99 C ATOM 613 NH1 ARG A 283 4.320 41.205 -12.253 1.00 52.74 N ATOM 614 NH2 ARG A 283 4.667 43.410 -12.782 1.00 62.17 N ATOM 615 HE ARG A 283 3.534 43.883 -10.624 1.00 0.00 H ATOM 616 HH12 ARG A 283 4.784 40.922 -13.140 1.00 0.00 H ATOM 617 HH11 ARG A 283 3.956 40.480 -11.602 1.00 0.00 H ATOM 618 HH22 ARG A 283 5.130 43.122 -13.668 1.00 0.00 H ATOM 619 HH21 ARG A 283 4.576 44.419 -12.547 1.00 0.00 H ATOM 620 H ARG A 283 2.004 39.867 -6.734 1.00 0.00 H ATOM 621 N VAL A 284 -0.870 39.270 -6.793 1.00 16.22 N ATOM 622 CA VAL A 284 -2.125 38.544 -6.584 1.00 16.50 C ATOM 623 C VAL A 284 -2.634 38.839 -5.175 1.00 17.29 C ATOM 624 O VAL A 284 -1.937 38.580 -4.208 1.00 16.62 O ATOM 625 CB VAL A 284 -1.939 37.026 -6.804 1.00 15.17 C ATOM 626 CG1 VAL A 284 -3.217 36.281 -6.522 1.00 15.81 C ATOM 627 CG2 VAL A 284 -1.464 36.754 -8.232 1.00 17.40 C ATOM 628 H VAL A 284 0.031 38.845 -6.493 1.00 0.00 H ATOM 629 N PRO A 285 -3.845 39.413 -5.069 1.00 22.43 N ATOM 630 CA PRO A 285 -4.381 39.965 -3.819 1.00 22.22 C ATOM 631 C PRO A 285 -4.401 39.014 -2.630 1.00 22.02 C ATOM 632 O PRO A 285 -4.275 39.481 -1.506 1.00 21.82 O ATOM 633 CB PRO A 285 -5.812 40.350 -4.198 1.00 27.65 C ATOM 634 CG PRO A 285 -5.728 40.657 -5.646 1.00 34.62 C ATOM 635 CD PRO A 285 -4.723 39.706 -6.216 1.00 27.58 C ATOM 636 N ILE A 286 -4.572 37.717 -2.850 1.00 18.65 N ATOM 637 CA ILE A 286 -4.572 36.783 -1.718 1.00 24.09 C ATOM 638 C ILE A 286 -3.243 36.743 -0.950 1.00 20.62 C ATOM 639 O ILE A 286 -3.213 36.327 0.210 1.00 21.72 O ATOM 640 CB ILE A 286 -4.970 35.351 -2.133 1.00 22.74 C ATOM 641 CG1 ILE A 286 -3.844 34.701 -2.940 1.00 21.85 C ATOM 642 CG2 ILE A 286 -6.276 35.357 -2.913 1.00 25.77 C ATOM 643 CD1 ILE A 286 -4.120 33.281 -3.323 1.00 26.68 C ATOM 644 H ILE A 286 -4.705 37.364 -3.819 1.00 0.00 H ATOM 645 N PHE A 287 -2.150 37.185 -1.577 1.00 16.41 N ATOM 646 CA PHE A 287 -0.842 37.179 -0.911 1.00 15.61 C ATOM 647 C PHE A 287 -0.467 38.526 -0.285 1.00 23.34 C ATOM 648 O PHE A 287 0.472 38.613 0.501 1.00 23.46 O ATOM 649 CB PHE A 287 0.271 36.742 -1.876 1.00 16.04 C ATOM 650 CG PHE A 287 0.049 35.393 -2.475 1.00 16.66 C ATOM 651 CD1 PHE A 287 0.205 34.250 -1.711 1.00 17.23 C ATOM 652 CD2 PHE A 287 -0.319 35.260 -3.811 1.00 14.47 C ATOM 653 CE1 PHE A 287 -0.013 32.992 -2.264 1.00 20.80 C ATOM 654 CE2 PHE A 287 -0.537 34.013 -4.365 1.00 19.04 C ATOM 655 CZ PHE A 287 -0.386 32.870 -3.588 1.00 15.29 C ATOM 656 H PHE A 287 -2.227 37.539 -2.552 1.00 0.00 H ATOM 657 N GLN A 288 -1.195 39.577 -0.633 1.00 26.81 N ATOM 658 CA GLN A 288 -0.840 40.912 -0.153 1.00 29.22 C ATOM 659 C GLN A 288 -1.081 41.042 1.351 1.00 27.18 C ATOM 660 O GLN A 288 -2.202 40.897 1.823 1.00 28.34 O ATOM 661 CB GLN A 288 -1.575 41.991 -0.967 1.00 33.38 C ATOM 662 CG GLN A 288 -1.003 42.125 -2.382 1.00 33.40 C ATOM 663 CD GLN A 288 -1.973 42.730 -3.385 1.00 38.97 C ATOM 664 OE1 GLN A 288 -3.073 43.163 -3.032 1.00 38.67 O ATOM 665 NE2 GLN A 288 -1.565 42.759 -4.651 1.00 36.87 N ATOM 666 HE22 GLN A 288 -0.629 42.383 -4.904 1.00 0.00 H ATOM 667 HE21 GLN A 288 -2.182 43.158 -5.387 1.00 0.00 H ATOM 668 H GLN A 288 -2.023 39.452 -1.250 1.00 0.00 H ATOM 669 N ASP A 289 0.002 41.271 2.092 1.00 35.59 N ATOM 670 CA ASP A 289 -0.038 41.391 3.552 1.00 41.92 C ATOM 671 C ASP A 289 -0.482 40.095 4.249 1.00 40.12 C ATOM 672 O ASP A 289 -0.998 40.135 5.357 1.00 44.73 O ATOM 673 CB ASP A 289 -0.921 42.571 3.978 1.00 58.79 C ATOM 674 CG ASP A 289 -0.515 43.152 5.320 1.00 72.10 C ATOM 675 OD1 ASP A 289 0.703 43.233 5.592 1.00 73.43 O ATOM 676 OD2 ASP A 289 -1.416 43.527 6.103 1.00 78.71 O ATOM 677 H ASP A 289 0.919 41.369 1.612 1.00 0.00 H ATOM 678 N ALA A 290 -0.262 38.952 3.600 1.00 34.47 N ATOM 679 CA ALA A 290 -0.621 37.649 4.168 1.00 26.82 C ATOM 680 C ALA A 290 0.539 37.024 4.949 1.00 24.63 C ATOM 681 O ALA A 290 1.698 37.176 4.579 1.00 21.07 O ATOM 682 CB ALA A 290 -1.082 36.698 3.076 1.00 25.81 C ATOM 683 H ALA A 290 0.179 38.985 2.659 1.00 0.00 H ATOM 684 N ALA A 291 0.218 36.315 6.025 1.00 26.88 N ATOM 685 CA ALA A 291 1.236 35.648 6.827 1.00 24.25 C ATOM 686 C ALA A 291 1.616 34.329 6.176 1.00 18.66 C ATOM 687 O ALA A 291 0.785 33.700 5.523 1.00 21.81 O ATOM 688 CB ALA A 291 0.723 35.411 8.238 1.00 32.96 C ATOM 689 H ALA A 291 -0.781 36.234 6.301 1.00 0.00 H ATOM 690 N PRO A 292 2.877 33.904 6.347 1.00 21.07 N ATOM 691 CA PRO A 292 3.297 32.596 5.840 1.00 20.79 C ATOM 692 C PRO A 292 2.517 31.476 6.506 1.00 21.83 C ATOM 693 O PRO A 292 2.221 31.566 7.705 1.00 22.46 O ATOM 694 CB PRO A 292 4.777 32.512 6.242 1.00 15.33 C ATOM 695 CG PRO A 292 5.018 33.633 7.181 1.00 22.06 C ATOM 696 CD PRO A 292 4.009 34.684 6.861 1.00 22.85 C ATOM 697 N PRO A 293 2.191 30.428 5.738 1.00 19.22 N ATOM 698 CA PRO A 293 1.544 29.258 6.326 1.00 21.63 C ATOM 699 C PRO A 293 2.461 28.572 7.327 1.00 21.17 C ATOM 700 O PRO A 293 3.686 28.537 7.177 1.00 16.94 O ATOM 701 CB PRO A 293 1.288 28.350 5.124 1.00 20.86 C ATOM 702 CG PRO A 293 2.293 28.773 4.103 1.00 17.12 C ATOM 703 CD PRO A 293 2.493 30.245 4.305 1.00 14.57 C ATOM 704 N VAL A 294 1.852 28.055 8.382 1.00 21.54 N ATOM 705 CA VAL A 294 2.579 27.274 9.352 1.00 19.74 C ATOM 706 C VAL A 294 2.527 25.823 8.895 1.00 34.08 C ATOM 707 O VAL A 294 1.450 25.280 8.617 1.00 27.54 O ATOM 708 CB VAL A 294 1.950 27.402 10.746 1.00 23.29 C ATOM 709 CG1 VAL A 294 2.581 26.409 11.697 1.00 25.45 C ATOM 710 CG2 VAL A 294 2.102 28.833 11.268 1.00 27.66 C ATOM 711 H VAL A 294 0.833 28.215 8.514 1.00 0.00 H ATOM 712 N ILE A 295 3.697 25.206 8.806 1.00 19.88 N ATOM 713 CA ILE A 295 3.815 23.823 8.367 1.00 26.61 C ATOM 714 C ILE A 295 4.422 22.958 9.468 1.00 27.19 C ATOM 715 O ILE A 295 5.564 23.158 9.875 1.00 25.29 O ATOM 716 CB ILE A 295 4.664 23.734 7.083 1.00 23.57 C ATOM 717 CG1 ILE A 295 4.030 24.604 5.992 1.00 22.45 C ATOM 718 CG2 ILE A 295 4.816 22.285 6.635 1.00 25.87 C ATOM 719 CD1 ILE A 295 4.877 24.758 4.741 1.00 25.11 C ATOM 720 H ILE A 295 4.560 25.728 9.059 1.00 0.00 H ATOM 721 N HIS A 296 3.643 22.001 9.959 1.00 24.34 N ATOM 722 CA HIS A 296 4.107 21.122 11.024 1.00 34.90 C ATOM 723 C HIS A 296 4.943 19.973 10.489 1.00 32.56 C ATOM 724 O HIS A 296 4.520 19.259 9.581 1.00 37.11 O ATOM 725 CB HIS A 296 2.929 20.598 11.840 1.00 43.93 C ATOM 726 CG HIS A 296 2.332 21.627 12.742 1.00 48.20 C ATOM 727 ND1 HIS A 296 1.362 22.510 12.323 1.00 49.89 N ATOM 728 CD2 HIS A 296 2.592 21.938 14.033 1.00 50.13 C ATOM 729 CE1 HIS A 296 1.036 23.310 13.323 1.00 49.40 C ATOM 730 NE2 HIS A 296 1.775 22.989 14.370 1.00 51.50 N ATOM 731 H HIS A 296 2.684 21.877 9.576 1.00 0.00 H ATOM 732 N ILE A 297 6.143 19.821 11.045 1.00 28.54 N ATOM 733 CA ILE A 297 7.051 18.737 10.666 1.00 31.25 C ATOM 734 C ILE A 297 7.633 18.052 11.899 1.00 35.17 C ATOM 735 O ILE A 297 7.464 18.529 13.020 1.00 31.05 O ATOM 736 CB ILE A 297 8.214 19.254 9.805 1.00 30.86 C ATOM 737 CG1 ILE A 297 9.017 20.301 10.576 1.00 32.90 C ATOM 738 CG2 ILE A 297 7.693 19.853 8.508 1.00 29.59 C ATOM 739 CD1 ILE A 297 10.115 20.928 9.757 1.00 29.76 C ATOM 740 H ILE A 297 6.446 20.497 11.775 1.00 0.00 H ATOM 741 N ARG A 298 8.323 16.932 11.688 1.00 44.88 N ATOM 742 CA ARG A 298 8.930 16.191 12.789 1.00 52.92 C ATOM 743 C ARG A 298 10.240 16.821 13.250 1.00 53.16 C ATOM 744 O ARG A 298 10.357 17.256 14.397 1.00 54.82 O ATOM 745 CB ARG A 298 9.168 14.726 12.409 1.00 63.85 C ATOM 746 CG ARG A 298 7.928 13.987 11.941 1.00 73.29 C ATOM 747 CD ARG A 298 7.967 12.510 12.331 1.00 85.92 C ATOM 748 NE ARG A 298 9.242 11.868 12.015 1.00 93.21 N ATOM 749 CZ ARG A 298 9.591 11.446 10.803 1.00 94.94 C ATOM 750 NH1 ARG A 298 8.766 11.611 9.777 1.00 96.81 N ATOM 751 NH2 ARG A 298 10.770 10.869 10.612 1.00 91.77 N ATOM 752 HE ARG A 298 9.922 11.732 12.790 1.00 0.00 H ATOM 753 HH12 ARG A 298 9.041 11.280 8.830 1.00 0.00 H ATOM 754 HH11 ARG A 298 7.844 12.071 9.920 1.00 0.00 H ATOM 755 HH22 ARG A 298 11.040 10.540 9.663 1.00 0.00 H ATOM 756 HH21 ARG A 298 11.424 10.746 11.411 1.00 0.00 H ATOM 757 H ARG A 298 8.432 16.578 10.716 1.00 0.00 H ATOM 758 N SER A 299 11.223 16.859 12.354 1.00 48.78 N ATOM 759 CA SER A 299 12.541 17.395 12.676 1.00 46.90 C ATOM 760 C SER A 299 13.037 18.322 11.584 1.00 39.46 C ATOM 761 O SER A 299 12.425 18.422 10.524 1.00 36.52 O ATOM 762 CB SER A 299 13.545 16.263 12.858 1.00 51.49 C ATOM 763 OG SER A 299 13.151 15.417 13.923 1.00 66.09 O ATOM 764 HG SER A 299 13.813 14.689 14.027 1.00 0.00 H ATOM 765 H SER A 299 11.046 16.496 11.396 1.00 0.00 H ATOM 766 N ARG A 300 14.163 18.981 11.836 1.00 39.53 N ATOM 767 CA ARG A 300 14.751 19.881 10.850 1.00 38.46 C ATOM 768 C ARG A 300 15.155 19.100 9.598 1.00 35.58 C ATOM 769 O ARG A 300 15.275 19.665 8.509 1.00 31.32 O ATOM 770 CB ARG A 300 15.959 20.615 11.443 1.00 36.00 C ATOM 771 CG ARG A 300 16.352 21.877 10.691 1.00 36.96 C ATOM 772 CD ARG A 300 17.717 22.360 11.123 1.00 35.58 C ATOM 773 NE ARG A 300 18.289 23.301 10.168 1.00 37.96 N ATOM 774 CZ ARG A 300 18.736 24.509 10.492 1.00 42.82 C ATOM 775 NH1 ARG A 300 18.674 24.924 11.751 1.00 45.67 N ATOM 776 NH2 ARG A 300 19.246 25.301 9.559 1.00 39.21 N ATOM 777 HE ARG A 300 18.351 23.009 9.172 1.00 0.00 H ATOM 778 HH12 ARG A 300 19.024 25.870 12.005 1.00 0.00 H ATOM 779 HH11 ARG A 300 18.275 24.303 12.484 1.00 0.00 H ATOM 780 HH22 ARG A 300 19.596 26.247 9.814 1.00 0.00 H ATOM 781 HH21 ARG A 300 19.296 24.977 8.572 1.00 0.00 H ATOM 782 H ARG A 300 14.634 18.853 12.754 1.00 0.00 H ATOM 783 N GLY A 301 15.345 17.794 9.762 1.00 31.23 N ATOM 784 CA GLY A 301 15.674 16.915 8.651 1.00 37.14 C ATOM 785 C GLY A 301 14.618 16.811 7.558 1.00 41.28 C ATOM 786 O GLY A 301 14.954 16.570 6.401 1.00 44.38 O ATOM 787 H GLY A 301 15.255 17.388 10.715 1.00 0.00 H ATOM 788 N ASP A 302 13.346 16.993 7.913 1.00 37.92 N ATOM 789 CA ASP A 302 12.250 16.901 6.940 1.00 36.34 C ATOM 790 C ASP A 302 12.237 18.080 5.957 1.00 34.16 C ATOM 791 O ASP A 302 11.482 18.087 4.982 1.00 31.08 O ATOM 792 CB ASP A 302 10.894 16.810 7.655 1.00 41.28 C ATOM 793 CG ASP A 302 10.788 15.602 8.573 1.00 57.74 C ATOM 794 OD1 ASP A 302 10.638 14.469 8.063 1.00 63.14 O ATOM 795 OD2 ASP A 302 10.838 15.785 9.809 1.00 63.04 O ATOM 796 H ASP A 302 13.124 17.206 8.906 1.00 0.00 H ATOM 797 N ILE A 303 13.056 19.087 6.240 1.00 31.73 N ATOM 798 CA ILE A 303 13.209 20.245 5.364 1.00 22.70 C ATOM 799 C ILE A 303 14.283 19.917 4.334 1.00 24.02 C ATOM 800 O ILE A 303 15.349 19.423 4.695 1.00 28.83 O ATOM 801 CB ILE A 303 13.621 21.486 6.176 1.00 19.95 C ATOM 802 CG1 ILE A 303 12.533 21.801 7.205 1.00 28.26 C ATOM 803 CG2 ILE A 303 13.862 22.683 5.240 1.00 17.52 C ATOM 804 CD1 ILE A 303 12.937 22.784 8.271 1.00 24.83 C ATOM 805 H ILE A 303 13.610 19.049 7.120 1.00 0.00 H ATOM 806 N PRO A 304 13.995 20.157 3.045 1.00 23.62 N ATOM 807 CA PRO A 304 14.943 19.793 1.982 1.00 29.34 C ATOM 808 C PRO A 304 16.328 20.409 2.186 1.00 24.72 C ATOM 809 O PRO A 304 16.429 21.534 2.653 1.00 18.45 O ATOM 810 CB PRO A 304 14.297 20.386 0.727 1.00 29.53 C ATOM 811 CG PRO A 304 12.845 20.435 1.036 1.00 26.90 C ATOM 812 CD PRO A 304 12.758 20.748 2.503 1.00 20.35 C ATOM 813 N ARG A 305 17.373 19.671 1.823 1.00 19.88 N ATOM 814 CA ARG A 305 18.757 20.124 1.951 1.00 26.27 C ATOM 815 C ARG A 305 19.024 21.531 1.396 1.00 29.22 C ATOM 816 O ARG A 305 19.695 22.337 2.043 1.00 24.84 O ATOM 817 CB ARG A 305 19.697 19.104 1.294 1.00 31.81 C ATOM 818 CG ARG A 305 21.168 19.480 1.290 1.00 37.39 C ATOM 819 CD ARG A 305 22.008 18.342 0.689 1.00 53.61 C ATOM 820 NE ARG A 305 23.390 18.741 0.433 1.00 64.51 N ATOM 821 CZ ARG A 305 24.283 17.991 -0.211 1.00 73.59 C ATOM 822 NH1 ARG A 305 23.945 16.794 -0.674 1.00 72.70 N ATOM 823 NH2 ARG A 305 25.518 18.441 -0.395 1.00 77.38 N ATOM 824 HE ARG A 305 23.697 19.673 0.777 1.00 0.00 H ATOM 825 HH12 ARG A 305 24.647 16.213 -1.176 1.00 0.00 H ATOM 826 HH11 ARG A 305 22.978 16.437 -0.535 1.00 0.00 H ATOM 827 HH22 ARG A 305 26.215 17.856 -0.898 1.00 0.00 H ATOM 828 HH21 ARG A 305 25.788 19.379 -0.036 1.00 0.00 H ATOM 829 H ARG A 305 17.197 18.725 1.429 1.00 0.00 H ATOM 830 N ALA A 306 18.486 21.828 0.212 1.00 21.70 N ATOM 831 CA ALA A 306 18.718 23.108 -0.447 1.00 20.95 C ATOM 832 C ALA A 306 18.017 24.285 0.246 1.00 14.69 C ATOM 833 O ALA A 306 18.261 25.452 -0.089 1.00 26.39 O ATOM 834 CB ALA A 306 18.299 23.030 -1.904 1.00 20.17 C ATOM 835 H ALA A 306 17.881 21.123 -0.257 1.00 0.00 H ATOM 836 N CYS A 307 17.153 23.982 1.212 1.00 12.61 N ATOM 837 CA CYS A 307 16.461 25.018 1.981 1.00 20.84 C ATOM 838 C CYS A 307 17.137 25.336 3.300 1.00 19.54 C ATOM 839 O CYS A 307 16.815 26.340 3.917 1.00 14.47 O ATOM 840 CB CYS A 307 15.026 24.604 2.295 1.00 10.89 C ATOM 841 SG CYS A 307 13.865 24.833 0.943 1.00 16.06 S ATOM 842 H CYS A 307 16.964 22.982 1.426 1.00 0.00 H ATOM 843 N GLN A 308 18.044 24.466 3.739 1.00 13.41 N ATOM 844 CA GLN A 308 18.566 24.516 5.106 1.00 15.14 C ATOM 845 C GLN A 308 19.230 25.861 5.421 1.00 19.54 C ATOM 846 O GLN A 308 19.012 26.443 6.481 1.00 16.12 O ATOM 847 CB GLN A 308 19.532 23.355 5.357 1.00 18.46 C ATOM 848 CG GLN A 308 18.868 21.973 5.405 1.00 19.13 C ATOM 849 CD GLN A 308 18.045 21.771 6.661 1.00 23.59 C ATOM 850 OE1 GLN A 308 18.329 22.365 7.706 1.00 26.51 O ATOM 851 NE2 GLN A 308 17.011 20.946 6.565 1.00 20.48 N ATOM 852 HE22 GLN A 308 16.810 20.467 5.664 1.00 0.00 H ATOM 853 HE21 GLN A 308 16.401 20.778 7.391 1.00 0.00 H ATOM 854 H GLN A 308 18.392 23.730 3.092 1.00 0.00 H ATOM 855 N LYS A 309 20.015 26.378 4.489 1.00 13.27 N ATOM 856 CA LYS A 309 20.697 27.648 4.753 1.00 13.54 C ATOM 857 C LYS A 309 19.777 28.869 4.639 1.00 18.76 C ATOM 858 O LYS A 309 20.191 29.989 4.921 1.00 16.32 O ATOM 859 CB LYS A 309 21.928 27.806 3.854 1.00 14.84 C ATOM 860 CG LYS A 309 23.044 26.822 4.184 1.00 17.04 C ATOM 861 CD LYS A 309 24.296 27.132 3.396 1.00 23.54 C ATOM 862 CE LYS A 309 25.357 26.056 3.622 1.00 32.84 C ATOM 863 NZ LYS A 309 24.897 24.737 3.118 1.00 37.34 N ATOM 864 HZ1 LYS A 309 24.029 24.459 3.619 1.00 0.00 H ATOM 865 HZ2 LYS A 309 24.704 24.805 2.098 1.00 0.00 H ATOM 866 HZ3 LYS A 309 25.637 24.026 3.285 1.00 0.00 H ATOM 867 H LYS A 309 20.146 25.889 3.581 1.00 0.00 H ATOM 868 N SER A 310 18.536 28.652 4.223 1.00 14.26 N ATOM 869 CA SER A 310 17.575 29.750 4.098 1.00 13.39 C ATOM 870 C SER A 310 16.664 29.848 5.328 1.00 13.69 C ATOM 871 O SER A 310 15.791 30.720 5.394 1.00 13.97 O ATOM 872 CB SER A 310 16.723 29.558 2.848 1.00 14.40 C ATOM 873 OG SER A 310 17.487 29.746 1.672 1.00 18.53 O ATOM 874 HG SER A 310 17.857 30.664 1.664 1.00 0.00 H ATOM 875 H SER A 310 18.240 27.685 3.981 1.00 0.00 H ATOM 876 N LEU A 311 16.857 28.948 6.285 1.00 13.90 N ATOM 877 CA LEU A 311 16.041 28.917 7.506 1.00 14.36 C ATOM 878 C LEU A 311 16.561 29.927 8.517 1.00 17.97 C ATOM 879 O LEU A 311 17.774 30.044 8.705 1.00 20.85 O ATOM 880 CB LEU A 311 16.045 27.512 8.123 1.00 11.90 C ATOM 881 CG LEU A 311 15.475 26.398 7.251 1.00 16.59 C ATOM 882 CD1 LEU A 311 15.776 25.085 7.917 1.00 17.36 C ATOM 883 CD2 LEU A 311 13.973 26.591 7.049 1.00 14.62 C ATOM 884 H LEU A 311 17.611 28.242 6.166 1.00 0.00 H ATOM 885 N ARG A 312 15.649 30.663 9.157 1.00 11.94 N ATOM 886 CA ARG A 312 16.015 31.734 10.085 1.00 11.76 C ATOM 887 C ARG A 312 15.095 31.716 11.296 1.00 13.45 C ATOM 888 O ARG A 312 14.004 31.159 11.227 1.00 15.43 O ATOM 889 CB ARG A 312 15.813 33.102 9.410 1.00 11.65 C ATOM 890 CG ARG A 312 16.506 33.263 8.077 1.00 15.20 C ATOM 891 CD ARG A 312 17.999 33.436 8.268 1.00 16.12 C ATOM 892 NE ARG A 312 18.732 32.915 7.113 1.00 23.94 N ATOM 893 CZ ARG A 312 18.822 33.526 5.937 1.00 17.47 C ATOM 894 NH1 ARG A 312 18.232 34.702 5.737 1.00 27.23 N ATOM 895 NH2 ARG A 312 19.508 32.953 4.950 1.00 17.67 N ATOM 896 HE ARG A 312 19.217 32.001 7.221 1.00 0.00 H ATOM 897 HH12 ARG A 312 18.309 35.172 4.812 1.00 0.00 H ATOM 898 HH11 ARG A 312 17.694 35.151 6.505 1.00 0.00 H ATOM 899 HH22 ARG A 312 19.583 33.425 4.026 1.00 0.00 H ATOM 900 HH21 ARG A 312 19.969 32.033 5.103 1.00 0.00 H ATOM 901 H ARG A 312 14.641 30.468 8.990 1.00 0.00 H ATOM 902 N PRO A 313 15.516 32.356 12.396 1.00 13.03 N ATOM 903 CA PRO A 313 14.542 32.574 13.475 1.00 17.28 C ATOM 904 C PRO A 313 13.315 33.329 12.946 1.00 22.82 C ATOM 905 O PRO A 313 13.464 34.171 12.052 1.00 16.86 O ATOM 906 CB PRO A 313 15.313 33.448 14.471 1.00 17.02 C ATOM 907 CG PRO A 313 16.756 33.172 14.207 1.00 16.23 C ATOM 908 CD PRO A 313 16.846 32.904 12.722 1.00 16.77 C ATOM 909 N VAL A 314 12.124 33.026 13.464 1.00 18.98 N ATOM 910 CA VAL A 314 10.902 33.689 12.988 1.00 20.78 C ATOM 911 C VAL A 314 10.778 35.102 13.566 1.00 21.53 C ATOM 912 O VAL A 314 10.794 35.280 14.791 1.00 19.13 O ATOM 913 CB VAL A 314 9.627 32.891 13.346 1.00 19.33 C ATOM 914 CG1 VAL A 314 8.368 33.497 12.658 1.00 15.04 C ATOM 915 CG2 VAL A 314 9.787 31.439 12.967 1.00 22.60 C ATOM 916 H VAL A 314 12.059 32.310 14.216 1.00 0.00 H ATOM 917 N PRO A 315 10.654 36.109 12.684 1.00 20.15 N ATOM 918 CA PRO A 315 10.460 37.533 13.001 1.00 25.28 C ATOM 919 C PRO A 315 9.073 37.769 13.628 1.00 26.17 C ATOM 920 O PRO A 315 8.229 36.883 13.550 1.00 23.54 O ATOM 921 CB PRO A 315 10.558 38.193 11.621 1.00 28.90 C ATOM 922 CG PRO A 315 10.062 37.172 10.705 1.00 28.15 C ATOM 923 CD PRO A 315 10.596 35.875 11.230 1.00 20.56 C ATOM 924 N PRO A 316 8.852 38.941 14.254 1.00 33.79 N ATOM 925 CA PRO A 316 7.579 39.217 14.935 1.00 34.48 C ATOM 926 C PRO A 316 6.333 39.068 14.054 1.00 35.56 C ATOM 927 O PRO A 316 5.390 38.385 14.454 1.00 38.55 O ATOM 928 CB PRO A 316 7.741 40.669 15.399 1.00 35.61 C ATOM 929 CG PRO A 316 9.206 40.823 15.597 1.00 37.35 C ATOM 930 CD PRO A 316 9.839 40.010 14.492 1.00 35.61 C ATOM 931 N SER A 317 6.315 39.701 12.887 1.00 29.16 N ATOM 932 CA SER A 317 5.154 39.596 11.999 1.00 29.73 C ATOM 933 C SER A 317 5.585 39.318 10.560 1.00 26.90 C ATOM 934 O SER A 317 5.619 40.216 9.725 1.00 25.01 O ATOM 935 CB SER A 317 4.272 40.846 12.080 1.00 41.55 C ATOM 936 OG SER A 317 4.896 41.956 11.465 1.00 47.35 O ATOM 937 HG SER A 317 5.066 41.751 10.511 1.00 0.00 H ATOM 938 H SER A 317 7.132 40.277 12.600 1.00 0.00 H ATOM 939 N PRO A 318 5.942 38.064 10.274 1.00 21.74 N ATOM 940 CA PRO A 318 6.411 37.732 8.926 1.00 16.58 C ATOM 941 C PRO A 318 5.300 37.861 7.887 1.00 18.20 C ATOM 942 O PRO A 318 4.138 37.618 8.181 1.00 19.18 O ATOM 943 CB PRO A 318 6.854 36.269 9.060 1.00 21.45 C ATOM 944 CG PRO A 318 6.027 35.735 10.182 1.00 20.59 C ATOM 945 CD PRO A 318 5.873 36.878 11.147 1.00 23.09 C ATOM 946 N LYS A 319 5.678 38.246 6.676 1.00 16.01 N ATOM 947 CA LYS A 319 4.747 38.347 5.570 1.00 16.62 C ATOM 948 C LYS A 319 5.321 37.669 4.329 1.00 15.42 C ATOM 949 O LYS A 319 6.516 37.785 4.027 1.00 15.88 O ATOM 950 CB LYS A 319 4.446 39.815 5.269 1.00 23.10 C ATOM 951 CG LYS A 319 3.790 40.546 6.431 1.00 28.49 C ATOM 952 CD LYS A 319 2.399 39.993 6.718 1.00 31.91 C ATOM 953 CE LYS A 319 1.745 40.713 7.893 1.00 39.17 C ATOM 954 NZ LYS A 319 1.439 42.128 7.567 1.00 47.94 N ATOM 955 HZ1 LYS A 319 2.320 42.625 7.326 1.00 0.00 H ATOM 956 HZ2 LYS A 319 0.788 42.163 6.757 1.00 0.00 H ATOM 957 HZ3 LYS A 319 0.996 42.584 8.390 1.00 0.00 H ATOM 958 H LYS A 319 6.677 38.484 6.514 1.00 0.00 H ATOM 959 N ILE A 320 4.461 36.965 3.608 1.00 16.51 N ATOM 960 CA ILE A 320 4.870 36.294 2.375 1.00 16.66 C ATOM 961 C ILE A 320 5.440 37.290 1.369 1.00 15.40 C ATOM 962 O ILE A 320 6.489 37.031 0.766 1.00 18.25 O ATOM 963 CB ILE A 320 3.700 35.493 1.753 1.00 17.23 C ATOM 964 CG1 ILE A 320 3.251 34.402 2.724 1.00 18.08 C ATOM 965 CG2 ILE A 320 4.109 34.873 0.417 1.00 14.23 C ATOM 966 CD1 ILE A 320 2.085 33.557 2.216 1.00 22.73 C ATOM 967 H ILE A 320 3.474 36.888 3.926 1.00 0.00 H ATOM 968 N ASP A 321 4.779 38.435 1.203 1.00 20.81 N ATOM 969 CA ASP A 321 5.262 39.455 0.264 1.00 26.59 C ATOM 970 C ASP A 321 6.519 40.202 0.736 1.00 24.78 C ATOM 971 O ASP A 321 7.014 41.085 0.037 1.00 23.44 O ATOM 972 CB ASP A 321 4.156 40.436 -0.168 1.00 25.47 C ATOM 973 CG ASP A 321 3.564 41.222 0.995 1.00 31.03 C ATOM 974 OD1 ASP A 321 4.190 41.293 2.075 1.00 33.00 O ATOM 975 OD2 ASP A 321 2.455 41.779 0.823 1.00 37.83 O ATOM 976 H ASP A 321 3.909 38.608 1.746 1.00 0.00 H ATOM 977 N ARG A 322 7.034 39.831 1.906 1.00 20.75 N ATOM 978 CA ARG A 322 8.336 40.322 2.359 1.00 21.98 C ATOM 979 C ARG A 322 9.396 39.218 2.323 1.00 25.45 C ATOM 980 O ARG A 322 10.507 39.401 2.815 1.00 22.06 O ATOM 981 CB ARG A 322 8.239 40.934 3.756 1.00 24.49 C ATOM 982 CG ARG A 322 7.348 42.167 3.797 1.00 26.85 C ATOM 983 CD ARG A 322 7.986 43.351 3.067 1.00 44.02 C ATOM 984 NE ARG A 322 8.495 44.366 3.991 1.00 52.46 N ATOM 985 CZ ARG A 322 9.759 44.455 4.397 1.00 53.43 C ATOM 986 NH1 ARG A 322 10.667 43.593 3.962 1.00 54.64 N ATOM 987 NH2 ARG A 322 10.117 45.413 5.239 1.00 59.52 N ATOM 988 HE ARG A 322 7.820 45.068 4.356 1.00 0.00 H ATOM 989 HH12 ARG A 322 11.653 43.669 4.284 1.00 0.00 H ATOM 990 HH11 ARG A 322 10.394 42.840 3.299 1.00 0.00 H ATOM 991 HH22 ARG A 322 11.105 45.483 5.557 1.00 0.00 H ATOM 992 HH21 ARG A 322 9.410 46.095 5.582 1.00 0.00 H ATOM 993 H ARG A 322 6.499 39.177 2.512 1.00 0.00 H ATOM 994 N GLY A 323 9.046 38.079 1.731 1.00 18.26 N ATOM 995 CA GLY A 323 10.013 37.026 1.480 1.00 17.66 C ATOM 996 C GLY A 323 9.973 35.873 2.456 1.00 15.45 C ATOM 997 O GLY A 323 10.787 34.960 2.367 1.00 15.88 O ATOM 998 H GLY A 323 8.057 37.940 1.441 1.00 0.00 H ATOM 999 N TRP A 324 9.033 35.904 3.396 1.00 13.00 N ATOM 1000 CA TRP A 324 8.874 34.774 4.306 1.00 11.25 C ATOM 1001 C TRP A 324 7.918 33.741 3.712 1.00 16.69 C ATOM 1002 O TRP A 324 6.700 33.932 3.701 1.00 15.90 O ATOM 1003 CB TRP A 324 8.402 35.251 5.668 1.00 11.66 C ATOM 1004 CG TRP A 324 9.421 36.097 6.314 1.00 14.06 C ATOM 1005 CD1 TRP A 324 9.490 37.457 6.306 1.00 13.51 C ATOM 1006 CD2 TRP A 324 10.555 35.635 7.044 1.00 15.08 C ATOM 1007 NE1 TRP A 324 10.603 37.875 7.002 1.00 18.17 N ATOM 1008 CE2 TRP A 324 11.273 36.770 7.467 1.00 19.79 C ATOM 1009 CE3 TRP A 324 11.034 34.365 7.388 1.00 14.23 C ATOM 1010 CZ2 TRP A 324 12.446 36.679 8.220 1.00 23.04 C ATOM 1011 CZ3 TRP A 324 12.199 34.274 8.149 1.00 15.41 C ATOM 1012 CH2 TRP A 324 12.892 35.427 8.546 1.00 14.03 C ATOM 1013 HE1 TRP A 324 10.889 38.864 7.151 1.00 0.00 H ATOM 1014 H TRP A 324 8.411 36.733 3.483 1.00 0.00 H ATOM 1015 N VAL A 325 8.489 32.646 3.226 1.00 11.28 N ATOM 1016 CA VAL A 325 7.755 31.663 2.439 1.00 11.88 C ATOM 1017 C VAL A 325 6.813 30.850 3.304 1.00 15.64 C ATOM 1018 O VAL A 325 5.635 30.666 2.973 1.00 15.33 O ATOM 1019 CB VAL A 325 8.738 30.726 1.702 1.00 12.07 C ATOM 1020 CG1 VAL A 325 7.991 29.597 1.015 1.00 13.01 C ATOM 1021 CG2 VAL A 325 9.550 31.526 0.698 1.00 11.35 C ATOM 1022 H VAL A 325 9.499 32.483 3.414 1.00 0.00 H ATOM 1023 N CYS A 326 7.337 30.372 4.425 1.00 10.04 N ATOM 1024 CA CYS A 326 6.543 29.587 5.359 1.00 9.91 C ATOM 1025 C CYS A 326 7.254 29.549 6.701 1.00 14.93 C ATOM 1026 O CYS A 326 8.416 29.950 6.821 1.00 13.61 O ATOM 1027 CB CYS A 326 6.345 28.158 4.827 1.00 12.97 C ATOM 1028 SG CYS A 326 7.892 27.292 4.547 1.00 17.09 S ATOM 1029 H CYS A 326 8.336 30.562 4.641 1.00 0.00 H ATOM 1030 N VAL A 327 6.533 29.085 7.713 1.00 17.73 N ATOM 1031 CA VAL A 327 7.079 28.868 9.040 1.00 18.82 C ATOM 1032 C VAL A 327 6.977 27.380 9.314 1.00 20.17 C ATOM 1033 O VAL A 327 5.881 26.798 9.290 1.00 24.20 O ATOM 1034 CB VAL A 327 6.312 29.704 10.110 1.00 16.25 C ATOM 1035 CG1 VAL A 327 6.722 29.318 11.525 1.00 16.99 C ATOM 1036 CG2 VAL A 327 6.544 31.174 9.875 1.00 15.17 C ATOM 1037 H VAL A 327 5.530 28.867 7.548 1.00 0.00 H ATOM 1038 N PHE A 328 8.123 26.743 9.522 1.00 17.28 N ATOM 1039 CA PHE A 328 8.130 25.333 9.895 1.00 18.01 C ATOM 1040 C PHE A 328 8.003 25.211 11.413 1.00 24.93 C ATOM 1041 O PHE A 328 8.733 25.864 12.162 1.00 18.26 O ATOM 1042 CB PHE A 328 9.409 24.646 9.410 1.00 15.61 C ATOM 1043 CG PHE A 328 9.475 24.456 7.914 1.00 21.81 C ATOM 1044 CD1 PHE A 328 10.418 25.130 7.151 1.00 14.19 C ATOM 1045 CD2 PHE A 328 8.596 23.602 7.275 1.00 17.43 C ATOM 1046 CE1 PHE A 328 10.485 24.954 5.789 1.00 14.14 C ATOM 1047 CE2 PHE A 328 8.650 23.421 5.897 1.00 18.58 C ATOM 1048 CZ PHE A 328 9.601 24.100 5.151 1.00 20.68 C ATOM 1049 H PHE A 328 9.023 27.254 9.418 1.00 0.00 H ATOM 1050 N GLN A 329 7.072 24.374 11.863 1.00 21.02 N ATOM 1051 CA GLN A 329 6.875 24.150 13.289 1.00 24.72 C ATOM 1052 C GLN A 329 7.314 22.738 13.637 1.00 23.00 C ATOM 1053 O GLN A 329 6.683 21.765 13.212 1.00 27.12 O ATOM 1054 CB GLN A 329 5.401 24.317 13.650 1.00 32.28 C ATOM 1055 CG GLN A 329 5.072 23.919 15.079 1.00 41.99 C ATOM 1056 CD GLN A 329 5.170 25.080 16.031 1.00 49.30 C ATOM 1057 OE1 GLN A 329 4.803 26.207 15.692 1.00 54.13 O ATOM 1058 NE2 GLN A 329 5.670 24.819 17.232 1.00 55.56 N ATOM 1059 HE22 GLN A 329 5.966 23.852 17.473 1.00 0.00 H ATOM 1060 HE21 GLN A 329 5.765 25.582 17.933 1.00 0.00 H ATOM 1061 H GLN A 329 6.471 23.868 11.181 1.00 0.00 H ATOM 1062 N LEU A 330 8.382 22.621 14.416 1.00 21.85 N ATOM 1063 CA LEU A 330 8.901 21.309 14.801 1.00 24.33 C ATOM 1064 C LEU A 330 8.192 20.741 16.031 1.00 31.78 C ATOM 1065 O LEU A 330 7.525 21.471 16.772 1.00 31.17 O ATOM 1066 CB LEU A 330 10.410 21.367 15.069 1.00 41.58 C ATOM 1067 CG LEU A 330 11.389 21.450 13.895 1.00 38.28 C ATOM 1068 CD1 LEU A 330 11.197 22.731 13.099 1.00 30.31 C ATOM 1069 CD2 LEU A 330 12.813 21.348 14.410 1.00 33.15 C ATOM 1070 H LEU A 330 8.859 23.479 14.759 1.00 0.00 H ATOM 1071 N GLN A 331 8.367 19.437 16.236 1.00 41.55 N ATOM 1072 CA GLN A 331 7.683 18.682 17.285 1.00 48.79 C ATOM 1073 C GLN A 331 7.941 19.200 18.690 1.00 46.39 C ATOM 1074 O GLN A 331 7.052 19.168 19.543 1.00 47.46 O ATOM 1075 CB GLN A 331 8.120 17.222 17.242 1.00 62.71 C ATOM 1076 CG GLN A 331 7.605 16.434 16.065 1.00 71.89 C ATOM 1077 CD GLN A 331 8.214 15.051 16.014 1.00 82.30 C ATOM 1078 OE1 GLN A 331 7.808 14.210 15.215 1.00 87.12 O ATOM 1079 NE2 GLN A 331 9.197 14.805 16.876 1.00 84.35 N ATOM 1080 HE22 GLN A 331 9.509 15.547 17.535 1.00 0.00 H ATOM 1081 HE21 GLN A 331 9.654 13.871 16.891 1.00 0.00 H ATOM 1082 H GLN A 331 9.027 18.927 15.615 1.00 0.00 H ATOM 1083 N ASP A 332 9.169 19.644 18.933 1.00 39.84 N ATOM 1084 CA ASP A 332 9.587 20.061 20.265 1.00 40.84 C ATOM 1085 C ASP A 332 9.227 21.512 20.561 1.00 40.27 C ATOM 1086 O ASP A 332 9.564 22.040 21.618 1.00 40.49 O ATOM 1087 CB ASP A 332 11.091 19.869 20.416 1.00 47.46 C ATOM 1088 CG ASP A 332 11.862 20.400 19.225 1.00 52.95 C ATOM 1089 OD1 ASP A 332 11.355 21.314 18.535 1.00 41.60 O ATOM 1090 OD2 ASP A 332 12.976 19.897 18.972 1.00 67.92 O ATOM 1091 H ASP A 332 9.852 19.695 18.150 1.00 0.00 H ATOM 1092 N GLY A 333 8.564 22.165 19.615 1.00 37.55 N ATOM 1093 CA GLY A 333 8.182 23.550 19.801 1.00 34.86 C ATOM 1094 C GLY A 333 9.070 24.541 19.073 1.00 29.32 C ATOM 1095 O GLY A 333 8.736 25.720 18.991 1.00 25.84 O ATOM 1096 H GLY A 333 8.316 21.677 18.731 1.00 0.00 H ATOM 1097 N LYS A 334 10.204 24.075 18.560 1.00 23.26 N ATOM 1098 CA LYS A 334 11.073 24.923 17.740 1.00 21.48 C ATOM 1099 C LYS A 334 10.329 25.398 16.494 1.00 19.61 C ATOM 1100 O LYS A 334 9.431 24.713 16.002 1.00 20.33 O ATOM 1101 CB LYS A 334 12.337 24.169 17.318 1.00 22.62 C ATOM 1102 CG LYS A 334 13.271 23.802 18.460 1.00 30.91 C ATOM 1103 CD LYS A 334 14.475 23.035 17.936 1.00 34.55 C ATOM 1104 CE LYS A 334 15.153 22.223 19.037 1.00 49.79 C ATOM 1105 NZ LYS A 334 15.559 23.045 20.207 1.00 51.90 N ATOM 1106 HZ1 LYS A 334 16.230 23.778 19.898 1.00 0.00 H ATOM 1107 HZ2 LYS A 334 14.718 23.495 20.621 1.00 0.00 H ATOM 1108 HZ3 LYS A 334 16.012 22.435 20.917 1.00 0.00 H ATOM 1109 H LYS A 334 10.480 23.089 18.744 1.00 0.00 H ATOM 1110 N THR A 335 10.681 26.580 15.997 1.00 17.99 N ATOM 1111 CA THR A 335 10.059 27.104 14.785 1.00 16.48 C ATOM 1112 C THR A 335 11.109 27.826 13.963 1.00 17.25 C ATOM 1113 O THR A 335 11.976 28.517 14.508 1.00 19.61 O ATOM 1114 CB THR A 335 8.912 28.102 15.071 1.00 22.45 C ATOM 1115 OG1 THR A 335 9.430 29.238 15.764 1.00 24.94 O ATOM 1116 CG2 THR A 335 7.801 27.469 15.901 1.00 24.22 C ATOM 1117 HG1 THR A 335 8.695 29.875 15.946 1.00 0.00 H ATOM 1118 H THR A 335 11.412 27.141 16.480 1.00 0.00 H ATOM 1119 N LEU A 336 11.020 27.683 12.649 1.00 15.75 N ATOM 1120 CA LEU A 336 11.984 28.309 11.757 1.00 14.13 C ATOM 1121 C LEU A 336 11.241 28.907 10.573 1.00 13.80 C ATOM 1122 O LEU A 336 10.285 28.313 10.074 1.00 17.74 O ATOM 1123 CB LEU A 336 13.007 27.282 11.270 1.00 14.98 C ATOM 1124 CG LEU A 336 14.032 26.858 12.327 1.00 22.03 C ATOM 1125 CD1 LEU A 336 14.801 25.627 11.872 1.00 24.36 C ATOM 1126 CD2 LEU A 336 14.975 28.000 12.603 1.00 17.83 C ATOM 1127 H LEU A 336 10.248 27.113 12.248 1.00 0.00 H ATOM 1128 N GLY A 337 11.657 30.094 10.152 1.00 12.50 N ATOM 1129 CA GLY A 337 11.057 30.738 8.999 1.00 11.84 C ATOM 1130 C GLY A 337 11.939 30.492 7.787 1.00 14.18 C ATOM 1131 O GLY A 337 13.166 30.510 7.892 1.00 15.64 O ATOM 1132 H GLY A 337 12.429 30.573 10.659 1.00 0.00 H ATOM 1133 N LEU A 338 11.325 30.249 6.635 1.00 12.88 N ATOM 1134 CA LEU A 338 12.095 30.042 5.409 1.00 12.38 C ATOM 1135 C LEU A 338 12.092 31.354 4.658 1.00 15.23 C ATOM 1136 O LEU A 338 11.026 31.866 4.321 1.00 12.73 O ATOM 1137 CB LEU A 338 11.463 28.940 4.548 1.00 12.15 C ATOM 1138 CG LEU A 338 12.185 28.635 3.240 1.00 12.58 C ATOM 1139 CD1 LEU A 338 13.533 27.981 3.515 1.00 18.70 C ATOM 1140 CD2 LEU A 338 11.351 27.732 2.358 1.00 17.24 C ATOM 1141 H LEU A 338 10.286 30.205 6.604 1.00 0.00 H ATOM 1142 N LYS A 339 13.281 31.895 4.405 1.00 12.48 N ATOM 1143 CA LYS A 339 13.416 33.254 3.896 1.00 15.06 C ATOM 1144 C LYS A 339 14.002 33.279 2.503 1.00 14.67 C ATOM 1145 O LYS A 339 14.999 32.607 2.220 1.00 15.92 O ATOM 1146 CB LYS A 339 14.316 34.078 4.824 1.00 17.85 C ATOM 1147 CG LYS A 339 14.497 35.536 4.428 1.00 24.44 C ATOM 1148 CD LYS A 339 13.171 36.277 4.475 1.00 25.09 C ATOM 1149 CE LYS A 339 13.358 37.793 4.536 1.00 29.02 C ATOM 1150 NZ LYS A 339 14.032 38.329 3.332 1.00 28.15 N ATOM 1151 HZ1 LYS A 339 14.972 37.893 3.239 1.00 0.00 H ATOM 1152 HZ2 LYS A 339 13.462 38.109 2.490 1.00 0.00 H ATOM 1153 HZ3 LYS A 339 14.134 39.360 3.424 1.00 0.00 H ATOM 1154 H LYS A 339 14.139 31.332 4.575 1.00 0.00 H ATOM 1155 N ILE A 340 13.366 34.060 1.632 1.00 16.01 N ATOM 1156 CA ILE A 340 13.953 34.445 0.350 1.00 21.47 C ATOM 1157 C ILE A 340 14.241 35.949 0.355 1.00 31.97 C ATOM 1158 O ILE A 340 13.411 36.744 0.807 1.00 31.96 O ATOM 1159 CB ILE A 340 12.999 34.142 -0.811 1.00 24.34 C ATOM 1160 CG1 ILE A 340 12.865 32.633 -0.996 1.00 24.38 C ATOM 1161 CG2 ILE A 340 13.514 34.774 -2.105 1.00 26.87 C ATOM 1162 CD1 ILE A 340 11.894 32.236 -2.109 1.00 23.04 C ATOM 1163 OXT ILE A 340 15.290 36.425 -0.085 1.00 29.15 O ATOM 1164 H ILE A 340 12.416 34.409 1.873 1.00 0.00 H TER 1165 ILE A 340 HETATM 1166 O HOH 1 14.535 38.793 -13.791 1.00 13.03 O HETATM 1167 O HOH 2 17.060 32.451 -13.516 1.00 18.87 O HETATM 1168 O HOH 3 -11.417 27.743 1.313 1.00 21.14 O HETATM 1169 O HOH 4 -8.719 33.909 -13.438 1.00 15.96 O HETATM 1170 O HOH 5 17.252 32.274 0.899 1.00 14.34 O HETATM 1171 O HOH 6 8.040 19.478 -13.574 1.00 30.65 O HETATM 1172 O HOH 7 11.355 34.880 -19.001 1.00 13.34 O HETATM 1173 O HOH 8 -1.089 28.804 8.640 1.00 26.59 O HETATM 1174 O HOH 9 -8.755 33.921 1.044 1.00 27.47 O HETATM 1175 O HOH 10 17.077 36.692 7.597 1.00 32.32 O HETATM 1176 O HOH 11 15.516 27.272 -7.683 1.00 19.75 O HETATM 1177 O HOH 12 7.786 40.420 7.035 1.00 25.89 O HETATM 1178 O HOH 13 -8.332 27.645 -8.473 1.00 16.55 O HETATM 1179 O HOH 14 -6.270 21.692 -7.676 1.00 24.84 O HETATM 1180 O HOH 15 12.159 31.051 15.671 1.00 14.83 O HETATM 1181 O HOH 16 16.718 29.668 -7.996 1.00 21.07 O HETATM 1182 O HOH 17 2.485 39.081 -14.226 1.00 25.06 O HETATM 1183 O HOH 18 4.205 37.094 -11.646 1.00 22.77 O HETATM 1184 O HOH 19 -8.815 30.425 -10.461 1.00 17.56 O HETATM 1185 O HOH 20 -8.441 33.011 -10.824 1.00 17.82 O HETATM 1186 O HOH 21 -1.375 31.919 5.145 1.00 37.01 O HETATM 1187 O HOH 22 -8.277 26.054 -11.190 1.00 38.99 O HETATM 1188 O HOH 23 15.431 36.653 -17.639 1.00 24.68 O HETATM 1189 O HOH 24 19.494 22.881 -12.281 1.00 30.74 O HETATM 1190 O HOH 25 7.356 36.166 -24.772 1.00 31.33 O HETATM 1191 O HOH 26 -8.469 22.867 -7.799 1.00 33.11 O HETATM 1192 O HOH 27 14.754 36.533 11.824 1.00 25.85 O HETATM 1193 O HOH 28 16.436 39.124 0.261 1.00 40.08 O HETATM 1194 O HOH 29 4.954 32.402 -20.795 1.00 27.82 O HETATM 1195 O HOH 30 9.356 28.015 20.274 1.00 23.51 O HETATM 1196 O HOH 31 2.554 38.035 10.214 1.00 29.49 O HETATM 1197 O HOH 32 5.184 27.155 -18.741 1.00 39.73 O HETATM 1198 O HOH 33 -8.842 23.371 -10.521 1.00 44.46 O HETATM 1199 O HOH 34 11.371 20.392 -4.681 1.00 24.89 O HETATM 1200 O HOH 35 20.986 24.995 2.118 1.00 24.14 O HETATM 1201 O HOH 36 6.392 35.571 14.882 1.00 33.45 O HETATM 1202 O HOH 37 -7.980 35.985 -6.583 1.00 26.88 O HETATM 1203 O HOH 38 17.254 27.993 -0.287 1.00 13.45 O HETATM 1204 O HOH 39 7.903 37.511 -1.584 1.00 27.47 O HETATM 1205 O HOH 40 -3.851 19.056 -7.716 1.00 30.15 O HETATM 1206 O HOH 41 22.668 29.832 6.878 1.00 39.49 O HETATM 1207 O HOH 42 -2.139 29.481 5.746 1.00 38.41 O HETATM 1208 O HOH 43 14.440 37.748 14.440 1.00 41.85 O HETATM 1209 O HOH 44 -13.814 24.597 -16.566 1.00 34.88 O HETATM 1210 O HOH 45 1.340 18.395 -14.815 1.00 43.79 O HETATM 1211 O HOH 46 9.158 42.605 -21.789 1.00 34.65 O HETATM 1212 O HOH 47 10.011 39.407 -1.540 1.00 29.10 O HETATM 1213 O HOH 48 -4.464 30.727 -16.575 1.00 34.12 O HETATM 1214 O HOH 49 17.385 19.858 -1.736 1.00 31.29 O HETATM 1215 O HOH 50 -0.925 35.266 -18.953 1.00 29.14 O HETATM 1216 O HOH 51 -8.899 25.619 -6.544 1.00 29.58 O HETATM 1217 O HOH 52 3.227 42.956 3.748 1.00 40.95 O HETATM 1218 O HOH 53 4.176 28.589 14.775 1.00 42.78 O HETATM 1219 O HOH 54 3.437 40.861 -16.095 1.00 34.57 O HETATM 1220 O HOH 55 2.324 38.962 2.447 1.00 27.09 O HETATM 1221 O HOH 56 15.661 28.596 -14.582 1.00 27.88 O HETATM 1222 O HOH 57 19.858 28.272 8.336 1.00 26.79 O HETATM 1223 O HOH 58 23.412 23.720 5.090 1.00 46.73 O HETATM 1224 O HOH 59 -2.697 32.613 7.538 1.00 36.50 O HETATM 1225 O HOH 60 -3.553 39.640 -10.049 1.00 30.77 O HETATM 1226 O HOH 61 -5.718 31.078 0.494 1.00 33.79 O HETATM 1227 O HOH 62 -9.180 28.013 -15.618 1.00 43.61 O HETATM 1228 O HOH 63 3.481 39.713 -20.622 1.00 31.30 O HETATM 1229 O HOH 64 -0.104 31.332 9.260 1.00 35.86 O HETATM 1230 O HOH 65 -3.454 33.236 4.040 1.00 42.08 O HETATM 1231 O HOH 66 22.410 24.964 7.555 1.00 36.66 O HETATM 1232 O HOH 67 0.661 35.425 -21.112 1.00 32.67 O HETATM 1233 O HOH 68 16.937 33.795 -15.590 1.00 40.66 O HETATM 1234 O HOH 69 1.724 37.816 -21.776 1.00 35.49 O HETATM 1235 O HOH 70 -9.200 35.412 -9.486 1.00 32.94 O HETATM 1236 O HOH 71 17.457 30.214 -13.287 1.00 30.37 O HETATM 1237 O HOH 72 11.834 40.943 -9.300 1.00 46.72 O HETATM 1238 O HOH 73 13.098 40.247 -13.817 1.00 34.38 O HETATM 1239 O HOH 74 -6.493 37.127 -5.597 1.00 44.36 O HETATM 1240 O HOH 75 17.267 28.446 -2.468 1.00 44.65 O HETATM 1241 O HOH 76 23.446 24.431 0.854 1.00 36.39 O HETATM 1242 O HOH 77 -12.689 25.842 1.269 1.00 32.75 O HETATM 1243 O HOH 78 -2.659 41.596 -13.181 1.00 41.14 O HETATM 1244 O HOH 79 16.861 38.124 3.242 1.00 36.33 O HETATM 1245 O HOH 80 -1.663 26.138 4.497 1.00 33.26 O HETATM 1246 O HOH 81 7.485 31.486 16.086 1.00 31.91 O HETATM 1247 O HOH 82 6.053 41.323 -15.739 1.00 71.42 O HETATM 1248 O HOH 83 6.151 26.257 18.884 1.00 49.63 O HETATM 1249 O HOH 84 -7.025 30.076 2.615 1.00 44.26 O HETATM 1250 O HOH 85 12.571 32.552 -18.180 1.00 30.69 O HETATM 1251 O HOH 86 22.484 27.372 8.020 1.00 38.87 O HETATM 1252 O HOH 87 2.493 39.184 -11.211 1.00 48.75 O HETATM 1253 O HOH 88 -6.358 27.648 -16.150 1.00 68.21 O HETATM 1254 O HOH 89 1.919 19.747 7.540 1.00 31.93 O HETATM 1255 O HOH 90 -5.393 19.678 -6.111 1.00 43.69 O HETATM 1256 O HOH 91 22.356 34.740 6.713 1.00 41.12 O HETATM 1257 O HOH 92 -4.263 21.235 -15.533 1.00 48.17 O HETATM 1258 O HOH 93 6.064 33.733 -24.510 1.00 37.32 O HETATM 1259 O HOH 94 10.891 33.531 16.693 1.00 39.71 O HETATM 1260 O HOH 95 18.173 35.567 -14.857 1.00 45.94 O HETATM 1261 O HOH 96 -3.350 36.273 -19.480 1.00 35.80 O HETATM 1262 O HOH 97 -8.287 21.535 -17.727 1.00 48.69 O HETATM 1263 O HOH 98 1.304 44.678 2.842 1.00 62.82 O HETATM 1264 O HOH 99 5.211 31.081 14.425 1.00 52.21 O HETATM 1265 O HOH 100 7.587 34.309 -0.073 1.00 94.43 O HETATM 1266 O HOH 101 14.271 36.474 -9.736 1.00103.82 O HETATM 1267 O HOH 102 -12.537 26.891 -10.127 1.00 46.11 O HETATM 1268 O HOH 103 19.907 19.978 -3.148 1.00 47.06 O HETATM 1269 O HOH 104 6.055 38.000 -25.138 1.00 51.48 O HETATM 1270 CLA UNN A 105 3.062 24.368 1.087 1.00 -0.08 CL HETATM 1271 CBB UNN A 105 2.225 23.468 2.301 1.00 0.05 C HETATM 1272 CAM UNN A 105 1.475 24.180 3.228 1.00 -0.05 C HETATM 1273 CAI UNN A 105 0.789 23.513 4.227 1.00 -0.07 C HETATM 1274 CAK UNN A 105 0.848 22.130 4.302 1.00 -0.07 C HETATM 1275 CAO UNN A 105 1.598 21.413 3.383 1.00 -0.06 C HETATM 1276 CBE UNN A 105 2.285 22.076 2.373 1.00 0.01 C HETATM 1277 CBF UNN A 105 3.074 21.231 1.425 1.00 0.13 C HETATM 1278 NBG UNN A 105 2.449 20.391 0.587 1.00 -0.20 N HETATM 1279 CBC UNN A 105 1.335 20.742 -0.242 1.00 0.07 C HETATM 1280 CAR UNN A 105 0.082 20.228 0.049 1.00 -0.05 C HETATM 1281 CAP UNN A 105 -1.001 20.562 -0.751 1.00 -0.07 C HETATM 1282 CAZ UNN A 105 -0.829 21.411 -1.834 1.00 -0.04 C HETATM 1283 CAT UNN A 105 -2.004 21.752 -2.687 1.00 0.03 C HETATM 1284 CAU UNN A 105 -2.544 20.621 -3.501 1.00 0.04 C HETATM 1285 OAD UNN A 105 -1.815 20.066 -4.372 1.00 -0.57 O HETATM 1286 OAA UNN A 105 -3.721 20.213 -3.309 1.00 -0.57 O HETATM 1287 H8 UNN A 105 -1.704 22.555 -3.376 1.00 0.06 H HETATM 1288 H9 UNN A 105 -2.809 22.114 -2.030 1.00 0.06 H HETATM 1289 CAQ UNN A 105 0.426 21.924 -2.129 1.00 -0.07 C HETATM 1290 CAS UNN A 105 1.511 21.588 -1.328 1.00 -0.05 C HETATM 1291 H11 UNN A 105 2.494 21.986 -1.551 1.00 0.05 H HETATM 1292 H10 UNN A 105 0.559 22.583 -2.979 1.00 0.05 H HETATM 1293 H7 UNN A 105 -1.983 20.159 -0.529 1.00 0.05 H HETATM 1294 H6 UNN A 105 -0.052 19.568 0.898 1.00 0.05 H HETATM 1295 CAX UNN A 105 3.073 19.206 0.547 1.00 0.27 C HETATM 1296 OAC UNN A 105 2.684 18.113 -0.192 1.00 -0.37 O HETATM 1297 CAW UNN A 105 4.187 19.272 1.371 1.00 0.19 C HETATM 1298 OAE UNN A 105 5.100 18.270 1.598 1.00 -0.32 O HETATM 1299 H12 UNN A 105 5.764 18.579 2.203 1.00 0.25 H HETATM 1300 CAY UNN A 105 4.199 20.561 1.903 1.00 0.09 C HETATM 1301 CAV UNN A 105 5.324 21.237 2.616 1.00 0.15 C HETATM 1302 OAB UNN A 105 5.339 22.451 2.659 1.00 -0.38 O HETATM 1303 CBD UNN A 105 6.436 20.510 3.289 1.00 0.04 C HETATM 1304 CBA UNN A 105 6.175 19.561 4.273 1.00 0.06 C HETATM 1305 CL2 UNN A 105 4.547 19.170 4.723 1.00 -0.06 CL HETATM 1306 CAL UNN A 105 7.232 18.911 4.894 1.00 -0.04 C HETATM 1307 CAH UNN A 105 8.535 19.221 4.536 1.00 -0.06 C HETATM 1308 CAJ UNN A 105 8.794 20.179 3.563 1.00 -0.06 C HETATM 1309 CAN UNN A 105 7.745 20.828 2.939 1.00 -0.04 C HETATM 1310 H16 UNN A 105 7.941 21.579 2.182 1.00 0.07 H HETATM 1311 H15 UNN A 105 9.817 20.417 3.294 1.00 0.06 H HETATM 1312 H14 UNN A 105 9.360 18.711 5.020 1.00 0.07 H HETATM 1313 H13 UNN A 105 7.040 18.164 5.656 1.00 0.06 H HETATM 1314 H5 UNN A 105 3.492 21.996 0.754 1.00 0.09 H HETATM 1315 H4 UNN A 105 1.649 20.332 3.452 1.00 0.06 H HETATM 1316 H3 UNN A 105 0.306 21.608 5.082 1.00 0.06 H HETATM 1317 H2 UNN A 105 0.206 24.071 4.950 1.00 0.06 H HETATM 1318 H1 UNN A 105 1.427 25.261 3.168 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1270 1271 CONECT 1271 1270 1272 1276 CONECT 1272 1271 1273 1318 CONECT 1273 1272 1274 1317 CONECT 1274 1273 1275 1316 CONECT 1275 1274 1276 1315 CONECT 1276 1271 1275 1277 CONECT 1277 1276 1278 1300 1314 CONECT 1278 1277 1279 1295 CONECT 1279 1278 1280 1290 CONECT 1280 1279 1281 1294 CONECT 1281 1280 1282 1293 CONECT 1282 1281 1283 1289 CONECT 1283 1282 1284 1287 1288 CONECT 1284 1283 1285 1286 CONECT 1285 1284 CONECT 1286 1284 CONECT 1287 1283 CONECT 1288 1283 CONECT 1289 1282 1290 1292 CONECT 1290 1279 1289 1291 CONECT 1291 1290 CONECT 1292 1289 CONECT 1293 1281 CONECT 1294 1280 CONECT 1295 1278 1296 1297 CONECT 1296 1295 CONECT 1297 1295 1298 1300 CONECT 1298 1297 1299 CONECT 1299 1298 CONECT 1300 1277 1297 1301 CONECT 1301 1300 1302 1303 CONECT 1302 1301 CONECT 1303 1301 1304 1309 CONECT 1304 1303 1305 1306 CONECT 1305 1304 CONECT 1306 1304 1307 1313 CONECT 1307 1306 1308 1312 CONECT 1308 1307 1309 1311 CONECT 1309 1303 1308 1310 CONECT 1310 1309 CONECT 1311 1308 CONECT 1312 1307 CONECT 1313 1306 CONECT 1314 1277 CONECT 1315 1275 CONECT 1316 1274 CONECT 1317 1273 CONECT 1318 1272 MASTER 0 0 0 0 0 0 0 0 1317 1 53 10 END
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Structure:
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Related entries of code: 4ibc
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%
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%
4ibk
RCSB PDB
PDBbind
129aa, >4IBK_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
4ibc
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Polymerase cofactor Ebola virus VP35
Ligand Name
12G
EC.Number
E.C.-.-.-.-
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
Kd=1049uM
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
5
H
1
7
Cl
2
NO
5
Molecular Weight
482.312
Exact Mass
481.048
No. of atoms
50
No. of bonds
53
Polar Surface Area
94.91
LOGP Value
6.71 (
Computed with XLOGP3
)
5.47 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 4
Canonical SMILES
OC(=O)Cc1ccc(cc1)N1C(=O)C(=C([C@@H]1c1ccccc1Cl)C(=O)c1ccccc1Cl)O
InChI String
InChI=1S/C25H17Cl2NO5/c26-18-7-3-1-5-16(18)22-21(23(31)17-6-2-4-8-19(17)27)24(32)25(33)28(22)15-11-9-14(10-12-15)13-20(29)30/h1-12,22,32H,13H2,(H,29,30)/t22-/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):
Q05127
Entrez Gene ID
NCBI Entrez Gene ID:
911827
ASD
Information of known allosteric effects of PDB entries
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