Browse entries in the PDBbind-CN Database
HEADER 4IBD_COMPLEX COMPND 4IBD_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 229 46 ATOM 1 N ASP A 218 -9.225 22.157 -16.696 1.00 49.44 N ATOM 2 CA ASP A 218 -8.894 23.027 -15.573 1.00 42.21 C ATOM 3 C ASP A 218 -7.647 22.548 -14.844 1.00 39.38 C ATOM 4 O ASP A 218 -7.563 21.392 -14.418 1.00 37.46 O ATOM 5 CB ASP A 218 -10.056 23.115 -14.586 1.00 46.42 C ATOM 6 CG ASP A 218 -11.151 24.053 -15.053 1.00 51.63 C ATOM 7 OD1 ASP A 218 -11.379 24.145 -16.279 1.00 56.76 O ATOM 8 OD2 ASP A 218 -11.779 24.702 -14.188 1.00 49.46 O ATOM 9 HN3 ASP A 218 -9.397 21.193 -16.347 1.00 0.00 H ATOM 10 HN2 ASP A 218 -8.433 22.146 -17.370 1.00 0.00 H ATOM 11 HN1 ASP A 218 -10.080 22.514 -17.169 1.00 0.00 H ATOM 12 N ILE A 219 -6.691 23.457 -14.693 1.00 34.22 N ATOM 13 CA ILE A 219 -5.424 23.166 -14.034 1.00 30.09 C ATOM 14 C ILE A 219 -5.620 22.742 -12.573 1.00 25.79 C ATOM 15 O ILE A 219 -6.364 23.378 -11.819 1.00 27.45 O ATOM 16 CB ILE A 219 -4.471 24.389 -14.133 1.00 50.90 C ATOM 17 CG1 ILE A 219 -3.108 24.077 -13.522 1.00 52.28 C ATOM 18 CG2 ILE A 219 -5.084 25.627 -13.495 1.00 46.89 C ATOM 19 CD1 ILE A 219 -2.095 23.676 -14.541 1.00 55.02 C ATOM 20 H ILE A 219 -6.853 24.416 -15.060 1.00 0.00 H ATOM 21 N SER A 220 -4.981 21.643 -12.182 1.00 23.82 N ATOM 22 CA SER A 220 -5.005 21.220 -10.787 1.00 19.12 C ATOM 23 C SER A 220 -3.805 21.813 -10.062 1.00 16.92 C ATOM 24 O SER A 220 -2.883 22.339 -10.692 1.00 17.15 O ATOM 25 CB SER A 220 -4.970 19.699 -10.675 1.00 21.01 C ATOM 26 OG SER A 220 -3.682 19.213 -10.986 1.00 20.42 O ATOM 27 HG SER A 220 -3.446 19.474 -11.911 1.00 0.00 H ATOM 28 H SER A 220 -4.457 21.078 -12.881 1.00 0.00 H ATOM 29 N ALA A 221 -3.813 21.739 -8.738 1.00 16.99 N ATOM 30 CA ALA A 221 -2.656 22.171 -7.975 1.00 18.00 C ATOM 31 C ALA A 221 -1.431 21.304 -8.321 1.00 14.47 C ATOM 32 O ALA A 221 -0.324 21.815 -8.457 1.00 13.18 O ATOM 33 CB ALA A 221 -2.955 22.135 -6.474 1.00 18.52 C ATOM 34 H ALA A 221 -4.651 21.370 -8.245 1.00 0.00 H ATOM 35 N LYS A 222 -1.614 19.996 -8.489 1.00 16.27 N ATOM 36 CA LYS A 222 -0.457 19.164 -8.842 1.00 16.72 C ATOM 37 C LYS A 222 0.118 19.571 -10.196 1.00 16.88 C ATOM 38 O LYS A 222 1.341 19.622 -10.377 1.00 15.57 O ATOM 39 CB LYS A 222 -0.815 17.668 -8.881 1.00 35.07 C ATOM 40 CG LYS A 222 -1.324 17.077 -7.570 1.00 48.16 C ATOM 41 CD LYS A 222 -0.223 16.877 -6.535 1.00 56.86 C ATOM 42 CE LYS A 222 -0.810 16.621 -5.146 1.00 59.18 C ATOM 43 NZ LYS A 222 -0.091 17.391 -4.086 1.00 58.13 N ATOM 44 HZ1 LYS A 222 0.910 17.110 -4.074 1.00 0.00 H ATOM 45 HZ2 LYS A 222 -0.164 18.408 -4.288 1.00 0.00 H ATOM 46 HZ3 LYS A 222 -0.520 17.189 -3.161 1.00 0.00 H ATOM 47 H LYS A 222 -2.557 19.573 -8.373 1.00 0.00 H ATOM 48 N ASP A 223 -0.771 19.856 -11.145 1.00 23.14 N ATOM 49 CA ASP A 223 -0.354 20.267 -12.480 1.00 17.01 C ATOM 50 C ASP A 223 0.433 21.560 -12.412 1.00 14.85 C ATOM 51 O ASP A 223 1.488 21.686 -13.029 1.00 14.73 O ATOM 52 CB ASP A 223 -1.553 20.486 -13.381 1.00 18.45 C ATOM 53 CG ASP A 223 -2.246 19.201 -13.763 1.00 38.76 C ATOM 54 OD1 ASP A 223 -1.605 18.132 -13.727 1.00 38.50 O ATOM 55 OD2 ASP A 223 -3.442 19.271 -14.111 1.00 43.30 O ATOM 56 H ASP A 223 -1.786 19.784 -10.929 1.00 0.00 H ATOM 57 N LEU A 224 -0.089 22.527 -11.665 1.00 13.70 N ATOM 58 CA LEU A 224 0.577 23.816 -11.572 1.00 12.12 C ATOM 59 C LEU A 224 1.960 23.685 -10.928 1.00 11.13 C ATOM 60 O LEU A 224 2.939 24.257 -11.406 1.00 13.57 O ATOM 61 CB LEU A 224 -0.294 24.824 -10.819 1.00 13.09 C ATOM 62 CG LEU A 224 0.268 26.246 -10.824 1.00 15.64 C ATOM 63 CD1 LEU A 224 0.507 26.685 -12.267 1.00 18.21 C ATOM 64 CD2 LEU A 224 -0.688 27.193 -10.122 1.00 14.32 C ATOM 65 H LEU A 224 -0.975 22.362 -11.146 1.00 0.00 H ATOM 66 N ARG A 225 2.039 22.943 -9.835 1.00 11.25 N ATOM 67 CA ARG A 225 3.321 22.665 -9.203 1.00 15.61 C ATOM 68 C ARG A 225 4.318 22.089 -10.215 1.00 12.78 C ATOM 69 O ARG A 225 5.475 22.505 -10.265 1.00 12.10 O ATOM 70 CB ARG A 225 3.137 21.691 -8.038 1.00 13.49 C ATOM 71 CG ARG A 225 4.422 21.345 -7.295 1.00 14.51 C ATOM 72 CD ARG A 225 4.288 19.974 -6.639 1.00 17.87 C ATOM 73 NE ARG A 225 4.336 18.895 -7.624 1.00 19.36 N ATOM 74 CZ ARG A 225 3.887 17.661 -7.405 1.00 23.41 C ATOM 75 NH1 ARG A 225 3.341 17.346 -6.238 1.00 29.13 N ATOM 76 NH2 ARG A 225 3.973 16.744 -8.357 1.00 20.79 N ATOM 77 HE ARG A 225 4.747 19.105 -8.556 1.00 0.00 H ATOM 78 HH12 ARG A 225 2.991 16.381 -6.071 1.00 0.00 H ATOM 79 HH11 ARG A 225 3.262 18.064 -5.490 1.00 0.00 H ATOM 80 HH22 ARG A 225 3.622 15.780 -8.184 1.00 0.00 H ATOM 81 HH21 ARG A 225 4.392 16.988 -9.277 1.00 0.00 H ATOM 82 H ARG A 225 1.170 22.551 -9.420 1.00 0.00 H ATOM 83 N ASN A 226 3.864 21.138 -11.024 1.00 14.76 N ATOM 84 CA ASN A 226 4.740 20.511 -12.019 1.00 15.74 C ATOM 85 C ASN A 226 5.213 21.467 -13.100 1.00 17.44 C ATOM 86 O ASN A 226 6.386 21.460 -13.465 1.00 16.39 O ATOM 87 CB ASN A 226 4.083 19.279 -12.655 1.00 16.28 C ATOM 88 CG ASN A 226 3.968 18.125 -11.690 1.00 24.62 C ATOM 89 OD1 ASN A 226 4.616 18.113 -10.645 1.00 24.80 O ATOM 90 ND2 ASN A 226 3.142 17.143 -12.034 1.00 28.73 N ATOM 91 HD22 ASN A 226 2.614 17.197 -12.929 1.00 0.00 H ATOM 92 HD21 ASN A 226 3.023 16.321 -11.409 1.00 0.00 H ATOM 93 H ASN A 226 2.872 20.834 -10.951 1.00 0.00 H ATOM 94 N ILE A 227 4.296 22.281 -13.616 1.00 16.96 N ATOM 95 CA ILE A 227 4.654 23.318 -14.582 1.00 16.54 C ATOM 96 C ILE A 227 5.733 24.247 -14.006 1.00 17.85 C ATOM 97 O ILE A 227 6.782 24.447 -14.621 1.00 15.30 O ATOM 98 CB ILE A 227 3.425 24.133 -15.001 1.00 15.89 C ATOM 99 CG1 ILE A 227 2.569 23.333 -15.990 1.00 21.75 C ATOM 100 CG2 ILE A 227 3.835 25.485 -15.605 1.00 18.06 C ATOM 101 CD1 ILE A 227 1.126 23.767 -16.012 1.00 22.96 C ATOM 102 H ILE A 227 3.303 22.177 -13.326 1.00 0.00 H ATOM 103 N MET A 228 5.483 24.786 -12.816 1.00 13.35 N ATOM 104 CA MET A 228 6.452 25.659 -12.160 1.00 9.57 C ATOM 105 C MET A 228 7.783 24.980 -11.879 1.00 13.88 C ATOM 106 O MET A 228 8.826 25.531 -12.183 1.00 10.47 O ATOM 107 CB MET A 228 5.863 26.235 -10.877 1.00 8.78 C ATOM 108 CG MET A 228 4.761 27.242 -11.176 1.00 9.48 C ATOM 109 SD MET A 228 3.928 27.853 -9.705 1.00 16.15 S ATOM 110 CE MET A 228 3.149 29.310 -10.399 1.00 13.36 C ATOM 111 H MET A 228 4.579 24.582 -12.343 1.00 0.00 H ATOM 112 N TYR A 229 7.746 23.774 -11.319 1.00 10.38 N ATOM 113 CA TYR A 229 8.973 23.024 -11.072 1.00 15.11 C ATOM 114 C TYR A 229 9.804 22.830 -12.333 1.00 16.78 C ATOM 115 O TYR A 229 11.032 22.827 -12.279 1.00 17.09 O ATOM 116 CB TYR A 229 8.659 21.628 -10.532 1.00 12.25 C ATOM 117 CG TYR A 229 8.435 21.529 -9.046 1.00 12.02 C ATOM 118 CD1 TYR A 229 8.177 22.652 -8.270 1.00 11.73 C ATOM 119 CD2 TYR A 229 8.492 20.293 -8.415 1.00 25.08 C ATOM 120 CE1 TYR A 229 7.973 22.538 -6.890 1.00 14.00 C ATOM 121 CE2 TYR A 229 8.296 20.172 -7.056 1.00 24.20 C ATOM 122 CZ TYR A 229 8.039 21.293 -6.299 1.00 18.05 C ATOM 123 OH TYR A 229 7.855 21.143 -4.944 1.00 23.99 O ATOM 124 HH TYR A 229 7.083 20.545 -4.781 1.00 0.00 H ATOM 125 H TYR A 229 6.830 23.360 -11.054 1.00 0.00 H ATOM 126 N ASP A 230 9.122 22.658 -13.462 1.00 18.20 N ATOM 127 CA ASP A 230 9.779 22.416 -14.744 1.00 19.48 C ATOM 128 C ASP A 230 10.689 23.577 -15.121 1.00 17.89 C ATOM 129 O ASP A 230 11.661 23.405 -15.854 1.00 18.82 O ATOM 130 CB ASP A 230 8.735 22.184 -15.843 1.00 20.22 C ATOM 131 CG ASP A 230 9.361 21.830 -17.181 1.00 24.49 C ATOM 132 OD1 ASP A 230 9.910 20.717 -17.302 1.00 20.92 O ATOM 133 OD2 ASP A 230 9.296 22.660 -18.113 1.00 28.29 O ATOM 134 H ASP A 230 8.083 22.697 -13.431 1.00 0.00 H ATOM 135 N HIS A 231 10.377 24.759 -14.603 1.00 15.39 N ATOM 136 CA HIS A 231 11.148 25.957 -14.930 1.00 20.24 C ATOM 137 C HIS A 231 12.273 26.273 -13.933 1.00 20.29 C ATOM 138 O HIS A 231 13.098 27.153 -14.180 1.00 18.82 O ATOM 139 CB HIS A 231 10.217 27.168 -15.070 1.00 16.55 C ATOM 140 CG HIS A 231 9.318 27.094 -16.269 1.00 18.14 C ATOM 141 ND1 HIS A 231 9.667 27.620 -17.493 1.00 18.02 N ATOM 142 CD2 HIS A 231 8.090 26.545 -16.429 1.00 12.66 C ATOM 143 CE1 HIS A 231 8.690 27.401 -18.360 1.00 16.06 C ATOM 144 NE2 HIS A 231 7.724 26.747 -17.740 1.00 16.77 N ATOM 145 H HIS A 231 9.569 24.834 -13.952 1.00 0.00 H ATOM 146 N LEU A 232 12.307 25.571 -12.806 1.00 12.28 N ATOM 147 CA LEU A 232 13.269 25.911 -11.758 1.00 9.81 C ATOM 148 C LEU A 232 14.526 25.048 -11.816 1.00 12.81 C ATOM 149 O LEU A 232 14.440 23.829 -12.006 1.00 14.09 O ATOM 150 CB LEU A 232 12.622 25.793 -10.373 1.00 9.38 C ATOM 151 CG LEU A 232 11.549 26.810 -9.961 1.00 10.89 C ATOM 152 CD1 LEU A 232 10.948 26.441 -8.615 1.00 15.35 C ATOM 153 CD2 LEU A 232 12.153 28.192 -9.896 1.00 10.96 C ATOM 154 H LEU A 232 11.648 24.778 -12.668 1.00 0.00 H ATOM 155 N PRO A 233 15.700 25.668 -11.622 1.00 13.83 N ATOM 156 CA PRO A 233 16.916 24.857 -11.508 1.00 19.89 C ATOM 157 C PRO A 233 17.043 24.281 -10.101 1.00 17.20 C ATOM 158 O PRO A 233 16.417 24.771 -9.153 1.00 14.34 O ATOM 159 CB PRO A 233 18.028 25.874 -11.755 1.00 18.01 C ATOM 160 CG PRO A 233 17.473 27.144 -11.168 1.00 14.67 C ATOM 161 CD PRO A 233 15.975 27.106 -11.437 1.00 13.30 C ATOM 162 N GLY A 234 17.851 23.241 -9.969 1.00 13.08 N ATOM 163 CA GLY A 234 18.076 22.618 -8.680 1.00 13.91 C ATOM 164 C GLY A 234 16.842 21.868 -8.229 1.00 15.72 C ATOM 165 O GLY A 234 15.876 21.742 -8.990 1.00 17.26 O ATOM 166 H GLY A 234 18.335 22.863 -10.808 1.00 0.00 H ATOM 167 N PHE A 235 16.868 21.374 -6.993 1.00 16.55 N ATOM 168 CA PHE A 235 15.702 20.703 -6.426 1.00 20.44 C ATOM 169 C PHE A 235 15.620 20.874 -4.920 1.00 13.47 C ATOM 170 O PHE A 235 16.631 20.859 -4.228 1.00 15.75 O ATOM 171 CB PHE A 235 15.647 19.221 -6.802 1.00 32.79 C ATOM 172 CG PHE A 235 14.250 18.656 -6.765 1.00 39.15 C ATOM 173 CD1 PHE A 235 13.268 19.157 -7.617 1.00 34.42 C ATOM 174 CD2 PHE A 235 13.909 17.651 -5.874 1.00 41.77 C ATOM 175 CE1 PHE A 235 11.971 18.664 -7.584 1.00 31.77 C ATOM 176 CE2 PHE A 235 12.611 17.151 -5.834 1.00 40.51 C ATOM 177 CZ PHE A 235 11.642 17.656 -6.690 1.00 35.53 C ATOM 178 H PHE A 235 17.732 21.468 -6.422 1.00 0.00 H ATOM 179 N GLY A 236 14.406 21.061 -4.424 1.00 16.29 N ATOM 180 CA GLY A 236 14.190 21.337 -3.015 1.00 17.30 C ATOM 181 C GLY A 236 14.746 22.669 -2.545 1.00 18.75 C ATOM 182 O GLY A 236 15.138 22.799 -1.387 1.00 20.57 O ATOM 183 H GLY A 236 13.586 21.009 -5.061 1.00 0.00 H ATOM 184 N THR A 237 14.781 23.660 -3.432 1.00 11.42 N ATOM 185 CA THR A 237 15.294 24.979 -3.078 1.00 15.65 C ATOM 186 C THR A 237 14.170 25.788 -2.435 1.00 12.53 C ATOM 187 O THR A 237 13.021 25.357 -2.434 1.00 12.21 O ATOM 188 CB THR A 237 15.778 25.745 -4.314 1.00 12.43 C ATOM 189 OG1 THR A 237 14.647 26.141 -5.104 1.00 10.81 O ATOM 190 CG2 THR A 237 16.727 24.871 -5.168 1.00 15.13 C ATOM 191 HG1 THR A 237 14.147 25.336 -5.389 1.00 0.00 H ATOM 192 H THR A 237 14.435 23.491 -4.398 1.00 0.00 H ATOM 193 N ALA A 238 14.492 26.962 -1.899 1.00 10.38 N ATOM 194 CA ALA A 238 13.453 27.829 -1.334 1.00 10.70 C ATOM 195 C ALA A 238 12.356 28.157 -2.356 1.00 8.91 C ATOM 196 O ALA A 238 11.187 28.306 -1.983 1.00 9.02 O ATOM 197 CB ALA A 238 14.058 29.101 -0.776 1.00 12.19 C ATOM 198 H ALA A 238 15.486 27.267 -1.881 1.00 0.00 H ATOM 199 N PHE A 239 12.729 28.257 -3.630 1.00 8.83 N ATOM 200 CA PHE A 239 11.755 28.550 -4.682 1.00 8.25 C ATOM 201 C PHE A 239 10.798 27.384 -4.927 1.00 12.21 C ATOM 202 O PHE A 239 9.626 27.589 -5.226 1.00 7.67 O ATOM 203 CB PHE A 239 12.449 29.008 -5.980 1.00 9.41 C ATOM 204 CG PHE A 239 12.932 30.440 -5.918 1.00 13.38 C ATOM 205 CD1 PHE A 239 12.040 31.482 -6.078 1.00 13.91 C ATOM 206 CD2 PHE A 239 14.272 30.733 -5.663 1.00 14.49 C ATOM 207 CE1 PHE A 239 12.472 32.813 -5.999 1.00 18.40 C ATOM 208 CE2 PHE A 239 14.711 32.048 -5.586 1.00 16.26 C ATOM 209 CZ PHE A 239 13.807 33.089 -5.753 1.00 21.08 C ATOM 210 H PHE A 239 13.729 28.125 -3.882 1.00 0.00 H ATOM 211 N HIS A 240 11.295 26.159 -4.795 1.00 8.58 N ATOM 212 CA HIS A 240 10.416 24.997 -4.866 1.00 12.32 C ATOM 213 C HIS A 240 9.391 25.013 -3.734 1.00 12.12 C ATOM 214 O HIS A 240 8.224 24.674 -3.934 1.00 8.34 O ATOM 215 CB HIS A 240 11.228 23.708 -4.808 1.00 10.72 C ATOM 216 CG HIS A 240 12.005 23.439 -6.056 1.00 13.19 C ATOM 217 ND1 HIS A 240 13.282 23.922 -6.259 1.00 13.37 N ATOM 218 CD2 HIS A 240 11.677 22.754 -7.177 1.00 10.32 C ATOM 219 CE1 HIS A 240 13.711 23.531 -7.446 1.00 16.54 C ATOM 220 NE2 HIS A 240 12.756 22.824 -8.025 1.00 15.54 N ATOM 221 H HIS A 240 12.315 26.028 -4.640 1.00 0.00 H ATOM 222 N GLN A 241 9.822 25.403 -2.539 1.00 11.35 N ATOM 223 CA GLN A 241 8.879 25.521 -1.437 1.00 8.47 C ATOM 224 C GLN A 241 7.873 26.640 -1.701 1.00 8.22 C ATOM 225 O GLN A 241 6.711 26.525 -1.319 1.00 8.56 O ATOM 226 CB GLN A 241 9.606 25.742 -0.107 1.00 12.45 C ATOM 227 CG GLN A 241 8.678 25.699 1.110 1.00 15.59 C ATOM 228 CD GLN A 241 7.946 24.366 1.252 1.00 21.49 C ATOM 229 OE1 GLN A 241 8.443 23.329 0.828 1.00 21.58 O ATOM 230 NE2 GLN A 241 6.757 24.397 1.844 1.00 16.83 N ATOM 231 HE22 GLN A 241 6.372 25.299 2.190 1.00 0.00 H ATOM 232 HE21 GLN A 241 6.212 23.519 1.962 1.00 0.00 H ATOM 233 H GLN A 241 10.828 25.623 -2.392 1.00 0.00 H ATOM 234 N LEU A 242 8.317 27.730 -2.333 1.00 8.45 N ATOM 235 CA LEU A 242 7.394 28.810 -2.671 1.00 9.46 C ATOM 236 C LEU A 242 6.307 28.336 -3.646 1.00 9.16 C ATOM 237 O LEU A 242 5.146 28.696 -3.507 1.00 10.61 O ATOM 238 CB LEU A 242 8.133 30.045 -3.210 1.00 8.57 C ATOM 239 CG LEU A 242 7.274 31.242 -3.636 1.00 9.24 C ATOM 240 CD1 LEU A 242 6.399 31.759 -2.487 1.00 7.52 C ATOM 241 CD2 LEU A 242 8.183 32.344 -4.157 1.00 7.41 C ATOM 242 H LEU A 242 9.323 27.810 -2.585 1.00 0.00 H ATOM 243 N VAL A 243 6.691 27.526 -4.621 1.00 10.27 N ATOM 244 CA VAL A 243 5.723 26.869 -5.497 1.00 12.31 C ATOM 245 C VAL A 243 4.684 26.092 -4.685 1.00 9.44 C ATOM 246 O VAL A 243 3.478 26.221 -4.937 1.00 8.30 O ATOM 247 CB VAL A 243 6.421 25.911 -6.488 1.00 7.62 C ATOM 248 CG1 VAL A 243 5.409 25.038 -7.208 1.00 7.99 C ATOM 249 CG2 VAL A 243 7.265 26.696 -7.497 1.00 7.53 C ATOM 250 H VAL A 243 7.706 27.353 -4.767 1.00 0.00 H ATOM 251 N GLN A 244 5.144 25.291 -3.722 1.00 9.18 N ATOM 252 CA GLN A 244 4.229 24.534 -2.862 1.00 8.60 C ATOM 253 C GLN A 244 3.211 25.434 -2.177 1.00 7.71 C ATOM 254 O GLN A 244 2.023 25.133 -2.167 1.00 8.12 O ATOM 255 CB GLN A 244 4.992 23.734 -1.794 1.00 15.13 C ATOM 256 CG GLN A 244 5.891 22.616 -2.331 1.00 18.68 C ATOM 257 CD GLN A 244 5.135 21.368 -2.793 1.00 27.64 C ATOM 258 OE1 GLN A 244 3.951 21.190 -2.514 1.00 25.30 O ATOM 259 NE2 GLN A 244 5.831 20.504 -3.519 1.00 40.87 N ATOM 260 HE22 GLN A 244 6.831 20.692 -3.733 1.00 0.00 H ATOM 261 HE21 GLN A 244 5.377 19.639 -3.874 1.00 0.00 H ATOM 262 H GLN A 244 6.170 25.202 -3.579 1.00 0.00 H ATOM 263 N VAL A 245 3.690 26.546 -1.623 1.00 7.38 N ATOM 264 CA VAL A 245 2.850 27.502 -0.889 1.00 11.19 C ATOM 265 C VAL A 245 1.888 28.262 -1.810 1.00 9.07 C ATOM 266 O VAL A 245 0.708 28.443 -1.494 1.00 7.25 O ATOM 267 CB VAL A 245 3.736 28.511 -0.113 1.00 8.55 C ATOM 268 CG1 VAL A 245 2.915 29.740 0.376 1.00 7.22 C ATOM 269 CG2 VAL A 245 4.463 27.817 1.043 1.00 7.58 C ATOM 270 H VAL A 245 4.706 26.747 -1.714 1.00 0.00 H ATOM 271 N ILE A 246 2.399 28.731 -2.942 1.00 8.49 N ATOM 272 CA ILE A 246 1.540 29.353 -3.940 1.00 7.00 C ATOM 273 C ILE A 246 0.438 28.390 -4.399 1.00 7.60 C ATOM 274 O ILE A 246 -0.710 28.774 -4.580 1.00 8.44 O ATOM 275 CB ILE A 246 2.360 29.860 -5.146 1.00 6.92 C ATOM 276 CG1 ILE A 246 3.188 31.090 -4.754 1.00 10.53 C ATOM 277 CG2 ILE A 246 1.443 30.209 -6.311 1.00 8.28 C ATOM 278 CD1 ILE A 246 4.267 31.461 -5.793 1.00 8.81 C ATOM 279 H ILE A 246 3.421 28.654 -3.118 1.00 0.00 H ATOM 280 N CYS A 247 0.780 27.124 -4.567 1.00 7.49 N ATOM 281 CA CYS A 247 -0.205 26.163 -5.049 1.00 11.24 C ATOM 282 C CYS A 247 -1.270 25.818 -4.001 1.00 11.58 C ATOM 283 O CYS A 247 -2.445 25.678 -4.331 1.00 10.45 O ATOM 284 CB CYS A 247 0.484 24.884 -5.551 1.00 13.85 C ATOM 285 SG CYS A 247 1.285 25.077 -7.182 1.00 15.79 S ATOM 286 H CYS A 247 1.750 26.814 -4.356 1.00 0.00 H ATOM 287 N LYS A 248 -0.848 25.665 -2.749 1.00 13.17 N ATOM 288 CA LYS A 248 -1.748 25.338 -1.646 1.00 9.82 C ATOM 289 C LYS A 248 -2.705 26.503 -1.408 1.00 10.72 C ATOM 290 O LYS A 248 -3.929 26.324 -1.405 1.00 9.91 O ATOM 291 CB LYS A 248 -0.942 25.099 -0.364 1.00 9.44 C ATOM 292 CG LYS A 248 -1.801 24.966 0.897 1.00 14.52 C ATOM 293 CD LYS A 248 -2.800 23.814 0.801 1.00 21.89 C ATOM 294 CE LYS A 248 -3.614 23.689 2.110 1.00 24.79 C ATOM 295 NZ LYS A 248 -4.843 22.859 1.924 1.00 28.86 N ATOM 296 HZ1 LYS A 248 -5.450 23.298 1.202 1.00 0.00 H ATOM 297 HZ2 LYS A 248 -4.571 21.904 1.616 1.00 0.00 H ATOM 298 HZ3 LYS A 248 -5.360 22.800 2.825 1.00 0.00 H ATOM 299 H LYS A 248 0.165 25.783 -2.547 1.00 0.00 H ATOM 300 N LEU A 249 -2.139 27.687 -1.197 1.00 11.58 N ATOM 301 CA LEU A 249 -2.942 28.889 -0.962 1.00 10.11 C ATOM 302 C LEU A 249 -3.802 29.222 -2.175 1.00 11.34 C ATOM 303 O LEU A 249 -4.930 29.700 -2.034 1.00 11.47 O ATOM 304 CB LEU A 249 -2.073 30.088 -0.554 1.00 13.54 C ATOM 305 CG LEU A 249 -1.786 30.231 0.952 1.00 18.57 C ATOM 306 CD1 LEU A 249 -1.252 28.951 1.574 1.00 21.73 C ATOM 307 CD2 LEU A 249 -0.828 31.383 1.254 1.00 12.72 C ATOM 308 H LEU A 249 -1.102 27.762 -1.199 1.00 0.00 H ATOM 309 N GLY A 250 -3.268 28.958 -3.361 1.00 8.66 N ATOM 310 CA GLY A 250 -4.022 29.130 -4.594 1.00 8.76 C ATOM 311 C GLY A 250 -5.197 28.174 -4.709 1.00 9.47 C ATOM 312 O GLY A 250 -6.285 28.561 -5.128 1.00 10.10 O ATOM 313 H GLY A 250 -2.286 28.620 -3.411 1.00 0.00 H ATOM 314 N LYS A 251 -4.985 26.899 -4.361 1.00 9.58 N ATOM 315 CA LYS A 251 -6.096 25.966 -4.395 1.00 10.47 C ATOM 316 C LYS A 251 -7.191 26.413 -3.443 1.00 10.82 C ATOM 317 O LYS A 251 -8.359 26.475 -3.815 1.00 11.80 O ATOM 318 CB LYS A 251 -5.652 24.534 -4.037 1.00 10.75 C ATOM 319 CG LYS A 251 -6.816 23.564 -3.962 1.00 19.90 C ATOM 320 CD LYS A 251 -6.326 22.126 -3.967 1.00 21.56 C ATOM 321 CE LYS A 251 -7.484 21.144 -4.000 1.00 30.56 C ATOM 322 NZ LYS A 251 -6.985 19.751 -4.115 1.00 38.71 N ATOM 323 HZ1 LYS A 251 -6.434 19.653 -4.992 1.00 0.00 H ATOM 324 HZ2 LYS A 251 -6.380 19.532 -3.298 1.00 0.00 H ATOM 325 HZ3 LYS A 251 -7.792 19.096 -4.136 1.00 0.00 H ATOM 326 H LYS A 251 -4.038 26.582 -4.071 1.00 0.00 H ATOM 327 N ASP A 252 -6.798 26.737 -2.216 1.00 12.86 N ATOM 328 CA ASP A 252 -7.740 27.072 -1.154 1.00 13.31 C ATOM 329 C ASP A 252 -8.546 28.345 -1.456 1.00 11.02 C ATOM 330 O ASP A 252 -9.612 28.575 -0.873 1.00 11.67 O ATOM 331 CB ASP A 252 -6.999 27.245 0.174 1.00 18.11 C ATOM 332 CG ASP A 252 -6.493 25.933 0.746 1.00 22.96 C ATOM 333 OD1 ASP A 252 -6.896 24.857 0.257 1.00 20.14 O ATOM 334 OD2 ASP A 252 -5.702 25.989 1.708 1.00 23.00 O ATOM 335 H ASP A 252 -5.780 26.752 -2.005 1.00 0.00 H ATOM 336 N SER A 253 -8.046 29.166 -2.369 1.00 10.69 N ATOM 337 CA SER A 253 -8.741 30.397 -2.744 1.00 14.21 C ATOM 338 C SER A 253 -9.209 30.362 -4.196 1.00 13.88 C ATOM 339 O SER A 253 -9.492 31.404 -4.795 1.00 12.16 O ATOM 340 CB SER A 253 -7.852 31.617 -2.497 1.00 17.81 C ATOM 341 OG SER A 253 -7.662 31.815 -1.107 1.00 21.78 O ATOM 342 HG SER A 253 -7.229 31.015 -0.717 1.00 0.00 H ATOM 343 H SER A 253 -7.143 28.930 -2.827 1.00 0.00 H ATOM 344 N ASN A 254 -9.278 29.159 -4.758 1.00 11.96 N ATOM 345 CA ASN A 254 -9.780 28.972 -6.115 1.00 12.73 C ATOM 346 C ASN A 254 -9.126 29.923 -7.117 1.00 12.48 C ATOM 347 O ASN A 254 -9.802 30.468 -8.001 1.00 13.33 O ATOM 348 CB ASN A 254 -11.299 29.168 -6.132 1.00 19.38 C ATOM 349 CG ASN A 254 -12.021 28.079 -6.893 1.00 31.86 C ATOM 350 OD1 ASN A 254 -12.581 27.155 -6.297 1.00 34.20 O ATOM 351 ND2 ASN A 254 -12.009 28.179 -8.220 1.00 34.29 N ATOM 352 HD22 ASN A 254 -11.523 28.977 -8.677 1.00 0.00 H ATOM 353 HD21 ASN A 254 -12.485 27.459 -8.800 1.00 0.00 H ATOM 354 H ASN A 254 -8.966 28.329 -4.215 1.00 0.00 H ATOM 355 N SER A 255 -7.819 30.133 -6.957 1.00 11.46 N ATOM 356 CA SER A 255 -7.093 31.107 -7.765 1.00 15.67 C ATOM 357 C SER A 255 -5.994 30.500 -8.630 1.00 12.66 C ATOM 358 O SER A 255 -5.126 31.218 -9.128 1.00 10.49 O ATOM 359 CB SER A 255 -6.498 32.187 -6.852 1.00 10.73 C ATOM 360 OG SER A 255 -7.542 32.901 -6.209 1.00 13.88 O ATOM 361 HG SER A 255 -8.083 32.274 -5.666 1.00 0.00 H ATOM 362 H SER A 255 -7.303 29.588 -6.237 1.00 0.00 H ATOM 363 N LEU A 256 -6.022 29.183 -8.818 1.00 11.20 N ATOM 364 CA LEU A 256 -4.956 28.533 -9.581 1.00 13.74 C ATOM 365 C LEU A 256 -4.876 29.056 -11.011 1.00 11.92 C ATOM 366 O LEU A 256 -3.789 29.136 -11.587 1.00 10.92 O ATOM 367 CB LEU A 256 -5.110 27.011 -9.586 1.00 11.73 C ATOM 368 CG LEU A 256 -5.037 26.352 -8.201 1.00 10.98 C ATOM 369 CD1 LEU A 256 -5.469 24.894 -8.310 1.00 13.98 C ATOM 370 CD2 LEU A 256 -3.630 26.460 -7.627 1.00 9.75 C ATOM 371 H LEU A 256 -6.800 28.617 -8.423 1.00 0.00 H ATOM 372 N ASP A 257 -6.018 29.419 -11.585 1.00 12.08 N ATOM 373 CA ASP A 257 -5.994 29.890 -12.965 1.00 14.03 C ATOM 374 C ASP A 257 -5.313 31.256 -13.108 1.00 13.24 C ATOM 375 O ASP A 257 -4.471 31.439 -13.991 1.00 13.69 O ATOM 376 CB ASP A 257 -7.389 29.895 -13.582 1.00 15.33 C ATOM 377 CG ASP A 257 -7.395 30.464 -14.984 1.00 22.69 C ATOM 378 OD1 ASP A 257 -7.476 31.706 -15.120 1.00 26.37 O ATOM 379 OD2 ASP A 257 -7.318 29.671 -15.948 1.00 22.18 O ATOM 380 H ASP A 257 -6.914 29.368 -11.059 1.00 0.00 H ATOM 381 N ILE A 258 -5.657 32.218 -12.258 1.00 13.83 N ATOM 382 CA ILE A 258 -5.001 33.527 -12.375 1.00 13.76 C ATOM 383 C ILE A 258 -3.516 33.429 -12.039 1.00 11.14 C ATOM 384 O ILE A 258 -2.690 34.054 -12.694 1.00 11.49 O ATOM 385 CB ILE A 258 -5.692 34.649 -11.564 1.00 16.22 C ATOM 386 CG1 ILE A 258 -4.986 35.984 -11.815 1.00 15.28 C ATOM 387 CG2 ILE A 258 -5.725 34.328 -10.089 1.00 11.88 C ATOM 388 CD1 ILE A 258 -4.871 36.335 -13.304 1.00 16.53 C ATOM 389 H ILE A 258 -6.375 32.048 -11.526 1.00 0.00 H ATOM 390 N ILE A 259 -3.172 32.606 -11.050 1.00 10.34 N ATOM 391 CA ILE A 259 -1.770 32.374 -10.717 1.00 13.12 C ATOM 392 C ILE A 259 -1.012 31.803 -11.921 1.00 12.03 C ATOM 393 O ILE A 259 0.074 32.264 -12.253 1.00 9.36 O ATOM 394 CB ILE A 259 -1.618 31.433 -9.489 1.00 11.32 C ATOM 395 CG1 ILE A 259 -2.155 32.119 -8.218 1.00 8.83 C ATOM 396 CG2 ILE A 259 -0.160 31.011 -9.310 1.00 8.26 C ATOM 397 CD1 ILE A 259 -2.459 31.156 -7.040 1.00 8.54 C ATOM 398 H ILE A 259 -3.914 32.121 -10.506 1.00 0.00 H ATOM 399 N HIS A 260 -1.591 30.814 -12.589 1.00 10.03 N ATOM 400 CA HIS A 260 -0.931 30.240 -13.755 1.00 10.28 C ATOM 401 C HIS A 260 -0.763 31.289 -14.850 1.00 10.81 C ATOM 402 O HIS A 260 0.286 31.371 -15.483 1.00 10.73 O ATOM 403 CB HIS A 260 -1.700 29.036 -14.300 1.00 10.99 C ATOM 404 CG HIS A 260 -1.064 28.436 -15.516 1.00 15.16 C ATOM 405 ND1 HIS A 260 -1.635 28.506 -16.768 1.00 22.78 N ATOM 406 CD2 HIS A 260 0.119 27.802 -15.679 1.00 16.78 C ATOM 407 CE1 HIS A 260 -0.846 27.911 -17.645 1.00 23.47 C ATOM 408 NE2 HIS A 260 0.228 27.476 -17.009 1.00 21.46 N ATOM 409 H HIS A 260 -2.515 30.449 -12.281 1.00 0.00 H ATOM 410 N ALA A 261 -1.790 32.108 -15.048 1.00 11.50 N ATOM 411 CA ALA A 261 -1.757 33.147 -16.074 1.00 12.27 C ATOM 412 C ALA A 261 -0.684 34.192 -15.786 1.00 12.36 C ATOM 413 O ALA A 261 0.023 34.633 -16.709 1.00 12.25 O ATOM 414 CB ALA A 261 -3.137 33.806 -16.245 1.00 13.31 C ATOM 415 H ALA A 261 -2.640 32.007 -14.457 1.00 0.00 H ATOM 416 N GLU A 262 -0.541 34.576 -14.512 1.00 13.06 N ATOM 417 CA GLU A 262 0.478 35.567 -14.146 1.00 13.48 C ATOM 418 C GLU A 262 1.868 34.976 -14.312 1.00 13.60 C ATOM 419 O GLU A 262 2.796 35.650 -14.753 1.00 12.43 O ATOM 420 CB GLU A 262 0.280 36.081 -12.706 1.00 13.64 C ATOM 421 CG GLU A 262 -1.017 36.887 -12.494 1.00 14.62 C ATOM 422 CD GLU A 262 -0.877 38.357 -12.840 1.00 23.51 C ATOM 423 OE1 GLU A 262 0.225 38.777 -13.251 1.00 23.54 O ATOM 424 OE2 GLU A 262 -1.874 39.098 -12.697 1.00 27.66 O ATOM 425 H GLU A 262 -1.155 34.170 -13.777 1.00 0.00 H ATOM 426 N PHE A 263 2.012 33.705 -13.961 1.00 9.81 N ATOM 427 CA PHE A 263 3.294 33.031 -14.116 1.00 13.10 C ATOM 428 C PHE A 263 3.725 33.009 -15.581 1.00 15.54 C ATOM 429 O PHE A 263 4.845 33.397 -15.913 1.00 12.60 O ATOM 430 CB PHE A 263 3.209 31.613 -13.568 1.00 8.93 C ATOM 431 CG PHE A 263 4.507 30.853 -13.634 1.00 9.58 C ATOM 432 CD1 PHE A 263 5.567 31.189 -12.809 1.00 9.83 C ATOM 433 CD2 PHE A 263 4.641 29.772 -14.494 1.00 9.53 C ATOM 434 CE1 PHE A 263 6.761 30.466 -12.853 1.00 13.26 C ATOM 435 CE2 PHE A 263 5.822 29.053 -14.548 1.00 13.51 C ATOM 436 CZ PHE A 263 6.887 29.399 -13.723 1.00 11.01 C ATOM 437 H PHE A 263 1.201 33.184 -13.571 1.00 0.00 H ATOM 438 N GLN A 264 2.826 32.571 -16.454 1.00 12.88 N ATOM 439 CA GLN A 264 3.117 32.527 -17.880 1.00 13.79 C ATOM 440 C GLN A 264 3.362 33.916 -18.477 1.00 16.92 C ATOM 441 O GLN A 264 4.233 34.075 -19.332 1.00 15.05 O ATOM 442 CB GLN A 264 1.998 31.805 -18.639 1.00 16.95 C ATOM 443 CG GLN A 264 1.836 30.319 -18.264 1.00 20.59 C ATOM 444 CD GLN A 264 3.061 29.460 -18.620 1.00 28.01 C ATOM 445 OE1 GLN A 264 3.981 29.914 -19.302 1.00 25.69 O ATOM 446 NE2 GLN A 264 3.065 28.211 -18.155 1.00 28.87 N ATOM 447 HE22 GLN A 264 2.268 27.867 -17.582 1.00 0.00 H ATOM 448 HE21 GLN A 264 3.865 27.581 -18.365 1.00 0.00 H ATOM 449 H GLN A 264 1.896 32.253 -16.113 1.00 0.00 H ATOM 450 N ALA A 265 2.605 34.919 -18.033 1.00 14.34 N ATOM 451 CA ALA A 265 2.771 36.263 -18.576 1.00 13.09 C ATOM 452 C ALA A 265 4.145 36.813 -18.217 1.00 17.88 C ATOM 453 O ALA A 265 4.795 37.467 -19.040 1.00 17.29 O ATOM 454 CB ALA A 265 1.681 37.198 -18.082 1.00 13.64 C ATOM 455 H ALA A 265 1.893 34.743 -17.296 1.00 0.00 H ATOM 456 N SER A 266 4.582 36.552 -16.986 1.00 15.62 N ATOM 457 CA SER A 266 5.893 36.994 -16.521 1.00 14.98 C ATOM 458 C SER A 266 7.008 36.371 -17.343 1.00 15.55 C ATOM 459 O SER A 266 7.916 37.066 -17.797 1.00 15.35 O ATOM 460 CB SER A 266 6.095 36.648 -15.043 1.00 13.97 C ATOM 461 OG SER A 266 5.452 37.581 -14.205 1.00 12.34 O ATOM 462 HG SER A 266 5.601 37.330 -13.259 1.00 0.00 H ATOM 463 H SER A 266 3.971 36.017 -16.337 1.00 0.00 H ATOM 464 N LEU A 267 6.939 35.056 -17.532 1.00 11.17 N ATOM 465 CA LEU A 267 7.933 34.373 -18.365 1.00 12.64 C ATOM 466 C LEU A 267 7.936 34.920 -19.786 1.00 14.19 C ATOM 467 O LEU A 267 8.993 35.148 -20.378 1.00 12.77 O ATOM 468 CB LEU A 267 7.646 32.881 -18.429 1.00 12.97 C ATOM 469 CG LEU A 267 7.780 32.143 -17.113 1.00 16.73 C ATOM 470 CD1 LEU A 267 7.387 30.689 -17.346 1.00 14.02 C ATOM 471 CD2 LEU A 267 9.207 32.257 -16.580 1.00 16.33 C ATOM 472 H LEU A 267 6.175 34.509 -17.086 1.00 0.00 H ATOM 473 N ALA A 268 6.744 35.144 -20.326 1.00 14.66 N ATOM 474 CA ALA A 268 6.620 35.614 -21.704 1.00 18.94 C ATOM 475 C ALA A 268 7.242 37.001 -21.895 1.00 19.19 C ATOM 476 O ALA A 268 7.638 37.358 -23.005 1.00 17.55 O ATOM 477 CB ALA A 268 5.158 35.609 -22.140 1.00 19.56 C ATOM 478 H ALA A 268 5.886 34.983 -19.760 1.00 0.00 H ATOM 479 N GLU A 269 7.323 37.782 -20.821 1.00 24.79 N ATOM 480 CA GLU A 269 7.964 39.102 -20.873 1.00 26.40 C ATOM 481 C GLU A 269 9.484 39.013 -20.724 1.00 25.19 C ATOM 482 O GLU A 269 10.187 40.005 -20.890 1.00 26.69 O ATOM 483 CB GLU A 269 7.411 40.018 -19.781 1.00 32.14 C ATOM 484 CG GLU A 269 5.964 40.403 -19.969 1.00 34.80 C ATOM 485 CD GLU A 269 5.752 41.286 -21.188 1.00 49.12 C ATOM 486 OE1 GLU A 269 6.717 41.967 -21.610 1.00 50.02 O ATOM 487 OE2 GLU A 269 4.621 41.298 -21.724 1.00 54.56 O ATOM 488 H GLU A 269 6.922 37.449 -19.921 1.00 0.00 H ATOM 489 N GLY A 270 9.982 37.829 -20.392 1.00 22.77 N ATOM 490 CA GLY A 270 11.411 37.616 -20.253 1.00 21.78 C ATOM 491 C GLY A 270 11.922 37.522 -18.820 1.00 19.71 C ATOM 492 O GLY A 270 13.121 37.414 -18.610 1.00 19.14 O ATOM 493 H GLY A 270 9.332 37.034 -20.227 1.00 0.00 H ATOM 494 N ASP A 271 11.023 37.561 -17.837 1.00 18.79 N ATOM 495 CA ASP A 271 11.439 37.438 -16.437 1.00 17.58 C ATOM 496 C ASP A 271 11.988 36.042 -16.172 1.00 15.87 C ATOM 497 O ASP A 271 11.560 35.063 -16.804 1.00 18.19 O ATOM 498 CB ASP A 271 10.265 37.673 -15.480 1.00 19.52 C ATOM 499 CG ASP A 271 9.818 39.122 -15.415 1.00 28.52 C ATOM 500 OD1 ASP A 271 10.661 40.029 -15.572 1.00 26.65 O ATOM 501 OD2 ASP A 271 8.610 39.352 -15.180 1.00 35.83 O ATOM 502 H ASP A 271 10.015 37.680 -18.066 1.00 0.00 H ATOM 503 N SER A 272 12.912 35.943 -15.225 1.00 15.71 N ATOM 504 CA SER A 272 13.346 34.643 -14.727 1.00 13.93 C ATOM 505 C SER A 272 12.156 33.952 -14.050 1.00 15.40 C ATOM 506 O SER A 272 11.223 34.614 -13.601 1.00 13.87 O ATOM 507 CB SER A 272 14.511 34.802 -13.746 1.00 14.12 C ATOM 508 OG SER A 272 14.092 35.419 -12.538 1.00 12.68 O ATOM 509 HG SER A 272 14.867 35.507 -11.928 1.00 0.00 H ATOM 510 H SER A 272 13.334 36.808 -14.831 1.00 0.00 H ATOM 511 N PRO A 273 12.168 32.616 -13.996 1.00 12.54 N ATOM 512 CA PRO A 273 11.069 31.938 -13.302 1.00 16.56 C ATOM 513 C PRO A 273 11.036 32.297 -11.817 1.00 13.28 C ATOM 514 O PRO A 273 9.968 32.295 -11.208 1.00 11.51 O ATOM 515 CB PRO A 273 11.382 30.449 -13.499 1.00 16.12 C ATOM 516 CG PRO A 273 12.832 30.399 -13.908 1.00 22.65 C ATOM 517 CD PRO A 273 13.093 31.674 -14.651 1.00 17.57 C ATOM 518 N GLN A 274 12.197 32.602 -11.244 1.00 12.49 N ATOM 519 CA GLN A 274 12.259 32.989 -9.844 1.00 12.51 C ATOM 520 C GLN A 274 11.560 34.328 -9.663 1.00 10.78 C ATOM 521 O GLN A 274 10.771 34.500 -8.735 1.00 11.95 O ATOM 522 CB GLN A 274 13.708 33.077 -9.367 1.00 13.84 C ATOM 523 CG GLN A 274 14.464 31.753 -9.372 1.00 16.58 C ATOM 524 CD GLN A 274 15.170 31.451 -10.690 1.00 17.32 C ATOM 525 OE1 GLN A 274 14.916 32.088 -11.716 1.00 16.69 O ATOM 526 NE2 GLN A 274 16.065 30.466 -10.663 1.00 15.19 N ATOM 527 HE22 GLN A 274 16.249 29.954 -9.776 1.00 0.00 H ATOM 528 HE21 GLN A 274 16.581 30.208 -11.529 1.00 0.00 H ATOM 529 H GLN A 274 13.072 32.563 -11.805 1.00 0.00 H ATOM 530 N CYS A 275 11.860 35.272 -10.554 1.00 11.04 N ATOM 531 CA CYS A 275 11.212 36.579 -10.545 1.00 14.10 C ATOM 532 C CYS A 275 9.706 36.437 -10.756 1.00 16.09 C ATOM 533 O CYS A 275 8.915 37.152 -10.143 1.00 11.70 O ATOM 534 CB CYS A 275 11.813 37.480 -11.627 1.00 14.38 C ATOM 535 SG CYS A 275 11.060 39.121 -11.780 1.00 19.26 S ATOM 536 H CYS A 275 12.579 35.071 -11.278 1.00 0.00 H ATOM 537 N ALA A 276 9.317 35.503 -11.620 1.00 10.76 N ATOM 538 CA ALA A 276 7.898 35.251 -11.893 1.00 14.85 C ATOM 539 C ALA A 276 7.152 34.785 -10.640 1.00 13.31 C ATOM 540 O ALA A 276 5.997 35.150 -10.421 1.00 11.89 O ATOM 541 CB ALA A 276 7.739 34.223 -13.013 1.00 11.10 C ATOM 542 H ALA A 276 10.037 34.938 -12.114 1.00 0.00 H ATOM 543 N LEU A 277 7.804 33.965 -9.826 1.00 15.86 N ATOM 544 CA LEU A 277 7.164 33.471 -8.607 1.00 12.72 C ATOM 545 C LEU A 277 7.000 34.606 -7.611 1.00 11.00 C ATOM 546 O LEU A 277 5.954 34.752 -6.980 1.00 12.91 O ATOM 547 CB LEU A 277 7.980 32.333 -7.998 1.00 12.72 C ATOM 548 CG LEU A 277 7.983 31.032 -8.809 1.00 12.52 C ATOM 549 CD1 LEU A 277 8.952 30.018 -8.204 1.00 15.61 C ATOM 550 CD2 LEU A 277 6.564 30.444 -8.929 1.00 10.28 C ATOM 551 H LEU A 277 8.775 33.672 -10.056 1.00 0.00 H ATOM 552 N ILE A 278 8.040 35.428 -7.481 1.00 9.71 N ATOM 553 CA ILE A 278 7.976 36.583 -6.599 1.00 9.22 C ATOM 554 C ILE A 278 6.891 37.591 -7.038 1.00 16.96 C ATOM 555 O ILE A 278 6.131 38.108 -6.206 1.00 13.66 O ATOM 556 CB ILE A 278 9.344 37.298 -6.533 1.00 14.89 C ATOM 557 CG1 ILE A 278 10.377 36.390 -5.863 1.00 18.02 C ATOM 558 CG2 ILE A 278 9.218 38.621 -5.789 1.00 11.60 C ATOM 559 CD1 ILE A 278 9.929 35.861 -4.514 1.00 15.79 C ATOM 560 H ILE A 278 8.911 35.241 -8.018 1.00 0.00 H ATOM 561 N GLN A 279 6.823 37.857 -8.341 1.00 18.17 N ATOM 562 CA GLN A 279 5.811 38.755 -8.905 1.00 19.19 C ATOM 563 C GLN A 279 4.408 38.269 -8.553 1.00 21.15 C ATOM 564 O GLN A 279 3.515 39.055 -8.279 1.00 15.27 O ATOM 565 CB GLN A 279 5.936 38.830 -10.426 1.00 23.11 C ATOM 566 CG GLN A 279 7.170 39.549 -10.948 1.00 33.51 C ATOM 567 CD GLN A 279 7.076 41.050 -10.837 1.00 47.11 C ATOM 568 OE1 GLN A 279 7.101 41.611 -9.741 1.00 51.79 O ATOM 569 NE2 GLN A 279 6.974 41.717 -11.979 1.00 53.88 N ATOM 570 HE22 GLN A 279 6.957 41.202 -12.882 1.00 0.00 H ATOM 571 HE21 GLN A 279 6.911 42.755 -11.971 1.00 0.00 H ATOM 572 H GLN A 279 7.512 37.412 -8.981 1.00 0.00 H ATOM 573 N ILE A 280 4.211 36.959 -8.566 1.00 12.01 N ATOM 574 CA ILE A 280 2.916 36.425 -8.169 1.00 16.15 C ATOM 575 C ILE A 280 2.554 36.808 -6.736 1.00 11.54 C ATOM 576 O ILE A 280 1.415 37.151 -6.456 1.00 12.56 O ATOM 577 CB ILE A 280 2.869 34.906 -8.335 1.00 13.41 C ATOM 578 CG1 ILE A 280 2.696 34.570 -9.813 1.00 15.78 C ATOM 579 CG2 ILE A 280 1.731 34.311 -7.512 1.00 14.18 C ATOM 580 CD1 ILE A 280 3.045 33.141 -10.122 1.00 11.48 C ATOM 581 H ILE A 280 4.975 36.317 -8.858 1.00 0.00 H ATOM 582 N THR A 281 3.526 36.764 -5.835 1.00 14.03 N ATOM 583 CA THR A 281 3.266 37.171 -4.452 1.00 16.72 C ATOM 584 C THR A 281 2.940 38.658 -4.336 1.00 17.89 C ATOM 585 O THR A 281 2.348 39.094 -3.350 1.00 23.05 O ATOM 586 CB THR A 281 4.437 36.846 -3.524 1.00 12.01 C ATOM 587 OG1 THR A 281 5.538 37.709 -3.825 1.00 16.83 O ATOM 588 CG2 THR A 281 4.848 35.398 -3.708 1.00 10.76 C ATOM 589 HG1 THR A 281 5.814 37.573 -4.766 1.00 0.00 H ATOM 590 H THR A 281 4.475 36.440 -6.111 1.00 0.00 H ATOM 591 N LYS A 282 3.309 39.433 -5.346 1.00 16.71 N ATOM 592 CA LYS A 282 3.076 40.878 -5.287 1.00 21.32 C ATOM 593 C LYS A 282 1.864 41.358 -6.104 1.00 19.90 C ATOM 594 O LYS A 282 1.339 42.460 -5.880 1.00 28.68 O ATOM 595 CB LYS A 282 4.359 41.618 -5.684 1.00 23.86 C ATOM 596 CG LYS A 282 5.459 41.512 -4.624 1.00 25.26 C ATOM 597 CD LYS A 282 6.792 42.040 -5.131 1.00 35.58 C ATOM 598 CE LYS A 282 7.736 42.390 -3.986 1.00 40.10 C ATOM 599 NZ LYS A 282 8.241 41.189 -3.268 1.00 40.29 N ATOM 600 HZ1 LYS A 282 7.438 40.662 -2.869 1.00 0.00 H ATOM 601 HZ2 LYS A 282 8.760 40.581 -3.934 1.00 0.00 H ATOM 602 HZ3 LYS A 282 8.877 41.487 -2.501 1.00 0.00 H ATOM 603 H LYS A 282 3.765 39.014 -6.182 1.00 0.00 H ATOM 604 N ARG A 283 1.424 40.537 -7.046 1.00 18.89 N ATOM 605 CA ARG A 283 0.373 40.911 -7.989 1.00 20.67 C ATOM 606 C ARG A 283 -0.955 40.217 -7.707 1.00 27.93 C ATOM 607 O ARG A 283 -2.021 40.771 -7.966 1.00 28.27 O ATOM 608 CB ARG A 283 0.816 40.590 -9.419 1.00 25.39 C ATOM 609 CG ARG A 283 1.796 41.600 -10.006 1.00 33.24 C ATOM 610 CD ARG A 283 2.448 41.048 -11.261 1.00 40.98 C ATOM 611 NE ARG A 283 3.150 42.080 -12.012 1.00 51.11 N ATOM 612 CZ ARG A 283 4.035 41.837 -12.973 1.00 57.67 C ATOM 613 NH1 ARG A 283 4.344 40.587 -13.299 1.00 54.96 N ATOM 614 NH2 ARG A 283 4.619 42.847 -13.605 1.00 63.82 N ATOM 615 HE ARG A 283 2.945 43.073 -11.781 1.00 0.00 H ATOM 616 HH12 ARG A 283 5.037 40.402 -14.052 1.00 0.00 H ATOM 617 HH11 ARG A 283 3.893 39.793 -12.801 1.00 0.00 H ATOM 618 HH22 ARG A 283 5.312 42.659 -14.357 1.00 0.00 H ATOM 619 HH21 ARG A 283 4.384 43.827 -13.348 1.00 0.00 H ATOM 620 H ARG A 283 1.844 39.588 -7.117 1.00 0.00 H ATOM 621 N VAL A 284 -0.891 38.995 -7.193 1.00 12.86 N ATOM 622 CA VAL A 284 -2.109 38.239 -6.915 1.00 15.04 C ATOM 623 C VAL A 284 -2.585 38.530 -5.499 1.00 16.59 C ATOM 624 O VAL A 284 -1.868 38.286 -4.533 1.00 14.08 O ATOM 625 CB VAL A 284 -1.884 36.743 -7.138 1.00 15.00 C ATOM 626 CG1 VAL A 284 -3.168 35.968 -6.902 1.00 15.79 C ATOM 627 CG2 VAL A 284 -1.357 36.517 -8.558 1.00 15.35 C ATOM 628 H VAL A 284 0.036 38.572 -6.986 1.00 0.00 H ATOM 629 N PRO A 285 -3.808 39.065 -5.376 1.00 17.05 N ATOM 630 CA PRO A 285 -4.240 39.697 -4.126 1.00 19.38 C ATOM 631 C PRO A 285 -4.290 38.774 -2.923 1.00 14.60 C ATOM 632 O PRO A 285 -4.171 39.275 -1.819 1.00 16.99 O ATOM 633 CB PRO A 285 -5.635 40.239 -4.463 1.00 21.11 C ATOM 634 CG PRO A 285 -5.630 40.372 -5.957 1.00 25.87 C ATOM 635 CD PRO A 285 -4.807 39.223 -6.446 1.00 25.75 C ATOM 636 N ILE A 286 -4.437 37.463 -3.101 1.00 17.82 N ATOM 637 CA ILE A 286 -4.424 36.581 -1.937 1.00 13.54 C ATOM 638 C ILE A 286 -3.082 36.551 -1.195 1.00 14.66 C ATOM 639 O ILE A 286 -3.026 36.135 -0.037 1.00 18.53 O ATOM 640 CB ILE A 286 -4.822 35.122 -2.274 1.00 20.67 C ATOM 641 CG1 ILE A 286 -3.785 34.489 -3.209 1.00 18.20 C ATOM 642 CG2 ILE A 286 -6.249 35.060 -2.843 1.00 20.10 C ATOM 643 CD1 ILE A 286 -3.960 32.998 -3.391 1.00 18.73 C ATOM 644 H ILE A 286 -4.560 37.072 -4.057 1.00 0.00 H ATOM 645 N PHE A 287 -2.006 36.969 -1.853 1.00 12.40 N ATOM 646 CA PHE A 287 -0.692 36.985 -1.210 1.00 12.08 C ATOM 647 C PHE A 287 -0.329 38.375 -0.670 1.00 16.11 C ATOM 648 O PHE A 287 0.612 38.532 0.114 1.00 13.33 O ATOM 649 CB PHE A 287 0.389 36.521 -2.190 1.00 11.58 C ATOM 650 CG PHE A 287 0.130 35.161 -2.749 1.00 12.64 C ATOM 651 CD1 PHE A 287 0.270 34.051 -1.949 1.00 17.45 C ATOM 652 CD2 PHE A 287 -0.284 34.996 -4.063 1.00 12.83 C ATOM 653 CE1 PHE A 287 0.005 32.793 -2.438 1.00 10.03 C ATOM 654 CE2 PHE A 287 -0.545 33.728 -4.574 1.00 12.72 C ATOM 655 CZ PHE A 287 -0.408 32.628 -3.757 1.00 12.13 C ATOM 656 H PHE A 287 -2.099 37.289 -2.838 1.00 0.00 H ATOM 657 N GLN A 288 -1.073 39.382 -1.094 1.00 18.19 N ATOM 658 CA GLN A 288 -0.719 40.749 -0.733 1.00 15.37 C ATOM 659 C GLN A 288 -0.901 41.003 0.759 1.00 18.94 C ATOM 660 O GLN A 288 -2.003 40.872 1.300 1.00 22.64 O ATOM 661 CB GLN A 288 -1.518 41.771 -1.567 1.00 23.67 C ATOM 662 CG GLN A 288 -0.970 41.966 -2.974 1.00 25.08 C ATOM 663 CD GLN A 288 -1.975 42.604 -3.929 1.00 27.45 C ATOM 664 OE1 GLN A 288 -3.054 43.048 -3.525 1.00 25.49 O ATOM 665 NE2 GLN A 288 -1.629 42.630 -5.206 1.00 31.12 N ATOM 666 HE22 GLN A 288 -0.710 42.245 -5.504 1.00 0.00 H ATOM 667 HE21 GLN A 288 -2.276 43.035 -5.912 1.00 0.00 H ATOM 668 H GLN A 288 -1.910 39.199 -1.684 1.00 0.00 H ATOM 669 N ASP A 289 0.199 41.365 1.415 1.00 19.06 N ATOM 670 CA ASP A 289 0.189 41.677 2.837 1.00 25.23 C ATOM 671 C ASP A 289 -0.276 40.475 3.661 1.00 18.75 C ATOM 672 O ASP A 289 -0.818 40.642 4.744 1.00 23.30 O ATOM 673 CB ASP A 289 -0.695 42.909 3.102 1.00 34.12 C ATOM 674 CG ASP A 289 -0.328 43.641 4.379 1.00 43.19 C ATOM 675 OD1 ASP A 289 0.779 43.411 4.912 1.00 48.86 O ATOM 676 OD2 ASP A 289 -1.146 44.465 4.841 1.00 44.59 O ATOM 677 H ASP A 289 1.097 41.427 0.894 1.00 0.00 H ATOM 678 N ALA A 290 -0.062 39.266 3.137 1.00 15.92 N ATOM 679 CA ALA A 290 -0.492 38.037 3.815 1.00 17.64 C ATOM 680 C ALA A 290 0.616 37.432 4.672 1.00 22.38 C ATOM 681 O ALA A 290 1.787 37.467 4.298 1.00 22.14 O ATOM 682 CB ALA A 290 -0.974 36.995 2.799 1.00 14.67 C ATOM 683 H ALA A 290 0.424 39.193 2.221 1.00 0.00 H ATOM 684 N ALA A 291 0.238 36.886 5.823 1.00 22.07 N ATOM 685 CA ALA A 291 1.160 36.118 6.653 1.00 21.83 C ATOM 686 C ALA A 291 1.504 34.798 5.947 1.00 18.47 C ATOM 687 O ALA A 291 0.691 34.266 5.195 1.00 22.13 O ATOM 688 CB ALA A 291 0.536 35.842 8.011 1.00 21.81 C ATOM 689 H ALA A 291 -0.744 37.010 6.142 1.00 0.00 H ATOM 690 N PRO A 292 2.723 34.282 6.170 1.00 13.92 N ATOM 691 CA PRO A 292 3.109 32.986 5.596 1.00 15.85 C ATOM 692 C PRO A 292 2.362 31.861 6.291 1.00 16.45 C ATOM 693 O PRO A 292 2.107 31.947 7.494 1.00 20.21 O ATOM 694 CB PRO A 292 4.611 32.887 5.901 1.00 14.20 C ATOM 695 CG PRO A 292 4.846 33.827 7.026 1.00 19.85 C ATOM 696 CD PRO A 292 3.829 34.923 6.902 1.00 17.99 C ATOM 697 N PRO A 293 2.007 30.820 5.537 1.00 15.26 N ATOM 698 CA PRO A 293 1.335 29.673 6.132 1.00 13.27 C ATOM 699 C PRO A 293 2.262 28.980 7.123 1.00 16.32 C ATOM 700 O PRO A 293 3.489 29.047 7.012 1.00 13.70 O ATOM 701 CB PRO A 293 1.056 28.775 4.927 1.00 15.40 C ATOM 702 CG PRO A 293 2.166 29.167 3.922 1.00 12.20 C ATOM 703 CD PRO A 293 2.296 30.631 4.102 1.00 14.50 C ATOM 704 N VAL A 294 1.657 28.342 8.116 1.00 16.30 N ATOM 705 CA VAL A 294 2.388 27.540 9.083 1.00 15.78 C ATOM 706 C VAL A 294 2.318 26.090 8.620 1.00 17.31 C ATOM 707 O VAL A 294 1.243 25.588 8.280 1.00 19.60 O ATOM 708 CB VAL A 294 1.762 27.682 10.493 1.00 17.12 C ATOM 709 CG1 VAL A 294 2.366 26.683 11.456 1.00 22.11 C ATOM 710 CG2 VAL A 294 1.950 29.121 11.013 1.00 17.32 C ATOM 711 H VAL A 294 0.624 28.418 8.206 1.00 0.00 H ATOM 712 N ILE A 295 3.465 25.427 8.578 1.00 17.14 N ATOM 713 CA ILE A 295 3.513 24.022 8.190 1.00 16.66 C ATOM 714 C ILE A 295 4.128 23.223 9.322 1.00 18.08 C ATOM 715 O ILE A 295 5.275 23.449 9.696 1.00 18.23 O ATOM 716 CB ILE A 295 4.356 23.816 6.913 1.00 16.30 C ATOM 717 CG1 ILE A 295 3.781 24.645 5.760 1.00 15.85 C ATOM 718 CG2 ILE A 295 4.405 22.347 6.526 1.00 16.75 C ATOM 719 CD1 ILE A 295 4.527 24.474 4.443 1.00 14.46 C ATOM 720 H ILE A 295 4.347 25.918 8.826 1.00 0.00 H ATOM 721 N HIS A 296 3.366 22.280 9.865 1.00 19.38 N ATOM 722 CA HIS A 296 3.859 21.472 10.973 1.00 24.41 C ATOM 723 C HIS A 296 4.699 20.310 10.465 1.00 21.69 C ATOM 724 O HIS A 296 4.266 19.572 9.588 1.00 21.83 O ATOM 725 CB HIS A 296 2.705 20.960 11.830 1.00 26.09 C ATOM 726 CG HIS A 296 2.183 21.977 12.792 1.00 32.59 C ATOM 727 ND1 HIS A 296 1.194 22.879 12.461 1.00 35.00 N ATOM 728 CD2 HIS A 296 2.534 22.252 14.071 1.00 34.49 C ATOM 729 CE1 HIS A 296 0.950 23.661 13.499 1.00 35.23 C ATOM 730 NE2 HIS A 296 1.752 23.304 14.486 1.00 38.62 N ATOM 731 H HIS A 296 2.408 22.117 9.496 1.00 0.00 H ATOM 732 N ILE A 297 5.906 20.178 11.010 1.00 22.33 N ATOM 733 CA ILE A 297 6.797 19.054 10.720 1.00 23.42 C ATOM 734 C ILE A 297 7.396 18.495 12.011 1.00 25.36 C ATOM 735 O ILE A 297 7.265 19.093 13.080 1.00 25.70 O ATOM 736 CB ILE A 297 7.961 19.477 9.799 1.00 22.36 C ATOM 737 CG1 ILE A 297 8.764 20.610 10.456 1.00 21.97 C ATOM 738 CG2 ILE A 297 7.436 19.891 8.429 1.00 23.08 C ATOM 739 CD1 ILE A 297 9.888 21.167 9.581 1.00 21.13 C ATOM 740 H ILE A 297 6.232 20.909 11.674 1.00 0.00 H ATOM 741 N ARG A 298 8.068 17.353 11.901 1.00 27.39 N ATOM 742 CA ARG A 298 8.710 16.716 13.049 1.00 34.10 C ATOM 743 C ARG A 298 10.028 17.402 13.383 1.00 35.11 C ATOM 744 O ARG A 298 10.244 17.858 14.508 1.00 33.08 O ATOM 745 CB ARG A 298 8.982 15.237 12.767 1.00 40.85 C ATOM 746 CG ARG A 298 7.927 14.271 13.281 1.00 54.63 C ATOM 747 CD ARG A 298 8.323 12.828 12.982 1.00 65.57 C ATOM 748 NE ARG A 298 8.573 12.632 11.554 1.00 72.59 N ATOM 749 CZ ARG A 298 9.635 12.009 11.052 1.00 75.42 C ATOM 750 NH1 ARG A 298 10.558 11.507 11.863 1.00 77.00 N ATOM 751 NH2 ARG A 298 9.773 11.889 9.736 1.00 74.55 N ATOM 752 HE ARG A 298 7.871 13.006 10.884 1.00 0.00 H ATOM 753 HH12 ARG A 298 11.388 11.020 11.468 1.00 0.00 H ATOM 754 HH11 ARG A 298 10.451 11.601 12.893 1.00 0.00 H ATOM 755 HH22 ARG A 298 10.603 11.402 9.342 1.00 0.00 H ATOM 756 HH21 ARG A 298 9.051 12.282 9.099 1.00 0.00 H ATOM 757 H ARG A 298 8.139 16.899 10.968 1.00 0.00 H ATOM 758 N SER A 299 10.920 17.468 12.400 1.00 33.76 N ATOM 759 CA SER A 299 12.242 18.027 12.641 1.00 35.06 C ATOM 760 C SER A 299 12.785 18.725 11.407 1.00 32.62 C ATOM 761 O SER A 299 12.184 18.677 10.337 1.00 30.01 O ATOM 762 CB SER A 299 13.215 16.929 13.073 1.00 34.54 C ATOM 763 OG SER A 299 13.514 16.085 11.975 1.00 36.14 O ATOM 764 HG SER A 299 14.144 15.379 12.265 1.00 0.00 H ATOM 765 H SER A 299 10.672 17.118 11.453 1.00 0.00 H ATOM 766 N ARG A 300 13.935 19.368 11.573 1.00 36.65 N ATOM 767 CA ARG A 300 14.600 20.088 10.497 1.00 36.64 C ATOM 768 C ARG A 300 14.933 19.152 9.332 1.00 32.16 C ATOM 769 O ARG A 300 15.060 19.589 8.190 1.00 29.97 O ATOM 770 CB ARG A 300 15.868 20.763 11.035 1.00 40.26 C ATOM 771 CG ARG A 300 16.243 22.047 10.329 1.00 41.60 C ATOM 772 CD ARG A 300 17.353 22.783 11.055 1.00 45.48 C ATOM 773 NE ARG A 300 18.075 23.672 10.152 1.00 52.01 N ATOM 774 CZ ARG A 300 18.648 24.814 10.520 1.00 59.09 C ATOM 775 NH1 ARG A 300 18.583 25.218 11.781 1.00 60.50 N ATOM 776 NH2 ARG A 300 19.285 25.555 9.623 1.00 61.40 N ATOM 777 HE ARG A 300 18.147 23.394 9.152 1.00 0.00 H ATOM 778 HH12 ARG A 300 19.033 26.112 12.064 1.00 0.00 H ATOM 779 HH11 ARG A 300 18.082 24.641 12.487 1.00 0.00 H ATOM 780 HH22 ARG A 300 19.733 26.448 9.910 1.00 0.00 H ATOM 781 HH21 ARG A 300 19.336 25.243 8.632 1.00 0.00 H ATOM 782 H ARG A 300 14.380 19.357 12.513 1.00 0.00 H ATOM 783 N GLY A 301 15.055 17.860 9.626 1.00 35.35 N ATOM 784 CA GLY A 301 15.317 16.859 8.607 1.00 32.85 C ATOM 785 C GLY A 301 14.201 16.678 7.588 1.00 32.99 C ATOM 786 O GLY A 301 14.424 16.099 6.529 1.00 33.13 O ATOM 787 H GLY A 301 14.960 17.558 10.616 1.00 0.00 H ATOM 788 N ASP A 302 13.002 17.169 7.899 1.00 30.17 N ATOM 789 CA ASP A 302 11.865 17.085 6.979 1.00 27.84 C ATOM 790 C ASP A 302 11.888 18.210 5.942 1.00 29.43 C ATOM 791 O ASP A 302 11.064 18.249 5.028 1.00 29.35 O ATOM 792 CB ASP A 302 10.546 17.125 7.753 1.00 27.53 C ATOM 793 CG ASP A 302 10.398 15.953 8.712 1.00 39.14 C ATOM 794 OD1 ASP A 302 10.847 14.841 8.362 1.00 42.33 O ATOM 795 OD2 ASP A 302 9.839 16.145 9.812 1.00 42.29 O ATOM 796 H ASP A 302 12.869 17.626 8.824 1.00 0.00 H ATOM 797 N ILE A 303 12.824 19.136 6.108 1.00 30.99 N ATOM 798 CA ILE A 303 13.005 20.239 5.171 1.00 21.75 C ATOM 799 C ILE A 303 14.123 19.849 4.205 1.00 22.48 C ATOM 800 O ILE A 303 15.134 19.295 4.626 1.00 23.09 O ATOM 801 CB ILE A 303 13.360 21.531 5.929 1.00 23.69 C ATOM 802 CG1 ILE A 303 12.205 21.925 6.853 1.00 23.32 C ATOM 803 CG2 ILE A 303 13.656 22.666 4.965 1.00 18.97 C ATOM 804 CD1 ILE A 303 12.579 22.964 7.904 1.00 19.92 C ATOM 805 H ILE A 303 13.451 19.073 6.936 1.00 0.00 H ATOM 806 N PRO A 304 13.936 20.106 2.900 1.00 27.52 N ATOM 807 CA PRO A 304 14.967 19.717 1.930 1.00 29.52 C ATOM 808 C PRO A 304 16.324 20.363 2.221 1.00 26.13 C ATOM 809 O PRO A 304 16.379 21.468 2.751 1.00 21.27 O ATOM 810 CB PRO A 304 14.412 20.238 0.599 1.00 28.15 C ATOM 811 CG PRO A 304 12.936 20.286 0.797 1.00 24.21 C ATOM 812 CD PRO A 304 12.737 20.659 2.244 1.00 24.65 C ATOM 813 N ARG A 305 17.394 19.662 1.865 1.00 21.85 N ATOM 814 CA ARG A 305 18.766 20.122 2.054 1.00 21.97 C ATOM 815 C ARG A 305 18.998 21.509 1.445 1.00 25.10 C ATOM 816 O ARG A 305 19.655 22.357 2.048 1.00 22.28 O ATOM 817 CB ARG A 305 19.723 19.100 1.438 1.00 28.51 C ATOM 818 CG ARG A 305 21.203 19.391 1.594 1.00 35.33 C ATOM 819 CD ARG A 305 22.040 18.192 1.119 1.00 45.64 C ATOM 820 NE ARG A 305 23.470 18.489 1.095 1.00 49.54 N ATOM 821 CZ ARG A 305 24.411 17.649 0.670 1.00 56.39 C ATOM 822 NH1 ARG A 305 24.087 16.436 0.228 1.00 56.49 N ATOM 823 NH2 ARG A 305 25.684 18.023 0.687 1.00 57.19 N ATOM 824 HE ARG A 305 23.775 19.424 1.434 1.00 0.00 H ATOM 825 HH12 ARG A 305 24.830 15.787 -0.102 1.00 0.00 H ATOM 826 HH11 ARG A 305 23.091 16.137 0.213 1.00 0.00 H ATOM 827 HH22 ARG A 305 26.422 17.370 0.356 1.00 0.00 H ATOM 828 HH21 ARG A 305 25.943 18.969 1.032 1.00 0.00 H ATOM 829 H ARG A 305 17.246 18.731 1.426 1.00 0.00 H ATOM 830 N ALA A 306 18.449 21.740 0.255 1.00 20.48 N ATOM 831 CA ALA A 306 18.681 23.001 -0.442 1.00 16.51 C ATOM 832 C ALA A 306 17.917 24.183 0.171 1.00 17.67 C ATOM 833 O ALA A 306 18.144 25.338 -0.204 1.00 22.43 O ATOM 834 CB ALA A 306 18.380 22.858 -1.939 1.00 18.02 C ATOM 835 H ALA A 306 17.848 21.013 -0.183 1.00 0.00 H ATOM 836 N CYS A 307 17.017 23.896 1.108 1.00 15.13 N ATOM 837 CA CYS A 307 16.327 24.946 1.853 1.00 13.97 C ATOM 838 C CYS A 307 17.007 25.302 3.162 1.00 15.63 C ATOM 839 O CYS A 307 16.708 26.348 3.731 1.00 18.08 O ATOM 840 CB CYS A 307 14.889 24.540 2.191 1.00 15.52 C ATOM 841 SG CYS A 307 13.725 24.755 0.872 1.00 16.53 S ATOM 842 H CYS A 307 16.800 22.900 1.315 1.00 0.00 H ATOM 843 N GLN A 308 17.901 24.438 3.638 1.00 13.62 N ATOM 844 CA GLN A 308 18.417 24.532 5.013 1.00 16.24 C ATOM 845 C GLN A 308 19.033 25.899 5.358 1.00 16.09 C ATOM 846 O GLN A 308 18.796 26.440 6.435 1.00 15.15 O ATOM 847 CB GLN A 308 19.424 23.408 5.297 1.00 17.41 C ATOM 848 CG GLN A 308 18.826 21.989 5.384 1.00 19.57 C ATOM 849 CD GLN A 308 17.909 21.787 6.587 1.00 23.86 C ATOM 850 OE1 GLN A 308 18.108 22.377 7.648 1.00 26.82 O ATOM 851 NE2 GLN A 308 16.895 20.949 6.419 1.00 23.67 N ATOM 852 HE22 GLN A 308 16.762 20.470 5.505 1.00 0.00 H ATOM 853 HE21 GLN A 308 16.233 20.771 7.201 1.00 0.00 H ATOM 854 H GLN A 308 18.245 23.675 3.021 1.00 0.00 H ATOM 855 N LYS A 309 19.814 26.454 4.441 1.00 14.71 N ATOM 856 CA LYS A 309 20.479 27.735 4.689 1.00 16.25 C ATOM 857 C LYS A 309 19.545 28.940 4.560 1.00 17.23 C ATOM 858 O LYS A 309 19.928 30.067 4.869 1.00 19.01 O ATOM 859 CB LYS A 309 21.682 27.904 3.757 1.00 14.81 C ATOM 860 CG LYS A 309 22.876 27.054 4.180 1.00 16.40 C ATOM 861 CD LYS A 309 24.049 27.276 3.231 1.00 21.94 C ATOM 862 CE LYS A 309 25.210 26.352 3.573 1.00 31.06 C ATOM 863 NZ LYS A 309 24.798 24.927 3.572 1.00 33.64 N ATOM 864 HZ1 LYS A 309 24.047 24.784 4.277 1.00 0.00 H ATOM 865 HZ2 LYS A 309 24.443 24.671 2.629 1.00 0.00 H ATOM 866 HZ3 LYS A 309 25.616 24.331 3.809 1.00 0.00 H ATOM 867 H LYS A 309 19.957 25.972 3.531 1.00 0.00 H ATOM 868 N SER A 310 18.327 28.699 4.092 1.00 12.68 N ATOM 869 CA SER A 310 17.348 29.767 3.958 1.00 14.03 C ATOM 870 C SER A 310 16.426 29.854 5.177 1.00 15.99 C ATOM 871 O SER A 310 15.538 30.706 5.221 1.00 16.19 O ATOM 872 CB SER A 310 16.521 29.569 2.677 1.00 17.76 C ATOM 873 OG SER A 310 17.322 29.697 1.509 1.00 21.11 O ATOM 874 HG SER A 310 16.757 29.564 0.707 1.00 0.00 H ATOM 875 H SER A 310 18.068 27.730 3.816 1.00 0.00 H ATOM 876 N LEU A 311 16.626 28.964 6.146 1.00 11.34 N ATOM 877 CA LEU A 311 15.814 28.942 7.369 1.00 11.56 C ATOM 878 C LEU A 311 16.331 29.962 8.361 1.00 17.32 C ATOM 879 O LEU A 311 17.540 30.077 8.563 1.00 17.83 O ATOM 880 CB LEU A 311 15.861 27.566 8.025 1.00 11.91 C ATOM 881 CG LEU A 311 15.243 26.498 7.139 1.00 11.77 C ATOM 882 CD1 LEU A 311 15.436 25.156 7.803 1.00 15.54 C ATOM 883 CD2 LEU A 311 13.763 26.800 6.922 1.00 11.04 C ATOM 884 H LEU A 311 17.383 28.260 6.033 1.00 0.00 H ATOM 885 N ARG A 312 15.411 30.704 8.971 1.00 11.59 N ATOM 886 CA ARG A 312 15.783 31.811 9.847 1.00 12.28 C ATOM 887 C ARG A 312 14.855 31.867 11.041 1.00 12.48 C ATOM 888 O ARG A 312 13.750 31.328 10.990 1.00 15.05 O ATOM 889 CB ARG A 312 15.649 33.137 9.091 1.00 12.19 C ATOM 890 CG ARG A 312 16.400 33.187 7.772 1.00 16.02 C ATOM 891 CD ARG A 312 17.904 33.320 7.988 1.00 15.40 C ATOM 892 NE ARG A 312 18.635 32.841 6.816 1.00 18.65 N ATOM 893 CZ ARG A 312 18.725 33.497 5.660 1.00 21.17 C ATOM 894 NH1 ARG A 312 18.139 34.687 5.507 1.00 13.91 N ATOM 895 NH2 ARG A 312 19.400 32.961 4.650 1.00 18.07 N ATOM 896 HE ARG A 312 19.119 31.923 6.890 1.00 0.00 H ATOM 897 HH12 ARG A 312 18.215 35.191 4.601 1.00 0.00 H ATOM 898 HH11 ARG A 312 17.607 35.110 6.294 1.00 0.00 H ATOM 899 HH22 ARG A 312 19.473 33.469 3.746 1.00 0.00 H ATOM 900 HH21 ARG A 312 19.856 32.033 4.763 1.00 0.00 H ATOM 901 H ARG A 312 14.404 30.491 8.821 1.00 0.00 H ATOM 902 N PRO A 313 15.290 32.538 12.116 1.00 13.45 N ATOM 903 CA PRO A 313 14.347 32.834 13.198 1.00 15.64 C ATOM 904 C PRO A 313 13.179 33.643 12.647 1.00 19.95 C ATOM 905 O PRO A 313 13.383 34.509 11.787 1.00 15.98 O ATOM 906 CB PRO A 313 15.178 33.694 14.153 1.00 17.57 C ATOM 907 CG PRO A 313 16.591 33.221 13.929 1.00 17.54 C ATOM 908 CD PRO A 313 16.676 32.895 12.462 1.00 14.52 C ATOM 909 N VAL A 314 11.971 33.353 13.118 1.00 16.74 N ATOM 910 CA VAL A 314 10.783 34.067 12.646 1.00 18.20 C ATOM 911 C VAL A 314 10.725 35.484 13.207 1.00 20.14 C ATOM 912 O VAL A 314 10.763 35.668 14.424 1.00 20.75 O ATOM 913 CB VAL A 314 9.503 33.328 13.045 1.00 20.86 C ATOM 914 CG1 VAL A 314 8.282 34.027 12.464 1.00 25.35 C ATOM 915 CG2 VAL A 314 9.572 31.895 12.567 1.00 18.36 C ATOM 916 H VAL A 314 11.867 32.606 13.834 1.00 0.00 H ATOM 917 N PRO A 315 10.611 36.496 12.324 1.00 19.94 N ATOM 918 CA PRO A 315 10.519 37.893 12.771 1.00 23.22 C ATOM 919 C PRO A 315 9.117 38.213 13.310 1.00 24.01 C ATOM 920 O PRO A 315 8.245 37.349 13.241 1.00 16.09 O ATOM 921 CB PRO A 315 10.793 38.673 11.479 1.00 21.27 C ATOM 922 CG PRO A 315 10.229 37.833 10.423 1.00 18.23 C ATOM 923 CD PRO A 315 10.507 36.392 10.857 1.00 15.67 C ATOM 924 N PRO A 316 8.998 39.421 13.904 1.00 26.95 N ATOM 925 CA PRO A 316 7.825 40.256 14.164 1.00 28.08 C ATOM 926 C PRO A 316 7.249 40.768 12.856 1.00 30.81 C ATOM 927 O PRO A 316 7.632 41.806 12.315 1.00 36.94 O ATOM 928 CB PRO A 316 8.391 41.428 14.973 1.00 28.61 C ATOM 929 CG PRO A 316 9.604 40.897 15.602 1.00 28.03 C ATOM 930 CD PRO A 316 10.188 39.967 14.585 1.00 28.45 C ATOM 931 N SER A 317 6.387 39.919 12.334 1.00 24.78 N ATOM 932 CA SER A 317 5.304 40.186 11.374 1.00 31.24 C ATOM 933 C SER A 317 5.727 39.760 9.979 1.00 22.02 C ATOM 934 O SER A 317 5.745 40.574 9.057 1.00 23.53 O ATOM 935 CB SER A 317 4.858 41.654 11.350 1.00 34.53 C ATOM 936 OG SER A 317 4.097 41.986 12.498 1.00 41.16 O ATOM 937 HG SER A 317 3.827 42.937 12.450 1.00 0.00 H ATOM 938 H SER A 317 6.485 38.930 12.641 1.00 0.00 H ATOM 939 N PRO A 318 6.073 38.478 9.818 1.00 21.65 N ATOM 940 CA PRO A 318 6.535 38.065 8.494 1.00 19.54 C ATOM 941 C PRO A 318 5.410 38.170 7.463 1.00 18.04 C ATOM 942 O PRO A 318 4.256 37.906 7.801 1.00 17.07 O ATOM 943 CB PRO A 318 6.945 36.602 8.712 1.00 17.87 C ATOM 944 CG PRO A 318 6.075 36.134 9.826 1.00 18.29 C ATOM 945 CD PRO A 318 5.913 37.336 10.736 1.00 21.51 C ATOM 946 N LYS A 319 5.748 38.558 6.235 1.00 14.90 N ATOM 947 CA LYS A 319 4.783 38.630 5.146 1.00 15.35 C ATOM 948 C LYS A 319 5.331 37.889 3.923 1.00 15.96 C ATOM 949 O LYS A 319 6.521 37.993 3.603 1.00 13.87 O ATOM 950 CB LYS A 319 4.504 40.084 4.782 1.00 17.09 C ATOM 951 CG LYS A 319 3.909 40.915 5.928 1.00 18.55 C ATOM 952 CD LYS A 319 2.485 40.455 6.212 1.00 23.91 C ATOM 953 CE LYS A 319 1.862 41.165 7.411 1.00 31.29 C ATOM 954 NZ LYS A 319 1.482 42.557 7.086 1.00 35.15 N ATOM 955 HZ1 LYS A 319 2.328 43.087 6.794 1.00 0.00 H ATOM 956 HZ2 LYS A 319 0.789 42.554 6.310 1.00 0.00 H ATOM 957 HZ3 LYS A 319 1.063 43.006 7.925 1.00 0.00 H ATOM 958 H LYS A 319 6.737 38.819 6.046 1.00 0.00 H ATOM 959 N ILE A 320 4.458 37.150 3.240 1.00 17.98 N ATOM 960 CA ILE A 320 4.844 36.391 2.049 1.00 13.49 C ATOM 961 C ILE A 320 5.433 37.323 0.985 1.00 14.99 C ATOM 962 O ILE A 320 6.461 37.029 0.378 1.00 16.43 O ATOM 963 CB ILE A 320 3.635 35.650 1.437 1.00 13.84 C ATOM 964 CG1 ILE A 320 3.041 34.652 2.442 1.00 13.51 C ATOM 965 CG2 ILE A 320 4.034 34.969 0.122 1.00 21.97 C ATOM 966 CD1 ILE A 320 1.831 33.868 1.911 1.00 14.16 C ATOM 967 H ILE A 320 3.470 37.111 3.563 1.00 0.00 H ATOM 968 N ASP A 321 4.783 38.457 0.772 1.00 17.39 N ATOM 969 CA ASP A 321 5.210 39.388 -0.271 1.00 20.02 C ATOM 970 C ASP A 321 6.468 40.198 0.084 1.00 21.34 C ATOM 971 O ASP A 321 6.887 41.083 -0.675 1.00 19.72 O ATOM 972 CB ASP A 321 4.050 40.291 -0.708 1.00 21.02 C ATOM 973 CG ASP A 321 3.602 41.259 0.375 1.00 27.70 C ATOM 974 OD1 ASP A 321 4.057 41.138 1.535 1.00 30.45 O ATOM 975 OD2 ASP A 321 2.753 42.124 0.067 1.00 27.22 O ATOM 976 H ASP A 321 3.955 38.689 1.357 1.00 0.00 H ATOM 977 N ARG A 322 7.058 39.885 1.235 1.00 19.04 N ATOM 978 CA ARG A 322 8.369 40.412 1.617 1.00 17.14 C ATOM 979 C ARG A 322 9.370 39.258 1.743 1.00 17.44 C ATOM 980 O ARG A 322 10.464 39.427 2.277 1.00 17.83 O ATOM 981 CB ARG A 322 8.287 41.195 2.930 1.00 16.88 C ATOM 982 CG ARG A 322 7.688 42.621 2.772 1.00 29.60 C ATOM 983 CD ARG A 322 6.892 43.052 4.003 1.00 38.33 C ATOM 984 NE ARG A 322 6.279 44.380 3.860 1.00 49.64 N ATOM 985 CZ ARG A 322 5.001 44.608 3.549 1.00 50.82 C ATOM 986 NH1 ARG A 322 4.156 43.598 3.337 1.00 36.06 N ATOM 987 NH2 ARG A 322 4.564 45.861 3.449 1.00 58.45 N ATOM 988 HE ARG A 322 6.889 45.208 4.013 1.00 0.00 H ATOM 989 HH12 ARG A 322 3.163 43.792 3.096 1.00 0.00 H ATOM 990 HH11 ARG A 322 4.490 42.616 3.413 1.00 0.00 H ATOM 991 HH22 ARG A 322 3.570 46.047 3.207 1.00 0.00 H ATOM 992 HH21 ARG A 322 5.217 46.654 3.613 1.00 0.00 H ATOM 993 H ARG A 322 6.569 39.241 1.889 1.00 0.00 H ATOM 994 N GLY A 323 8.997 38.084 1.244 1.00 15.65 N ATOM 995 CA GLY A 323 9.961 37.005 1.104 1.00 16.11 C ATOM 996 C GLY A 323 9.862 35.885 2.117 1.00 18.10 C ATOM 997 O GLY A 323 10.624 34.922 2.044 1.00 17.48 O ATOM 998 H GLY A 323 8.010 37.936 0.952 1.00 0.00 H ATOM 999 N TRP A 324 8.940 36.000 3.066 1.00 15.60 N ATOM 1000 CA TRP A 324 8.738 34.925 4.035 1.00 13.61 C ATOM 1001 C TRP A 324 7.764 33.890 3.495 1.00 14.01 C ATOM 1002 O TRP A 324 6.539 34.055 3.556 1.00 14.17 O ATOM 1003 CB TRP A 324 8.298 35.483 5.384 1.00 14.39 C ATOM 1004 CG TRP A 324 9.378 36.316 5.970 1.00 12.14 C ATOM 1005 CD1 TRP A 324 9.529 37.668 5.850 1.00 15.35 C ATOM 1006 CD2 TRP A 324 10.506 35.850 6.722 1.00 14.87 C ATOM 1007 NE1 TRP A 324 10.671 38.074 6.495 1.00 16.43 N ATOM 1008 CE2 TRP A 324 11.290 36.981 7.039 1.00 17.67 C ATOM 1009 CE3 TRP A 324 10.927 34.591 7.160 1.00 15.52 C ATOM 1010 CZ2 TRP A 324 12.470 36.890 7.784 1.00 18.35 C ATOM 1011 CZ3 TRP A 324 12.098 34.503 7.910 1.00 15.76 C ATOM 1012 CH2 TRP A 324 12.855 35.645 8.209 1.00 18.95 C ATOM 1013 HE1 TRP A 324 11.011 39.055 6.560 1.00 0.00 H ATOM 1014 H TRP A 324 8.358 36.860 3.120 1.00 0.00 H ATOM 1015 N VAL A 325 8.335 32.831 2.934 1.00 10.09 N ATOM 1016 CA VAL A 325 7.570 31.814 2.202 1.00 10.12 C ATOM 1017 C VAL A 325 6.623 30.998 3.084 1.00 10.28 C ATOM 1018 O VAL A 325 5.453 30.780 2.745 1.00 12.93 O ATOM 1019 CB VAL A 325 8.533 30.853 1.493 1.00 9.80 C ATOM 1020 CG1 VAL A 325 7.776 29.720 0.804 1.00 10.96 C ATOM 1021 CG2 VAL A 325 9.400 31.619 0.487 1.00 9.85 C ATOM 1022 H VAL A 325 9.365 32.717 3.016 1.00 0.00 H ATOM 1023 N CYS A 326 7.131 30.534 4.216 1.00 10.06 N ATOM 1024 CA CYS A 326 6.303 29.762 5.123 1.00 10.42 C ATOM 1025 C CYS A 326 6.984 29.724 6.468 1.00 15.53 C ATOM 1026 O CYS A 326 8.117 30.175 6.605 1.00 13.36 O ATOM 1027 CB CYS A 326 6.077 28.340 4.596 1.00 10.69 C ATOM 1028 SG CYS A 326 7.610 27.405 4.318 1.00 16.34 S ATOM 1029 H CYS A 326 8.125 30.724 4.455 1.00 0.00 H ATOM 1030 N VAL A 327 6.274 29.196 7.459 1.00 15.16 N ATOM 1031 CA VAL A 327 6.831 29.023 8.786 1.00 14.24 C ATOM 1032 C VAL A 327 6.714 27.546 9.118 1.00 17.59 C ATOM 1033 O VAL A 327 5.618 26.980 9.120 1.00 20.52 O ATOM 1034 CB VAL A 327 6.083 29.885 9.833 1.00 14.86 C ATOM 1035 CG1 VAL A 327 6.434 29.439 11.251 1.00 15.85 C ATOM 1036 CG2 VAL A 327 6.424 31.347 9.645 1.00 13.22 C ATOM 1037 H VAL A 327 5.294 28.899 7.278 1.00 0.00 H ATOM 1038 N PHE A 328 7.851 26.911 9.352 1.00 12.79 N ATOM 1039 CA PHE A 328 7.852 25.527 9.791 1.00 14.34 C ATOM 1040 C PHE A 328 7.751 25.490 11.310 1.00 18.12 C ATOM 1041 O PHE A 328 8.513 26.157 12.006 1.00 18.37 O ATOM 1042 CB PHE A 328 9.117 24.814 9.315 1.00 14.31 C ATOM 1043 CG PHE A 328 9.179 24.637 7.817 1.00 17.21 C ATOM 1044 CD1 PHE A 328 10.093 25.352 7.047 1.00 11.36 C ATOM 1045 CD2 PHE A 328 8.306 23.768 7.181 1.00 15.96 C ATOM 1046 CE1 PHE A 328 10.148 25.181 5.666 1.00 11.19 C ATOM 1047 CE2 PHE A 328 8.352 23.598 5.800 1.00 14.77 C ATOM 1048 CZ PHE A 328 9.271 24.306 5.047 1.00 15.34 C ATOM 1049 H PHE A 328 8.754 27.409 9.220 1.00 0.00 H ATOM 1050 N GLN A 329 6.790 24.725 11.813 1.00 18.11 N ATOM 1051 CA GLN A 329 6.627 24.541 13.249 1.00 20.33 C ATOM 1052 C GLN A 329 7.052 23.124 13.581 1.00 24.02 C ATOM 1053 O GLN A 329 6.413 22.153 13.147 1.00 22.25 O ATOM 1054 CB GLN A 329 5.172 24.772 13.665 1.00 21.05 C ATOM 1055 CG GLN A 329 4.902 24.449 15.120 1.00 31.42 C ATOM 1056 CD GLN A 329 5.530 25.452 16.041 1.00 36.83 C ATOM 1057 OE1 GLN A 329 5.686 26.616 15.676 1.00 42.10 O ATOM 1058 NE2 GLN A 329 5.900 25.017 17.242 1.00 36.69 N ATOM 1059 HE22 GLN A 329 5.747 24.022 17.505 1.00 0.00 H ATOM 1060 HE21 GLN A 329 6.342 25.671 17.919 1.00 0.00 H ATOM 1061 H GLN A 329 6.135 24.244 11.164 1.00 0.00 H ATOM 1062 N LEU A 330 8.146 23.001 14.325 1.00 21.50 N ATOM 1063 CA LEU A 330 8.698 21.687 14.641 1.00 24.66 C ATOM 1064 C LEU A 330 8.000 21.100 15.865 1.00 26.45 C ATOM 1065 O LEU A 330 7.448 21.832 16.691 1.00 27.93 O ATOM 1066 CB LEU A 330 10.213 21.751 14.866 1.00 26.39 C ATOM 1067 CG LEU A 330 11.156 21.892 13.666 1.00 25.69 C ATOM 1068 CD1 LEU A 330 10.922 23.171 12.874 1.00 19.68 C ATOM 1069 CD2 LEU A 330 12.611 21.814 14.111 1.00 24.75 C ATOM 1070 H LEU A 330 8.617 23.854 14.688 1.00 0.00 H ATOM 1071 N GLN A 331 8.026 19.777 15.973 1.00 30.18 N ATOM 1072 CA GLN A 331 7.313 19.080 17.046 1.00 37.21 C ATOM 1073 C GLN A 331 7.674 19.554 18.460 1.00 36.47 C ATOM 1074 O GLN A 331 6.814 19.598 19.341 1.00 39.29 O ATOM 1075 CB GLN A 331 7.524 17.573 16.929 1.00 43.20 C ATOM 1076 CG GLN A 331 8.948 17.107 17.203 1.00 54.63 C ATOM 1077 CD GLN A 331 9.131 15.621 16.946 1.00 63.89 C ATOM 1078 OE1 GLN A 331 8.223 14.953 16.449 1.00 66.99 O ATOM 1079 NE2 GLN A 331 10.310 15.097 17.281 1.00 65.13 N ATOM 1080 HE22 GLN A 331 11.047 15.700 17.698 1.00 0.00 H ATOM 1081 HE21 GLN A 331 10.492 14.085 17.125 1.00 0.00 H ATOM 1082 H GLN A 331 8.566 19.222 15.279 1.00 0.00 H ATOM 1083 N ASP A 332 8.932 19.918 18.678 1.00 28.00 N ATOM 1084 CA ASP A 332 9.367 20.288 20.022 1.00 35.55 C ATOM 1085 C ASP A 332 9.152 21.768 20.309 1.00 34.22 C ATOM 1086 O ASP A 332 9.628 22.287 21.317 1.00 34.05 O ATOM 1087 CB ASP A 332 10.828 19.888 20.259 1.00 37.46 C ATOM 1088 CG ASP A 332 11.806 20.689 19.418 1.00 39.20 C ATOM 1089 OD1 ASP A 332 11.379 21.348 18.443 1.00 31.45 O ATOM 1090 OD2 ASP A 332 13.016 20.655 19.734 1.00 44.92 O ATOM 1091 H ASP A 332 9.610 19.940 17.889 1.00 0.00 H ATOM 1092 N GLY A 333 8.446 22.448 19.410 1.00 28.35 N ATOM 1093 CA GLY A 333 8.108 23.839 19.621 1.00 25.19 C ATOM 1094 C GLY A 333 8.977 24.830 18.864 1.00 25.55 C ATOM 1095 O GLY A 333 8.634 26.010 18.779 1.00 24.62 O ATOM 1096 H GLY A 333 8.132 21.972 18.541 1.00 0.00 H ATOM 1097 N LYS A 334 10.104 24.363 18.332 1.00 18.86 N ATOM 1098 CA LYS A 334 10.974 25.207 17.513 1.00 17.63 C ATOM 1099 C LYS A 334 10.206 25.712 16.299 1.00 16.17 C ATOM 1100 O LYS A 334 9.350 25.015 15.758 1.00 21.22 O ATOM 1101 CB LYS A 334 12.214 24.432 17.051 1.00 19.84 C ATOM 1102 CG LYS A 334 13.263 24.206 18.133 1.00 26.00 C ATOM 1103 CD LYS A 334 14.258 23.134 17.702 1.00 26.06 C ATOM 1104 CE LYS A 334 15.525 23.171 18.534 1.00 23.96 C ATOM 1105 NZ LYS A 334 15.323 22.673 19.920 1.00 30.34 N ATOM 1106 HZ1 LYS A 334 14.612 23.262 20.399 1.00 0.00 H ATOM 1107 HZ2 LYS A 334 14.993 21.687 19.888 1.00 0.00 H ATOM 1108 HZ3 LYS A 334 16.223 22.722 20.439 1.00 0.00 H ATOM 1109 H LYS A 334 10.373 23.373 18.503 1.00 0.00 H ATOM 1110 N THR A 335 10.518 26.932 15.884 1.00 15.26 N ATOM 1111 CA THR A 335 9.833 27.565 14.775 1.00 16.01 C ATOM 1112 C THR A 335 10.876 28.229 13.876 1.00 16.38 C ATOM 1113 O THR A 335 11.759 28.948 14.359 1.00 13.68 O ATOM 1114 CB THR A 335 8.817 28.598 15.311 1.00 18.02 C ATOM 1115 OG1 THR A 335 7.888 27.944 16.186 1.00 21.44 O ATOM 1116 CG2 THR A 335 8.046 29.223 14.205 1.00 15.07 C ATOM 1117 HG1 THR A 335 7.408 27.236 15.687 1.00 0.00 H ATOM 1118 H THR A 335 11.278 27.451 16.369 1.00 0.00 H ATOM 1119 N LEU A 336 10.785 27.978 12.576 1.00 12.92 N ATOM 1120 CA LEU A 336 11.740 28.541 11.620 1.00 13.70 C ATOM 1121 C LEU A 336 11.028 29.082 10.387 1.00 14.20 C ATOM 1122 O LEU A 336 10.151 28.422 9.840 1.00 16.20 O ATOM 1123 CB LEU A 336 12.753 27.480 11.193 1.00 16.05 C ATOM 1124 CG LEU A 336 13.780 27.062 12.247 1.00 16.75 C ATOM 1125 CD1 LEU A 336 14.581 25.876 11.780 1.00 21.62 C ATOM 1126 CD2 LEU A 336 14.703 28.242 12.551 1.00 18.88 C ATOM 1127 H LEU A 336 10.018 27.368 12.229 1.00 0.00 H ATOM 1128 N GLY A 337 11.405 30.281 9.955 1.00 12.44 N ATOM 1129 CA GLY A 337 10.838 30.858 8.750 1.00 10.60 C ATOM 1130 C GLY A 337 11.745 30.592 7.559 1.00 13.58 C ATOM 1131 O GLY A 337 12.964 30.575 7.682 1.00 13.82 O ATOM 1132 H GLY A 337 12.119 30.815 10.490 1.00 0.00 H ATOM 1133 N LEU A 338 11.150 30.379 6.397 1.00 11.96 N ATOM 1134 CA LEU A 338 11.942 30.169 5.194 1.00 10.28 C ATOM 1135 C LEU A 338 11.940 31.459 4.410 1.00 9.70 C ATOM 1136 O LEU A 338 10.881 31.924 4.006 1.00 12.30 O ATOM 1137 CB LEU A 338 11.327 29.063 4.349 1.00 9.51 C ATOM 1138 CG LEU A 338 12.106 28.749 3.077 1.00 16.16 C ATOM 1139 CD1 LEU A 338 13.376 27.986 3.417 1.00 16.96 C ATOM 1140 CD2 LEU A 338 11.222 27.946 2.156 1.00 16.39 C ATOM 1141 H LEU A 338 10.112 30.361 6.343 1.00 0.00 H ATOM 1142 N LYS A 339 13.122 32.029 4.206 1.00 9.77 N ATOM 1143 CA LYS A 339 13.250 33.369 3.639 1.00 13.65 C ATOM 1144 C LYS A 339 13.854 33.317 2.244 1.00 14.98 C ATOM 1145 O LYS A 339 14.856 32.640 2.015 1.00 14.61 O ATOM 1146 CB LYS A 339 14.143 34.233 4.535 1.00 15.71 C ATOM 1147 CG LYS A 339 14.357 35.677 4.041 1.00 14.74 C ATOM 1148 CD LYS A 339 13.021 36.415 3.978 1.00 15.76 C ATOM 1149 CE LYS A 339 13.230 37.919 3.913 1.00 20.67 C ATOM 1150 NZ LYS A 339 14.084 38.298 2.762 1.00 24.01 N ATOM 1151 HZ1 LYS A 339 15.013 37.839 2.855 1.00 0.00 H ATOM 1152 HZ2 LYS A 339 13.630 37.989 1.879 1.00 0.00 H ATOM 1153 HZ3 LYS A 339 14.206 39.331 2.748 1.00 0.00 H ATOM 1154 H LYS A 339 13.984 31.505 4.458 1.00 0.00 H ATOM 1155 N ILE A 340 13.228 34.031 1.317 1.00 15.42 N ATOM 1156 CA ILE A 340 13.829 34.339 0.031 1.00 20.29 C ATOM 1157 C ILE A 340 14.147 35.835 -0.005 1.00 27.56 C ATOM 1158 O ILE A 340 13.362 36.639 0.518 1.00 26.59 O ATOM 1159 CB ILE A 340 12.867 33.983 -1.105 1.00 16.11 C ATOM 1160 CG1 ILE A 340 12.709 32.469 -1.184 1.00 14.90 C ATOM 1161 CG2 ILE A 340 13.365 34.543 -2.427 1.00 21.46 C ATOM 1162 CD1 ILE A 340 11.736 32.000 -2.272 1.00 12.45 C ATOM 1163 OXT ILE A 340 15.177 36.287 -0.529 1.00 27.39 O ATOM 1164 H ILE A 340 12.271 34.383 1.519 1.00 0.00 H TER 1165 ILE A 340 HETATM 1166 O HOH 1 1.153 21.040 8.307 1.00 19.84 O HETATM 1167 O HOH 2 12.064 31.255 15.465 1.00 15.80 O HETATM 1168 O HOH 3 17.029 36.760 7.185 1.00 23.78 O HETATM 1169 O HOH 4 11.388 34.036 -19.372 1.00 9.84 O HETATM 1170 O HOH 5 15.266 26.966 -7.816 1.00 16.15 O HETATM 1171 O HOH 6 7.149 35.614 -25.112 1.00 22.01 O HETATM 1172 O HOH 7 16.745 29.263 -8.158 1.00 19.21 O HETATM 1173 O HOH 8 -3.921 18.555 -7.321 1.00 28.49 O HETATM 1174 O HOH 9 15.335 35.835 -17.889 1.00 20.51 O HETATM 1175 O HOH 10 -8.601 33.382 -13.787 1.00 17.20 O HETATM 1176 O HOH 11 -8.294 27.231 -8.492 1.00 13.22 O HETATM 1177 O HOH 12 17.353 30.175 -13.401 1.00 31.00 O HETATM 1178 O HOH 13 -8.678 33.788 0.766 1.00 33.84 O HETATM 1179 O HOH 14 -3.606 39.131 -10.427 1.00 18.82 O HETATM 1180 O HOH 15 14.921 36.533 11.495 1.00 26.91 O HETATM 1181 O HOH 16 -8.423 32.680 -11.176 1.00 21.36 O HETATM 1182 O HOH 17 -8.776 30.180 -10.599 1.00 17.00 O HETATM 1183 O HOH 18 7.826 40.641 6.530 1.00 23.12 O HETATM 1184 O HOH 19 17.120 27.706 -0.719 1.00 22.93 O HETATM 1185 O HOH 20 23.214 23.811 5.222 1.00 38.04 O HETATM 1186 O HOH 21 5.173 26.394 -18.896 1.00 30.08 O HETATM 1187 O HOH 22 7.862 37.621 -1.947 1.00 23.02 O HETATM 1188 O HOH 23 -6.408 21.064 -7.504 1.00 29.03 O HETATM 1189 O HOH 24 4.974 20.152 14.603 1.00 36.99 O HETATM 1190 O HOH 25 2.444 38.628 9.849 1.00 31.84 O HETATM 1191 O HOH 26 4.722 32.168 -21.123 1.00 29.66 O HETATM 1192 O HOH 27 20.824 25.013 2.147 1.00 25.90 O HETATM 1193 O HOH 28 9.317 42.163 -21.826 1.00 21.71 O HETATM 1194 O HOH 29 15.786 28.397 -15.325 1.00 42.63 O HETATM 1195 O HOH 30 8.924 28.285 19.604 1.00 35.73 O HETATM 1196 O HOH 31 -0.931 34.519 -19.202 1.00 22.22 O HETATM 1197 O HOH 32 16.125 33.518 -16.524 1.00 32.27 O HETATM 1198 O HOH 33 -8.947 25.449 -6.420 1.00 29.00 O HETATM 1199 O HOH 34 17.426 19.778 -1.797 1.00 21.96 O HETATM 1200 O HOH 35 -8.655 22.701 -7.507 1.00 32.63 O HETATM 1201 O HOH 36 17.026 38.198 3.042 1.00 25.50 O HETATM 1202 O HOH 37 -8.810 27.518 -15.740 1.00 30.25 O HETATM 1203 O HOH 38 21.074 30.814 7.901 1.00 44.28 O HETATM 1204 O HOH 39 2.491 15.364 0.429 1.00 34.16 O HETATM 1205 O HOH 40 17.123 36.340 10.287 1.00 37.03 O HETATM 1206 O HOH 41 -5.830 30.980 0.206 1.00 37.72 O HETATM 1207 O HOH 42 2.569 38.434 -14.496 1.00 25.08 O HETATM 1208 O HOH 43 5.824 35.745 14.602 1.00 42.33 O HETATM 1209 O HOH 44 -2.470 36.845 6.360 1.00 34.18 O HETATM 1210 O HOH 45 12.035 29.124 -17.411 1.00 33.31 O HETATM 1211 O HOH 46 9.859 39.368 -1.894 1.00 34.18 O HETATM 1212 O HOH 47 -1.455 28.945 8.453 1.00 25.74 O HETATM 1213 O HOH 48 4.197 36.680 -12.059 1.00 41.65 O HETATM 1214 O HOH 49 -0.710 31.516 8.907 1.00 35.26 O HETATM 1215 O HOH 50 0.367 19.674 -5.543 1.00 27.40 O HETATM 1216 O HOH 51 11.606 19.980 -4.725 1.00 33.36 O HETATM 1217 O HOH 52 16.232 38.876 -0.129 1.00 39.45 O HETATM 1218 O HOH 53 -0.196 21.611 16.828 1.00 51.32 O HETATM 1219 O HOH 54 3.325 38.947 -21.043 1.00 36.02 O HETATM 1220 O HOH 55 17.822 29.891 -6.105 1.00 35.72 O HETATM 1221 O HOH 56 -9.168 35.005 -9.929 1.00 29.55 O HETATM 1222 O HOH 57 19.867 28.067 8.518 1.00 35.65 O HETATM 1223 O HOH 58 3.740 28.791 14.738 1.00 44.54 O HETATM 1224 O HOH 59 18.344 28.314 -4.691 1.00 36.18 O HETATM 1225 O HOH 60 16.589 30.817 -3.248 1.00 32.86 O HETATM 1226 O HOH 61 -8.607 36.165 0.693 1.00 31.24 O HETATM 1227 O HOH 62 19.419 22.529 -12.502 1.00 41.35 O HETATM 1228 O HOH 63 20.670 27.462 10.626 1.00 40.61 O HETATM 1229 O HOH 64 1.331 37.095 -22.014 1.00 42.76 O HETATM 1230 O HOH 65 7.102 18.199 -4.339 1.00 40.25 O HETATM 1231 O HOH 66 12.774 21.861 -10.644 1.00 13.39 O HETATM 1232 O HOH 67 -0.453 39.596 9.830 1.00 52.49 O HETATM 1233 O HOH 68 11.765 41.133 3.601 1.00 45.54 O HETATM 1234 O HOH 69 -1.659 32.416 4.922 1.00 41.84 O HETATM 1235 O HOH 70 -4.360 30.191 -17.110 1.00 35.36 O HETATM 1236 O HOH 71 3.388 16.779 15.484 1.00 52.30 O HETATM 1237 O HOH 72 -8.343 25.297 -11.076 1.00 30.12 O HETATM 1238 O HOH 73 12.131 31.496 -18.785 1.00 38.32 O HETATM 1239 O HOH 74 10.608 34.720 16.867 1.00 49.84 O HETATM 1240 O HOH 75 11.813 18.355 -2.757 1.00 42.14 O HETATM 1241 O HOH 76 1.979 14.020 -6.068 1.00 44.94 O HETATM 1242 O HOH 77 6.861 40.813 -15.570 1.00 50.72 O HETATM 1243 O HOH 78 17.419 40.315 -1.946 1.00 45.42 O HETATM 1244 O HOH 79 -8.574 37.710 -10.512 1.00 38.83 O HETATM 1245 O HOH 80 19.305 22.076 -5.641 1.00 26.66 O HETATM 1246 O HOH 81 -8.063 35.685 -7.001 1.00 39.25 O HETATM 1247 O HOH 82 -2.451 41.635 -13.804 1.00 38.29 O HETATM 1248 O HOH 83 9.215 21.334 -1.226 1.00 41.92 O HETATM 1249 O HOH 84 2.848 17.077 -2.547 1.00 43.32 O HETATM 1250 O HOH 85 15.582 19.094 14.064 1.00 46.47 O HETATM 1251 O HOH 86 2.151 39.274 1.918 1.00 38.24 O HETATM 1252 O HOH 87 18.498 40.118 2.930 1.00 40.32 O HETATM 1253 O HOH 88 0.503 24.229 16.832 1.00 44.54 O HETATM 1254 O HOH 89 15.036 32.704 -18.252 1.00 50.30 O HETATM 1255 O HOH 90 7.452 31.818 16.114 1.00 28.27 O HETATM 1256 O HOH 91 16.972 28.808 -2.714 1.00 40.38 O HETATM 1257 O HOH 92 4.448 16.432 12.374 1.00 45.57 O HETATM 1258 O HOH 93 20.535 23.631 -4.267 1.00 46.23 O HETATM 1259 O HOH 94 14.132 27.708 -16.922 1.00 43.76 O HETATM 1260 O HOH 95 10.152 13.742 5.940 1.00 46.58 O HETATM 1261 O HOH 96 2.579 32.814 10.366 1.00 39.15 O HETATM 1262 O HOH 97 10.171 44.450 -21.427 1.00 50.63 O HETATM 1263 O HOH 98 -4.921 18.935 -5.323 1.00 58.14 O HETATM 1264 O HOH 99 -8.074 26.638 -13.502 1.00 74.74 O HETATM 1265 O HOH 100 1.686 43.928 -12.898 1.00 47.85 O HETATM 1266 O HOH 101 -3.482 31.739 -19.427 1.00 45.51 O HETATM 1267 O HOH 102 5.238 15.651 16.145 1.00 62.85 O HETATM 1268 O HOH 103 6.406 16.925 1.269 1.00 46.91 O HETATM 1269 O HOH 104 -0.505 17.107 -18.745 1.00 55.74 O HETATM 1270 O HOH 105 17.623 13.398 8.525 1.00 44.39 O HETATM 1271 OAB UNN A 106 -3.140 19.097 0.507 1.00 -0.56 O HETATM 1272 CAS UNN A 106 -3.160 19.884 -0.473 1.00 0.06 C HETATM 1273 OAE UNN A 106 -4.269 20.098 -1.015 1.00 -0.56 O HETATM 1274 CBC UNN A 106 -1.869 20.504 -0.926 1.00 -0.00 C HETATM 1275 CAQ UNN A 106 -0.740 20.155 -0.197 1.00 -0.03 C HETATM 1276 CBB UNN A 106 0.516 20.658 -0.515 1.00 0.07 C HETATM 1277 CAN UNN A 106 0.646 21.533 -1.583 1.00 -0.04 C HETATM 1278 CAK UNN A 106 -0.475 21.895 -2.312 1.00 -0.07 C HETATM 1279 CAX UNN A 106 -1.729 21.394 -2.001 1.00 -0.05 C HETATM 1280 CAA UNN A 106 -2.867 21.856 -2.861 1.00 -0.04 C HETATM 1281 H2 UNN A 106 -2.489 22.547 -3.629 1.00 0.04 H HETATM 1282 H3 UNN A 106 -3.612 22.372 -2.237 1.00 0.04 H HETATM 1283 H4 UNN A 106 -3.335 20.988 -3.348 1.00 0.04 H HETATM 1284 H5 UNN A 106 -0.369 22.584 -3.142 1.00 0.05 H HETATM 1285 H6 UNN A 106 1.619 21.931 -1.846 1.00 0.05 H HETATM 1286 NBE UNN A 106 1.670 20.283 0.254 1.00 -0.19 N HETATM 1287 CBD UNN A 106 2.587 21.138 0.713 1.00 0.14 C HETATM 1288 CBA UNN A 106 2.061 22.196 1.593 1.00 0.05 C HETATM 1289 SAR UNN A 106 1.397 21.832 3.092 1.00 -0.03 S HETATM 1290 CAO UNN A 106 0.994 23.386 3.587 1.00 -0.01 C HETATM 1291 CAY UNN A 106 1.393 24.210 2.531 1.00 -0.02 C HETATM 1292 BRA UNN A 106 1.152 26.112 2.606 1.00 -0.08 BR HETATM 1293 CAP UNN A 106 1.997 23.577 1.406 1.00 -0.07 C HETATM 1294 H9 UNN A 106 2.359 24.100 0.522 1.00 0.03 H HETATM 1295 H8 UNN A 106 0.525 23.685 4.524 1.00 0.07 H HETATM 1296 CAW UNN A 106 3.623 20.404 1.284 1.00 0.09 C HETATM 1297 CAU UNN A 106 3.247 19.063 1.208 1.00 0.19 C HETATM 1298 CAV UNN A 106 2.016 19.030 0.555 1.00 0.27 C HETATM 1299 OAD UNN A 106 1.273 17.930 0.250 1.00 -0.37 O HETATM 1300 OAF UNN A 106 3.952 17.977 1.663 1.00 -0.32 O HETATM 1301 H10 UNN A 106 4.758 18.272 2.070 1.00 0.25 H HETATM 1302 CAT UNN A 106 4.860 21.055 1.811 1.00 0.15 C HETATM 1303 OAC UNN A 106 5.151 22.148 1.333 1.00 -0.38 O HETATM 1304 CAZ UNN A 106 5.737 20.468 2.869 1.00 0.03 C HETATM 1305 CAL UNN A 106 7.086 20.788 2.861 1.00 -0.04 C HETATM 1306 CAI UNN A 106 7.935 20.269 3.833 1.00 -0.06 C HETATM 1307 CAH UNN A 106 7.433 19.425 4.816 1.00 -0.06 C HETATM 1308 CAJ UNN A 106 6.079 19.107 4.834 1.00 -0.06 C HETATM 1309 CAM UNN A 106 5.229 19.628 3.861 1.00 -0.04 C HETATM 1310 H15 UNN A 106 4.174 19.381 3.874 1.00 0.07 H HETATM 1311 H14 UNN A 106 5.685 18.454 5.605 1.00 0.06 H HETATM 1312 H13 UNN A 106 8.096 19.015 5.569 1.00 0.07 H HETATM 1313 H12 UNN A 106 8.989 20.523 3.824 1.00 0.06 H HETATM 1314 H11 UNN A 106 7.481 21.445 2.094 1.00 0.07 H HETATM 1315 H7 UNN A 106 3.004 21.657 -0.163 1.00 0.09 H HETATM 1316 H1 UNN A 106 -0.841 19.474 0.640 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1271 1272 CONECT 1272 1271 1273 1274 CONECT 1273 1272 CONECT 1274 1272 1275 1279 CONECT 1275 1274 1276 1316 CONECT 1276 1275 1277 1286 CONECT 1277 1276 1278 1285 CONECT 1278 1277 1279 1284 CONECT 1279 1274 1278 1280 CONECT 1280 1279 1281 1282 1283 CONECT 1281 1280 CONECT 1282 1280 CONECT 1283 1280 CONECT 1284 1278 CONECT 1285 1277 CONECT 1286 1276 1287 1298 CONECT 1287 1286 1288 1296 1315 CONECT 1288 1287 1289 1293 CONECT 1289 1288 1290 CONECT 1290 1289 1291 1295 CONECT 1291 1290 1292 1293 CONECT 1292 1291 CONECT 1293 1288 1291 1294 CONECT 1294 1293 CONECT 1295 1290 CONECT 1296 1287 1297 1302 CONECT 1297 1296 1298 1300 CONECT 1298 1286 1297 1299 CONECT 1299 1298 CONECT 1300 1297 1301 CONECT 1301 1300 CONECT 1302 1296 1303 1304 CONECT 1303 1302 CONECT 1304 1302 1305 1309 CONECT 1305 1304 1306 1314 CONECT 1306 1305 1307 1313 CONECT 1307 1306 1308 1312 CONECT 1308 1307 1309 1311 CONECT 1309 1304 1308 1310 CONECT 1310 1309 CONECT 1311 1308 CONECT 1312 1307 CONECT 1313 1306 CONECT 1314 1305 CONECT 1315 1287 CONECT 1316 1275 MASTER 0 0 0 0 0 0 0 0 1315 1 50 10 END
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Structure:
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Related entries of code: 4ibd
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%
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
4ibd
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Polymerase cofactor Ebola virus VP35
Ligand Name
1DL
EC.Number
E.C.-.-.-.-
Resolution
1.84(Å)
Affinity (Kd/Ki/IC50)
Kd=214.6uM
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
6
BrNO
5
S
Molecular Weight
498.346
Exact Mass
496.993
No. of atoms
47
No. of bonds
50
Polar Surface Area
123.15
LOGP Value
5.93 (
Computed with XLOGP3
)
5.37 (
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: 6
No. of Rings: 4
Canonical SMILES
Brc1csc(c1)[C@@H]1N(c2ccc(c(c2)C(=O)O)C)C(=O)C(=C1C(=O)c1ccccc1)O
InChI String
InChI=1S/C23H16BrNO5S/c1-12-7-8-15(10-16(12)23(29)30)25-19(17-9-14(24)11-31-17)18(21(27)22(25)28)20(26)13-5-3-2-4-6-13/h2-11,19,27H,1H3,(H,29,30)/t19-/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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