Browse entries in the PDBbind-CN Database
HEADER 4IBF_COMPLEX COMPND 4IBF_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 174 43 ATOM 1 N ASP A 218 -9.210 22.725 -16.863 1.00 73.06 N ATOM 2 CA ASP A 218 -8.999 23.461 -15.620 1.00 71.33 C ATOM 3 C ASP A 218 -7.775 22.963 -14.867 1.00 66.12 C ATOM 4 O ASP A 218 -7.776 21.845 -14.340 1.00 65.56 O ATOM 5 CB ASP A 218 -10.223 23.363 -14.710 1.00 77.65 C ATOM 6 CG ASP A 218 -11.321 24.312 -15.114 1.00 83.14 C ATOM 7 OD1 ASP A 218 -11.022 25.308 -15.801 1.00 84.50 O ATOM 8 OD2 ASP A 218 -12.483 24.065 -14.742 1.00 89.43 O ATOM 9 HN3 ASP A 218 -9.347 21.717 -16.648 1.00 0.00 H ATOM 10 HN2 ASP A 218 -8.379 22.840 -17.478 1.00 0.00 H ATOM 11 HN1 ASP A 218 -10.054 23.096 -17.345 1.00 0.00 H ATOM 12 N ILE A 219 -6.750 23.812 -14.806 1.00 59.41 N ATOM 13 CA ILE A 219 -5.465 23.464 -14.203 1.00 49.78 C ATOM 14 C ILE A 219 -5.570 23.118 -12.720 1.00 47.04 C ATOM 15 O ILE A 219 -6.242 23.805 -11.941 1.00 52.72 O ATOM 16 CB ILE A 219 -4.405 24.574 -14.441 1.00 60.22 C ATOM 17 CG1 ILE A 219 -2.996 24.028 -14.223 1.00 58.71 C ATOM 18 CG2 ILE A 219 -4.659 25.801 -13.564 1.00 55.95 C ATOM 19 CD1 ILE A 219 -1.923 25.005 -14.614 1.00 60.19 C ATOM 20 H ILE A 219 -6.870 24.765 -15.205 1.00 0.00 H ATOM 21 N SER A 220 -4.926 22.026 -12.332 1.00 44.13 N ATOM 22 CA SER A 220 -4.930 21.635 -10.935 1.00 40.69 C ATOM 23 C SER A 220 -3.690 22.197 -10.265 1.00 39.05 C ATOM 24 O SER A 220 -2.766 22.650 -10.943 1.00 46.43 O ATOM 25 CB SER A 220 -5.001 20.114 -10.790 1.00 42.85 C ATOM 26 OG SER A 220 -3.838 19.485 -11.290 1.00 44.22 O ATOM 27 HG SER A 220 -3.734 19.702 -12.250 1.00 0.00 H ATOM 28 H SER A 220 -4.417 21.448 -13.031 1.00 0.00 H ATOM 29 N ALA A 221 -3.682 22.193 -8.935 1.00 32.55 N ATOM 30 CA ALA A 221 -2.508 22.593 -8.167 1.00 29.62 C ATOM 31 C ALA A 221 -1.273 21.792 -8.566 1.00 32.33 C ATOM 32 O ALA A 221 -0.190 22.346 -8.720 1.00 41.79 O ATOM 33 CB ALA A 221 -2.772 22.416 -6.673 1.00 34.95 C ATOM 34 H ALA A 221 -4.539 21.896 -8.427 1.00 0.00 H ATOM 35 N LYS A 222 -1.437 20.481 -8.694 1.00 31.85 N ATOM 36 CA LYS A 222 -0.340 19.585 -9.049 1.00 36.39 C ATOM 37 C LYS A 222 0.242 19.976 -10.394 1.00 36.83 C ATOM 38 O LYS A 222 1.455 20.054 -10.570 1.00 34.68 O ATOM 39 CB LYS A 222 -0.864 18.151 -9.101 1.00 48.53 C ATOM 40 CG LYS A 222 0.137 17.107 -9.537 1.00 59.92 C ATOM 41 CD LYS A 222 -0.265 15.752 -8.978 1.00 68.09 C ATOM 42 CE LYS A 222 0.309 14.611 -9.793 1.00 76.97 C ATOM 43 NZ LYS A 222 -0.523 14.313 -10.993 1.00 81.46 N ATOM 44 HZ1 LYS A 222 -1.482 14.048 -10.691 1.00 0.00 H ATOM 45 HZ2 LYS A 222 -0.569 15.157 -11.599 1.00 0.00 H ATOM 46 HZ3 LYS A 222 -0.096 13.527 -11.523 1.00 0.00 H ATOM 47 H LYS A 222 -2.382 20.077 -8.536 1.00 0.00 H ATOM 48 N ASP A 223 -0.646 20.232 -11.343 1.00 39.56 N ATOM 49 CA ASP A 223 -0.243 20.623 -12.674 1.00 36.21 C ATOM 50 C ASP A 223 0.474 21.952 -12.650 1.00 31.44 C ATOM 51 O ASP A 223 1.489 22.121 -13.318 1.00 34.41 O ATOM 52 CB ASP A 223 -1.465 20.717 -13.576 1.00 50.54 C ATOM 53 CG ASP A 223 -2.003 19.362 -13.952 1.00 62.67 C ATOM 54 OD1 ASP A 223 -1.185 18.422 -14.038 1.00 63.26 O ATOM 55 OD2 ASP A 223 -3.233 19.240 -14.162 1.00 70.79 O ATOM 56 H ASP A 223 -1.659 20.149 -11.124 1.00 0.00 H ATOM 57 N LEU A 224 -0.060 22.904 -11.891 1.00 29.40 N ATOM 58 CA LEU A 224 0.577 24.209 -11.802 1.00 29.24 C ATOM 59 C LEU A 224 1.957 24.067 -11.146 1.00 35.83 C ATOM 60 O LEU A 224 2.931 24.699 -11.567 1.00 39.63 O ATOM 61 CB LEU A 224 -0.305 25.219 -11.044 1.00 30.59 C ATOM 62 CG LEU A 224 0.252 26.649 -11.103 1.00 29.10 C ATOM 63 CD1 LEU A 224 0.327 27.137 -12.548 1.00 31.42 C ATOM 64 CD2 LEU A 224 -0.562 27.592 -10.281 1.00 20.96 C ATOM 65 H LEU A 224 -0.934 22.716 -11.360 1.00 0.00 H ATOM 66 N ARG A 225 2.036 23.216 -10.129 1.00 31.76 N ATOM 67 CA ARG A 225 3.292 22.955 -9.444 1.00 33.92 C ATOM 68 C ARG A 225 4.355 22.448 -10.416 1.00 35.97 C ATOM 69 O ARG A 225 5.468 22.975 -10.476 1.00 36.87 O ATOM 70 CB ARG A 225 3.088 21.933 -8.331 1.00 27.01 C ATOM 71 CG ARG A 225 4.364 21.590 -7.589 1.00 37.19 C ATOM 72 CD ARG A 225 4.182 20.385 -6.687 1.00 41.31 C ATOM 73 NE ARG A 225 4.145 19.146 -7.458 1.00 48.38 N ATOM 74 CZ ARG A 225 3.448 18.073 -7.103 1.00 57.99 C ATOM 75 NH1 ARG A 225 2.726 18.095 -5.989 1.00 55.97 N ATOM 76 NH2 ARG A 225 3.469 16.984 -7.865 1.00 65.41 N ATOM 77 HE ARG A 225 4.698 19.101 -8.338 1.00 0.00 H ATOM 78 HH12 ARG A 225 2.179 17.257 -5.707 1.00 0.00 H ATOM 79 HH11 ARG A 225 2.708 18.951 -5.398 1.00 0.00 H ATOM 80 HH22 ARG A 225 2.923 16.144 -7.587 1.00 0.00 H ATOM 81 HH21 ARG A 225 4.032 16.972 -8.740 1.00 0.00 H ATOM 82 H ARG A 225 1.176 22.723 -9.814 1.00 0.00 H ATOM 83 N ASN A 226 3.994 21.430 -11.184 1.00 31.96 N ATOM 84 CA ASN A 226 4.917 20.824 -12.128 1.00 29.37 C ATOM 85 C ASN A 226 5.361 21.820 -13.170 1.00 33.35 C ATOM 86 O ASN A 226 6.540 21.876 -13.520 1.00 42.53 O ATOM 87 CB ASN A 226 4.284 19.607 -12.786 1.00 28.08 C ATOM 88 CG ASN A 226 4.141 18.459 -11.832 1.00 40.80 C ATOM 89 OD1 ASN A 226 4.900 18.351 -10.867 1.00 46.21 O ATOM 90 ND2 ASN A 226 3.174 17.589 -12.085 1.00 41.23 N ATOM 91 HD22 ASN A 226 2.558 17.722 -12.912 1.00 0.00 H ATOM 92 HD21 ASN A 226 3.031 16.773 -11.456 1.00 0.00 H ATOM 93 H ASN A 226 3.026 21.056 -11.109 1.00 0.00 H ATOM 94 N ILE A 227 4.412 22.617 -13.651 1.00 34.62 N ATOM 95 CA ILE A 227 4.719 23.697 -14.581 1.00 36.23 C ATOM 96 C ILE A 227 5.792 24.645 -14.031 1.00 34.96 C ATOM 97 O ILE A 227 6.751 24.971 -14.727 1.00 36.11 O ATOM 98 CB ILE A 227 3.453 24.483 -14.963 1.00 37.20 C ATOM 99 CG1 ILE A 227 2.575 23.629 -15.880 1.00 36.41 C ATOM 100 CG2 ILE A 227 3.821 25.825 -15.608 1.00 31.91 C ATOM 101 CD1 ILE A 227 1.333 24.333 -16.378 1.00 34.36 C ATOM 102 H ILE A 227 3.426 22.466 -13.357 1.00 0.00 H ATOM 103 N MET A 228 5.651 25.055 -12.771 1.00 35.30 N ATOM 104 CA MET A 228 6.606 25.984 -12.158 1.00 23.81 C ATOM 105 C MET A 228 7.917 25.270 -11.823 1.00 21.71 C ATOM 106 O MET A 228 9.008 25.797 -12.077 1.00 25.22 O ATOM 107 CB MET A 228 5.982 26.645 -10.919 1.00 29.01 C ATOM 108 CG MET A 228 4.741 27.476 -11.220 1.00 17.23 C ATOM 109 SD MET A 228 3.769 28.062 -9.791 1.00 32.20 S ATOM 110 CE MET A 228 3.125 29.599 -10.464 1.00 27.13 C ATOM 111 H MET A 228 4.846 24.709 -12.210 1.00 0.00 H ATOM 112 N TYR A 229 7.816 24.054 -11.289 1.00 26.35 N ATOM 113 CA TYR A 229 9.003 23.223 -11.044 1.00 33.37 C ATOM 114 C TYR A 229 9.857 23.078 -12.297 1.00 36.60 C ATOM 115 O TYR A 229 11.093 23.035 -12.233 1.00 33.21 O ATOM 116 CB TYR A 229 8.604 21.822 -10.561 1.00 29.39 C ATOM 117 CG TYR A 229 8.376 21.697 -9.069 1.00 26.03 C ATOM 118 CD1 TYR A 229 8.312 22.823 -8.254 1.00 25.83 C ATOM 119 CD2 TYR A 229 8.233 20.448 -8.475 1.00 30.11 C ATOM 120 CE1 TYR A 229 8.105 22.710 -6.885 1.00 29.25 C ATOM 121 CE2 TYR A 229 8.035 20.320 -7.107 1.00 39.61 C ATOM 122 CZ TYR A 229 7.973 21.454 -6.318 1.00 37.86 C ATOM 123 OH TYR A 229 7.777 21.327 -4.966 1.00 37.65 O ATOM 124 HH TYR A 229 7.757 22.225 -4.551 1.00 0.00 H ATOM 125 H TYR A 229 6.876 23.684 -11.040 1.00 0.00 H ATOM 126 N ASP A 230 9.185 22.998 -13.440 1.00 38.63 N ATOM 127 CA ASP A 230 9.866 22.781 -14.707 1.00 44.51 C ATOM 128 C ASP A 230 10.748 23.974 -15.073 1.00 35.07 C ATOM 129 O ASP A 230 11.729 23.831 -15.795 1.00 41.41 O ATOM 130 CB ASP A 230 8.844 22.489 -15.816 1.00 59.53 C ATOM 131 CG ASP A 230 9.498 22.177 -17.154 1.00 74.56 C ATOM 132 OD1 ASP A 230 9.824 20.989 -17.396 1.00 82.68 O ATOM 133 OD2 ASP A 230 9.676 23.118 -17.965 1.00 74.83 O ATOM 134 H ASP A 230 8.149 23.093 -13.429 1.00 0.00 H ATOM 135 N HIS A 231 10.408 25.145 -14.551 1.00 33.11 N ATOM 136 CA HIS A 231 11.176 26.356 -14.819 1.00 33.54 C ATOM 137 C HIS A 231 12.305 26.637 -13.818 1.00 34.77 C ATOM 138 O HIS A 231 13.101 27.554 -14.025 1.00 36.45 O ATOM 139 CB HIS A 231 10.227 27.549 -14.902 1.00 27.97 C ATOM 140 CG HIS A 231 9.568 27.688 -16.238 1.00 36.45 C ATOM 141 ND1 HIS A 231 8.367 27.082 -16.545 1.00 38.60 N ATOM 142 CD2 HIS A 231 9.963 28.330 -17.362 1.00 37.44 C ATOM 143 CE1 HIS A 231 8.040 27.364 -17.795 1.00 37.63 C ATOM 144 NE2 HIS A 231 8.992 28.119 -18.312 1.00 39.72 N ATOM 145 H HIS A 231 9.572 25.201 -13.935 1.00 0.00 H ATOM 146 N LEU A 232 12.384 25.847 -12.744 1.00 31.34 N ATOM 147 CA LEU A 232 13.338 26.109 -11.662 1.00 23.77 C ATOM 148 C LEU A 232 14.582 25.212 -11.711 1.00 28.50 C ATOM 149 O LEU A 232 14.474 23.996 -11.888 1.00 31.41 O ATOM 150 CB LEU A 232 12.643 25.948 -10.312 1.00 23.19 C ATOM 151 CG LEU A 232 11.605 27.016 -9.928 1.00 25.87 C ATOM 152 CD1 LEU A 232 10.991 26.681 -8.583 1.00 19.57 C ATOM 153 CD2 LEU A 232 12.223 28.416 -9.907 1.00 23.23 C ATOM 154 H LEU A 232 11.752 25.024 -12.673 1.00 0.00 H ATOM 155 N PRO A 233 15.772 25.812 -11.541 1.00 32.14 N ATOM 156 CA PRO A 233 17.027 25.051 -11.424 1.00 37.80 C ATOM 157 C PRO A 233 17.153 24.369 -10.053 1.00 35.68 C ATOM 158 O PRO A 233 16.685 24.913 -9.054 1.00 33.17 O ATOM 159 CB PRO A 233 18.095 26.133 -11.560 1.00 31.53 C ATOM 160 CG PRO A 233 17.422 27.373 -11.020 1.00 32.60 C ATOM 161 CD PRO A 233 15.983 27.266 -11.406 1.00 29.95 C ATOM 162 N GLY A 234 17.774 23.193 -10.019 1.00 30.24 N ATOM 163 CA GLY A 234 17.987 22.458 -8.783 1.00 27.50 C ATOM 164 C GLY A 234 16.748 21.710 -8.340 1.00 31.40 C ATOM 165 O GLY A 234 15.741 21.698 -9.066 1.00 24.40 O ATOM 166 H GLY A 234 18.120 22.784 -10.910 1.00 0.00 H ATOM 167 N PHE A 235 16.817 21.076 -7.161 1.00 36.21 N ATOM 168 CA PHE A 235 15.608 20.545 -6.505 1.00 37.96 C ATOM 169 C PHE A 235 15.552 20.850 -5.010 1.00 34.19 C ATOM 170 O PHE A 235 16.577 20.915 -4.344 1.00 35.55 O ATOM 171 CB PHE A 235 15.409 19.042 -6.749 1.00 46.96 C ATOM 172 CG PHE A 235 13.946 18.634 -6.822 1.00 58.45 C ATOM 173 CD1 PHE A 235 13.090 19.234 -7.749 1.00 58.67 C ATOM 174 CD2 PHE A 235 13.427 17.663 -5.970 1.00 60.03 C ATOM 175 CE1 PHE A 235 11.747 18.881 -7.826 1.00 52.57 C ATOM 176 CE2 PHE A 235 12.080 17.300 -6.039 1.00 55.71 C ATOM 177 CZ PHE A 235 11.242 17.908 -6.968 1.00 54.49 C ATOM 178 H PHE A 235 17.741 20.956 -6.700 1.00 0.00 H ATOM 179 N GLY A 236 14.345 21.045 -4.494 1.00 31.82 N ATOM 180 CA GLY A 236 14.154 21.313 -3.081 1.00 30.91 C ATOM 181 C GLY A 236 14.690 22.650 -2.599 1.00 33.41 C ATOM 182 O GLY A 236 15.041 22.797 -1.434 1.00 36.41 O ATOM 183 H GLY A 236 13.515 21.005 -5.119 1.00 0.00 H ATOM 184 N THR A 237 14.748 23.635 -3.488 1.00 33.36 N ATOM 185 CA THR A 237 15.246 24.956 -3.115 1.00 27.31 C ATOM 186 C THR A 237 14.133 25.755 -2.436 1.00 24.55 C ATOM 187 O THR A 237 12.982 25.339 -2.424 1.00 29.21 O ATOM 188 CB THR A 237 15.732 25.730 -4.353 1.00 23.85 C ATOM 189 OG1 THR A 237 14.603 26.158 -5.117 1.00 27.42 O ATOM 190 CG2 THR A 237 16.628 24.848 -5.238 1.00 23.67 C ATOM 191 HG1 THR A 237 14.081 25.367 -5.404 1.00 0.00 H ATOM 192 H THR A 237 14.434 23.463 -4.464 1.00 0.00 H ATOM 193 N ALA A 238 14.474 26.909 -1.882 1.00 24.60 N ATOM 194 CA ALA A 238 13.478 27.780 -1.263 1.00 22.54 C ATOM 195 C ALA A 238 12.369 28.181 -2.246 1.00 26.44 C ATOM 196 O ALA A 238 11.228 28.387 -1.840 1.00 28.26 O ATOM 197 CB ALA A 238 14.143 29.002 -0.701 1.00 16.96 C ATOM 198 H ALA A 238 15.472 27.201 -1.888 1.00 0.00 H ATOM 199 N PHE A 239 12.711 28.287 -3.530 1.00 26.78 N ATOM 200 CA PHE A 239 11.734 28.628 -4.574 1.00 25.06 C ATOM 201 C PHE A 239 10.792 27.476 -4.899 1.00 24.81 C ATOM 202 O PHE A 239 9.646 27.695 -5.285 1.00 25.39 O ATOM 203 CB PHE A 239 12.428 29.119 -5.846 1.00 21.17 C ATOM 204 CG PHE A 239 12.877 30.546 -5.758 1.00 25.69 C ATOM 205 CD1 PHE A 239 11.973 31.582 -5.967 1.00 24.78 C ATOM 206 CD2 PHE A 239 14.193 30.857 -5.426 1.00 25.74 C ATOM 207 CE1 PHE A 239 12.378 32.901 -5.875 1.00 29.75 C ATOM 208 CE2 PHE A 239 14.609 32.176 -5.333 1.00 27.56 C ATOM 209 CZ PHE A 239 13.703 33.199 -5.554 1.00 31.23 C ATOM 210 H PHE A 239 13.701 28.123 -3.802 1.00 0.00 H ATOM 211 N HIS A 240 11.277 26.254 -4.736 1.00 27.86 N ATOM 212 CA HIS A 240 10.429 25.083 -4.863 1.00 23.99 C ATOM 213 C HIS A 240 9.371 25.089 -3.775 1.00 23.98 C ATOM 214 O HIS A 240 8.217 24.733 -4.009 1.00 29.51 O ATOM 215 CB HIS A 240 11.271 23.796 -4.787 1.00 21.31 C ATOM 216 CG HIS A 240 12.056 23.531 -6.031 1.00 32.96 C ATOM 217 ND1 HIS A 240 13.322 24.043 -6.237 1.00 33.41 N ATOM 218 CD2 HIS A 240 11.735 22.852 -7.159 1.00 27.79 C ATOM 219 CE1 HIS A 240 13.751 23.678 -7.433 1.00 30.95 C ATOM 220 NE2 HIS A 240 12.807 22.954 -8.012 1.00 30.18 N ATOM 221 H HIS A 240 12.285 26.131 -4.513 1.00 0.00 H ATOM 222 N GLN A 241 9.762 25.488 -2.576 1.00 23.75 N ATOM 223 CA GLN A 241 8.819 25.465 -1.465 1.00 24.84 C ATOM 224 C GLN A 241 7.825 26.592 -1.670 1.00 22.00 C ATOM 225 O GLN A 241 6.634 26.451 -1.363 1.00 31.93 O ATOM 226 CB GLN A 241 9.552 25.615 -0.125 1.00 21.89 C ATOM 227 CG GLN A 241 8.630 25.517 1.084 1.00 29.41 C ATOM 228 CD GLN A 241 7.875 24.190 1.148 1.00 32.98 C ATOM 229 OE1 GLN A 241 8.414 23.136 0.807 1.00 37.64 O ATOM 230 NE2 GLN A 241 6.621 24.242 1.581 1.00 33.25 N ATOM 231 HE22 GLN A 241 6.204 25.153 1.859 1.00 0.00 H ATOM 232 HE21 GLN A 241 6.055 23.371 1.642 1.00 0.00 H ATOM 233 H GLN A 241 10.737 25.816 -2.427 1.00 0.00 H ATOM 234 N LEU A 242 8.313 27.716 -2.195 1.00 19.30 N ATOM 235 CA LEU A 242 7.425 28.839 -2.531 1.00 24.99 C ATOM 236 C LEU A 242 6.354 28.418 -3.543 1.00 27.73 C ATOM 237 O LEU A 242 5.194 28.819 -3.432 1.00 28.18 O ATOM 238 CB LEU A 242 8.220 30.051 -3.043 1.00 20.56 C ATOM 239 CG LEU A 242 7.425 31.299 -3.465 1.00 21.55 C ATOM 240 CD1 LEU A 242 6.448 31.773 -2.387 1.00 17.15 C ATOM 241 CD2 LEU A 242 8.380 32.430 -3.825 1.00 17.66 C ATOM 242 H LEU A 242 9.335 27.800 -2.369 1.00 0.00 H ATOM 243 N VAL A 243 6.741 27.604 -4.523 1.00 24.64 N ATOM 244 CA VAL A 243 5.772 27.028 -5.453 1.00 24.91 C ATOM 245 C VAL A 243 4.712 26.201 -4.695 1.00 25.02 C ATOM 246 O VAL A 243 3.506 26.331 -4.927 1.00 28.99 O ATOM 247 CB VAL A 243 6.485 26.135 -6.511 1.00 24.14 C ATOM 248 CG1 VAL A 243 5.480 25.205 -7.246 1.00 17.20 C ATOM 249 CG2 VAL A 243 7.260 26.992 -7.477 1.00 16.86 C ATOM 250 H VAL A 243 7.750 27.374 -4.628 1.00 0.00 H ATOM 251 N GLN A 244 5.169 25.349 -3.791 1.00 26.00 N ATOM 252 CA GLN A 244 4.259 24.526 -3.008 1.00 34.92 C ATOM 253 C GLN A 244 3.243 25.386 -2.280 1.00 27.62 C ATOM 254 O GLN A 244 2.071 25.043 -2.178 1.00 23.42 O ATOM 255 CB GLN A 244 5.053 23.728 -1.980 1.00 41.34 C ATOM 256 CG GLN A 244 5.806 22.553 -2.559 1.00 41.24 C ATOM 257 CD GLN A 244 5.023 21.275 -2.417 1.00 47.71 C ATOM 258 OE1 GLN A 244 3.890 21.183 -2.884 1.00 57.47 O ATOM 259 NE2 GLN A 244 5.609 20.285 -1.748 1.00 47.27 N ATOM 260 HE22 GLN A 244 6.570 20.410 -1.371 1.00 0.00 H ATOM 261 HE21 GLN A 244 5.106 19.387 -1.602 1.00 0.00 H ATOM 262 H GLN A 244 6.194 25.266 -3.638 1.00 0.00 H ATOM 263 N VAL A 245 3.720 26.506 -1.762 1.00 32.05 N ATOM 264 CA VAL A 245 2.907 27.394 -0.949 1.00 27.85 C ATOM 265 C VAL A 245 1.909 28.165 -1.808 1.00 30.98 C ATOM 266 O VAL A 245 0.727 28.246 -1.477 1.00 30.03 O ATOM 267 CB VAL A 245 3.816 28.366 -0.176 1.00 26.31 C ATOM 268 CG1 VAL A 245 3.022 29.575 0.355 1.00 17.34 C ATOM 269 CG2 VAL A 245 4.550 27.616 0.939 1.00 16.87 C ATOM 270 H VAL A 245 4.712 26.760 -1.943 1.00 0.00 H ATOM 271 N ILE A 246 2.397 28.739 -2.906 1.00 29.24 N ATOM 272 CA ILE A 246 1.542 29.444 -3.865 1.00 28.38 C ATOM 273 C ILE A 246 0.417 28.533 -4.381 1.00 27.35 C ATOM 274 O ILE A 246 -0.729 28.951 -4.488 1.00 27.58 O ATOM 275 CB ILE A 246 2.381 29.986 -5.042 1.00 25.94 C ATOM 276 CG1 ILE A 246 3.227 31.175 -4.582 1.00 23.44 C ATOM 277 CG2 ILE A 246 1.507 30.392 -6.203 1.00 21.71 C ATOM 278 CD1 ILE A 246 4.370 31.531 -5.563 1.00 21.35 C ATOM 279 H ILE A 246 3.419 28.685 -3.089 1.00 0.00 H ATOM 280 N CYS A 247 0.739 27.277 -4.654 1.00 24.78 N ATOM 281 CA CYS A 247 -0.249 26.354 -5.187 1.00 31.06 C ATOM 282 C CYS A 247 -1.302 25.959 -4.146 1.00 30.49 C ATOM 283 O CYS A 247 -2.495 25.927 -4.439 1.00 42.17 O ATOM 284 CB CYS A 247 0.450 25.114 -5.760 1.00 33.31 C ATOM 285 SG CYS A 247 1.396 25.476 -7.266 1.00 37.47 S ATOM 286 H CYS A 247 1.711 26.948 -4.485 1.00 0.00 H ATOM 287 N LYS A 248 -0.853 25.660 -2.936 1.00 26.63 N ATOM 288 CA LYS A 248 -1.757 25.300 -1.847 1.00 26.22 C ATOM 289 C LYS A 248 -2.675 26.462 -1.456 1.00 26.27 C ATOM 290 O LYS A 248 -3.897 26.306 -1.404 1.00 35.29 O ATOM 291 CB LYS A 248 -0.954 24.827 -0.638 1.00 28.72 C ATOM 292 CG LYS A 248 -1.775 24.663 0.656 1.00 39.11 C ATOM 293 CD LYS A 248 -2.371 23.269 0.792 1.00 38.07 C ATOM 294 CE LYS A 248 -2.821 22.985 2.228 1.00 40.95 C ATOM 295 NZ LYS A 248 -3.787 23.982 2.770 1.00 45.28 N ATOM 296 HZ1 LYS A 248 -3.349 24.925 2.766 1.00 0.00 H ATOM 297 HZ2 LYS A 248 -4.641 23.993 2.177 1.00 0.00 H ATOM 298 HZ3 LYS A 248 -4.043 23.721 3.744 1.00 0.00 H ATOM 299 H LYS A 248 0.171 25.682 -2.757 1.00 0.00 H ATOM 300 N LEU A 249 -2.096 27.629 -1.191 1.00 25.32 N ATOM 301 CA LEU A 249 -2.904 28.804 -0.867 1.00 25.68 C ATOM 302 C LEU A 249 -3.758 29.205 -2.053 1.00 29.29 C ATOM 303 O LEU A 249 -4.875 29.682 -1.877 1.00 34.48 O ATOM 304 CB LEU A 249 -2.025 29.982 -0.443 1.00 28.57 C ATOM 305 CG LEU A 249 -1.252 29.846 0.879 1.00 34.64 C ATOM 306 CD1 LEU A 249 -0.818 31.215 1.367 1.00 25.46 C ATOM 307 CD2 LEU A 249 -2.094 29.146 1.948 1.00 41.58 C ATOM 308 H LEU A 249 -1.059 27.707 -1.214 1.00 0.00 H ATOM 309 N GLY A 250 -3.220 29.019 -3.262 1.00 26.69 N ATOM 310 CA GLY A 250 -3.944 29.328 -4.487 1.00 22.33 C ATOM 311 C GLY A 250 -5.140 28.412 -4.671 1.00 29.20 C ATOM 312 O GLY A 250 -6.233 28.854 -5.037 1.00 28.08 O ATOM 313 H GLY A 250 -2.253 28.641 -3.330 1.00 0.00 H ATOM 314 N LYS A 251 -4.948 27.124 -4.413 1.00 28.20 N ATOM 315 CA LYS A 251 -6.066 26.199 -4.508 1.00 34.01 C ATOM 316 C LYS A 251 -7.185 26.549 -3.521 1.00 26.41 C ATOM 317 O LYS A 251 -8.353 26.582 -3.891 1.00 35.23 O ATOM 318 CB LYS A 251 -5.609 24.756 -4.302 1.00 39.75 C ATOM 319 CG LYS A 251 -6.755 23.773 -4.428 1.00 45.80 C ATOM 320 CD LYS A 251 -6.382 22.436 -3.841 1.00 51.98 C ATOM 321 CE LYS A 251 -7.391 21.374 -4.215 1.00 53.98 C ATOM 322 NZ LYS A 251 -6.682 20.106 -4.548 1.00 59.44 N ATOM 323 HZ1 LYS A 251 -6.039 20.270 -5.349 1.00 0.00 H ATOM 324 HZ2 LYS A 251 -6.135 19.789 -3.722 1.00 0.00 H ATOM 325 HZ3 LYS A 251 -7.379 19.378 -4.805 1.00 0.00 H ATOM 326 H LYS A 251 -4.004 26.779 -4.145 1.00 0.00 H ATOM 327 N ASP A 252 -6.816 26.829 -2.275 1.00 24.31 N ATOM 328 CA ASP A 252 -7.776 27.106 -1.214 1.00 27.10 C ATOM 329 C ASP A 252 -8.596 28.353 -1.510 1.00 34.76 C ATOM 330 O ASP A 252 -9.707 28.533 -0.984 1.00 40.43 O ATOM 331 CB ASP A 252 -7.049 27.267 0.129 1.00 31.35 C ATOM 332 CG ASP A 252 -6.509 25.942 0.690 1.00 36.32 C ATOM 333 OD1 ASP A 252 -6.903 24.857 0.197 1.00 40.56 O ATOM 334 OD2 ASP A 252 -5.699 25.992 1.653 1.00 38.77 O ATOM 335 H ASP A 252 -5.801 26.851 -2.048 1.00 0.00 H ATOM 336 N SER A 253 -8.047 29.214 -2.360 1.00 36.02 N ATOM 337 CA SER A 253 -8.692 30.474 -2.717 1.00 35.92 C ATOM 338 C SER A 253 -9.166 30.507 -4.167 1.00 33.36 C ATOM 339 O SER A 253 -9.515 31.571 -4.669 1.00 35.55 O ATOM 340 CB SER A 253 -7.747 31.650 -2.443 1.00 36.64 C ATOM 341 OG SER A 253 -7.494 31.765 -1.048 1.00 47.42 O ATOM 342 HG SER A 253 -6.883 32.527 -0.886 1.00 0.00 H ATOM 343 H SER A 253 -7.127 28.982 -2.785 1.00 0.00 H ATOM 344 N ASN A 254 -9.169 29.348 -4.830 1.00 29.34 N ATOM 345 CA ASN A 254 -9.658 29.232 -6.208 1.00 34.56 C ATOM 346 C ASN A 254 -9.002 30.238 -7.141 1.00 36.77 C ATOM 347 O ASN A 254 -9.681 30.883 -7.946 1.00 30.41 O ATOM 348 CB ASN A 254 -11.183 29.398 -6.268 1.00 41.10 C ATOM 349 CG ASN A 254 -11.931 28.217 -5.643 1.00 53.62 C ATOM 350 OD1 ASN A 254 -12.516 27.388 -6.349 1.00 53.08 O ATOM 351 ND2 ASN A 254 -11.898 28.130 -4.313 1.00 57.82 N ATOM 352 HD22 ASN A 254 -11.394 28.850 -3.757 1.00 0.00 H ATOM 353 HD21 ASN A 254 -12.376 27.342 -3.831 1.00 0.00 H ATOM 354 H ASN A 254 -8.812 28.496 -4.352 1.00 0.00 H ATOM 355 N SER A 255 -7.686 30.372 -7.018 1.00 33.17 N ATOM 356 CA SER A 255 -6.946 31.400 -7.740 1.00 32.81 C ATOM 357 C SER A 255 -5.825 30.798 -8.594 1.00 28.69 C ATOM 358 O SER A 255 -4.947 31.513 -9.097 1.00 29.60 O ATOM 359 CB SER A 255 -6.384 32.425 -6.748 1.00 33.15 C ATOM 360 OG SER A 255 -7.438 33.190 -6.169 1.00 37.54 O ATOM 361 HG SER A 255 -8.059 32.585 -5.690 1.00 0.00 H ATOM 362 H SER A 255 -7.169 29.725 -6.389 1.00 0.00 H ATOM 363 N LEU A 256 -5.853 29.480 -8.756 1.00 24.17 N ATOM 364 CA LEU A 256 -4.842 28.798 -9.554 1.00 28.44 C ATOM 365 C LEU A 256 -4.794 29.381 -10.967 1.00 29.31 C ATOM 366 O LEU A 256 -3.745 29.415 -11.599 1.00 32.64 O ATOM 367 CB LEU A 256 -5.111 27.292 -9.609 1.00 32.29 C ATOM 368 CG LEU A 256 -5.026 26.515 -8.291 1.00 30.82 C ATOM 369 CD1 LEU A 256 -5.598 25.134 -8.483 1.00 30.91 C ATOM 370 CD2 LEU A 256 -3.590 26.429 -7.760 1.00 25.04 C ATOM 371 H LEU A 256 -6.609 28.925 -8.306 1.00 0.00 H ATOM 372 N ASP A 257 -5.926 29.872 -11.451 1.00 25.86 N ATOM 373 CA ASP A 257 -5.964 30.408 -12.795 1.00 27.95 C ATOM 374 C ASP A 257 -5.272 31.770 -12.927 1.00 26.23 C ATOM 375 O ASP A 257 -4.476 31.972 -13.845 1.00 29.78 O ATOM 376 CB ASP A 257 -7.398 30.455 -13.340 1.00 32.70 C ATOM 377 CG ASP A 257 -7.442 30.775 -14.820 1.00 38.11 C ATOM 378 OD1 ASP A 257 -7.400 29.828 -15.632 1.00 45.66 O ATOM 379 OD2 ASP A 257 -7.510 31.972 -15.169 1.00 33.72 O ATOM 380 H ASP A 257 -6.786 29.872 -10.866 1.00 0.00 H ATOM 381 N ILE A 258 -5.555 32.711 -12.031 1.00 25.38 N ATOM 382 CA ILE A 258 -4.896 34.008 -12.155 1.00 30.12 C ATOM 383 C ILE A 258 -3.399 33.878 -11.851 1.00 35.62 C ATOM 384 O ILE A 258 -2.568 34.560 -12.455 1.00 39.22 O ATOM 385 CB ILE A 258 -5.565 35.098 -11.281 1.00 34.18 C ATOM 386 CG1 ILE A 258 -4.861 36.443 -11.487 1.00 38.89 C ATOM 387 CG2 ILE A 258 -5.583 34.696 -9.820 1.00 21.80 C ATOM 388 CD1 ILE A 258 -4.830 36.902 -12.965 1.00 34.60 C ATOM 389 H ILE A 258 -6.229 32.528 -11.261 1.00 0.00 H ATOM 390 N ILE A 259 -3.060 32.977 -10.931 1.00 30.41 N ATOM 391 CA ILE A 259 -1.672 32.728 -10.588 1.00 29.77 C ATOM 392 C ILE A 259 -0.890 32.129 -11.764 1.00 27.54 C ATOM 393 O ILE A 259 0.251 32.512 -12.034 1.00 24.68 O ATOM 394 CB ILE A 259 -1.584 31.821 -9.354 1.00 27.72 C ATOM 395 CG1 ILE A 259 -2.114 32.576 -8.127 1.00 29.26 C ATOM 396 CG2 ILE A 259 -0.162 31.322 -9.166 1.00 20.47 C ATOM 397 CD1 ILE A 259 -2.379 31.688 -6.899 1.00 29.98 C ATOM 398 H ILE A 259 -3.807 32.439 -10.447 1.00 0.00 H ATOM 399 N HIS A 260 -1.500 31.193 -12.479 1.00 21.29 N ATOM 400 CA HIS A 260 -0.842 30.651 -13.664 1.00 24.28 C ATOM 401 C HIS A 260 -0.626 31.740 -14.725 1.00 24.25 C ATOM 402 O HIS A 260 0.386 31.746 -15.430 1.00 28.69 O ATOM 403 CB HIS A 260 -1.648 29.473 -14.239 1.00 26.59 C ATOM 404 CG HIS A 260 -1.142 28.979 -15.556 1.00 32.99 C ATOM 405 ND1 HIS A 260 -1.794 29.231 -16.746 1.00 44.05 N ATOM 406 CD2 HIS A 260 -0.036 28.265 -15.877 1.00 40.79 C ATOM 407 CE1 HIS A 260 -1.116 28.686 -17.742 1.00 50.17 C ATOM 408 NE2 HIS A 260 -0.045 28.092 -17.242 1.00 48.21 N ATOM 409 H HIS A 260 -2.440 30.848 -12.198 1.00 0.00 H ATOM 410 N ALA A 261 -1.579 32.661 -14.836 1.00 23.33 N ATOM 411 CA ALA A 261 -1.563 33.656 -15.905 1.00 26.12 C ATOM 412 C ALA A 261 -0.516 34.737 -15.613 1.00 34.35 C ATOM 413 O ALA A 261 0.224 35.171 -16.506 1.00 35.14 O ATOM 414 CB ALA A 261 -2.966 34.262 -16.090 1.00 22.12 C ATOM 415 H ALA A 261 -2.355 32.673 -14.144 1.00 0.00 H ATOM 416 N GLU A 262 -0.452 35.152 -14.351 1.00 35.00 N ATOM 417 CA GLU A 262 0.575 36.077 -13.881 1.00 24.44 C ATOM 418 C GLU A 262 1.951 35.478 -14.072 1.00 26.03 C ATOM 419 O GLU A 262 2.869 36.140 -14.569 1.00 33.09 O ATOM 420 CB GLU A 262 0.355 36.415 -12.399 1.00 29.90 C ATOM 421 CG GLU A 262 -0.920 37.213 -12.122 1.00 34.92 C ATOM 422 CD GLU A 262 -0.796 38.682 -12.497 1.00 37.12 C ATOM 423 OE1 GLU A 262 0.282 39.092 -12.971 1.00 35.75 O ATOM 424 OE2 GLU A 262 -1.776 39.432 -12.307 1.00 47.12 O ATOM 425 H GLU A 262 -1.160 34.804 -13.673 1.00 0.00 H ATOM 426 N PHE A 263 2.098 34.215 -13.688 1.00 23.81 N ATOM 427 CA PHE A 263 3.360 33.533 -13.882 1.00 23.98 C ATOM 428 C PHE A 263 3.756 33.513 -15.354 1.00 29.26 C ATOM 429 O PHE A 263 4.886 33.856 -15.708 1.00 29.72 O ATOM 430 CB PHE A 263 3.310 32.114 -13.316 1.00 22.84 C ATOM 431 CG PHE A 263 4.615 31.362 -13.452 1.00 25.25 C ATOM 432 CD1 PHE A 263 5.677 31.624 -12.600 1.00 27.68 C ATOM 433 CD2 PHE A 263 4.775 30.393 -14.428 1.00 23.44 C ATOM 434 CE1 PHE A 263 6.879 30.931 -12.723 1.00 22.75 C ATOM 435 CE2 PHE A 263 5.957 29.687 -14.543 1.00 19.12 C ATOM 436 CZ PHE A 263 7.017 29.960 -13.691 1.00 22.07 C ATOM 437 H PHE A 263 1.302 33.713 -13.245 1.00 0.00 H ATOM 438 N GLN A 264 2.829 33.122 -16.219 1.00 28.67 N ATOM 439 CA GLN A 264 3.132 33.097 -17.642 1.00 25.24 C ATOM 440 C GLN A 264 3.433 34.502 -18.184 1.00 25.41 C ATOM 441 O GLN A 264 4.325 34.669 -19.018 1.00 34.27 O ATOM 442 CB GLN A 264 1.997 32.435 -18.444 1.00 35.60 C ATOM 443 CG GLN A 264 1.855 30.909 -18.244 1.00 45.02 C ATOM 444 CD GLN A 264 3.128 30.104 -18.588 1.00 53.77 C ATOM 445 OE1 GLN A 264 3.918 30.484 -19.464 1.00 56.64 O ATOM 446 NE2 GLN A 264 3.320 28.986 -17.891 1.00 50.50 N ATOM 447 HE22 GLN A 264 2.633 28.702 -17.164 1.00 0.00 H ATOM 448 HE21 GLN A 264 4.157 28.397 -18.074 1.00 0.00 H ATOM 449 H GLN A 264 1.889 32.834 -15.881 1.00 0.00 H ATOM 450 N ALA A 265 2.701 35.508 -17.707 1.00 23.18 N ATOM 451 CA ALA A 265 2.879 36.879 -18.197 1.00 22.58 C ATOM 452 C ALA A 265 4.239 37.468 -17.812 1.00 35.01 C ATOM 453 O ALA A 265 4.856 38.188 -18.602 1.00 35.67 O ATOM 454 CB ALA A 265 1.745 37.781 -17.725 1.00 23.27 C ATOM 455 H ALA A 265 1.989 35.317 -16.973 1.00 0.00 H ATOM 456 N SER A 266 4.714 37.155 -16.610 1.00 30.58 N ATOM 457 CA SER A 266 6.041 37.596 -16.199 1.00 31.97 C ATOM 458 C SER A 266 7.132 36.965 -17.055 1.00 30.35 C ATOM 459 O SER A 266 8.043 37.658 -17.502 1.00 27.81 O ATOM 460 CB SER A 266 6.296 37.306 -14.719 1.00 33.77 C ATOM 461 OG SER A 266 5.432 38.090 -13.923 1.00 37.83 O ATOM 462 HG SER A 266 4.492 37.870 -14.143 1.00 0.00 H ATOM 463 H SER A 266 4.133 36.591 -15.957 1.00 0.00 H ATOM 464 N LEU A 267 7.047 35.654 -17.271 1.00 30.40 N ATOM 465 CA LEU A 267 7.985 34.975 -18.166 1.00 30.21 C ATOM 466 C LEU A 267 8.012 35.639 -19.544 1.00 34.14 C ATOM 467 O LEU A 267 9.081 35.901 -20.105 1.00 29.43 O ATOM 468 CB LEU A 267 7.608 33.504 -18.309 1.00 30.74 C ATOM 469 CG LEU A 267 7.666 32.686 -17.021 1.00 31.42 C ATOM 470 CD1 LEU A 267 7.247 31.242 -17.294 1.00 29.31 C ATOM 471 CD2 LEU A 267 9.077 32.752 -16.415 1.00 30.52 C ATOM 472 H LEU A 267 6.303 35.104 -16.796 1.00 0.00 H ATOM 473 N ALA A 268 6.823 35.913 -20.077 1.00 35.28 N ATOM 474 CA ALA A 268 6.684 36.562 -21.376 1.00 37.49 C ATOM 475 C ALA A 268 7.258 37.985 -21.412 1.00 36.35 C ATOM 476 O ALA A 268 7.600 38.483 -22.484 1.00 35.22 O ATOM 477 CB ALA A 268 5.225 36.559 -21.813 1.00 30.75 C ATOM 478 H ALA A 268 5.964 35.656 -19.549 1.00 0.00 H ATOM 479 N GLU A 269 7.348 38.636 -20.251 1.00 35.87 N ATOM 480 CA GLU A 269 8.003 39.942 -20.137 1.00 42.61 C ATOM 481 C GLU A 269 9.511 39.775 -20.156 1.00 36.28 C ATOM 482 O GLU A 269 10.248 40.745 -20.324 1.00 32.03 O ATOM 483 CB GLU A 269 7.663 40.617 -18.807 1.00 55.84 C ATOM 484 CG GLU A 269 6.360 41.389 -18.702 1.00 65.34 C ATOM 485 CD GLU A 269 6.134 41.888 -17.261 1.00 74.54 C ATOM 486 OE1 GLU A 269 6.547 41.178 -16.308 1.00 73.29 O ATOM 487 OE2 GLU A 269 5.568 42.992 -17.078 1.00 77.73 O ATOM 488 H GLU A 269 6.940 38.202 -19.398 1.00 0.00 H ATOM 489 N GLY A 270 9.970 38.549 -19.921 1.00 38.25 N ATOM 490 CA GLY A 270 11.394 38.268 -19.823 1.00 37.27 C ATOM 491 C GLY A 270 11.929 38.202 -18.396 1.00 30.74 C ATOM 492 O GLY A 270 13.143 38.220 -18.172 1.00 30.92 O ATOM 493 H GLY A 270 9.292 37.769 -19.804 1.00 0.00 H ATOM 494 N ASP A 271 11.029 38.134 -17.422 1.00 26.79 N ATOM 495 CA ASP A 271 11.452 37.947 -16.034 1.00 33.14 C ATOM 496 C ASP A 271 12.004 36.522 -15.849 1.00 31.59 C ATOM 497 O ASP A 271 11.599 35.590 -16.549 1.00 37.63 O ATOM 498 CB ASP A 271 10.286 38.222 -15.065 1.00 34.50 C ATOM 499 CG ASP A 271 9.876 39.712 -15.015 1.00 38.46 C ATOM 500 OD1 ASP A 271 10.731 40.599 -15.217 1.00 38.50 O ATOM 501 OD2 ASP A 271 8.685 40.006 -14.755 1.00 49.48 O ATOM 502 H ASP A 271 10.017 38.214 -17.647 1.00 0.00 H ATOM 503 N SER A 272 12.942 36.345 -14.931 1.00 28.21 N ATOM 504 CA SER A 272 13.348 34.988 -14.558 1.00 27.28 C ATOM 505 C SER A 272 12.172 34.340 -13.842 1.00 27.14 C ATOM 506 O SER A 272 11.273 35.041 -13.361 1.00 25.89 O ATOM 507 CB SER A 272 14.576 34.993 -13.642 1.00 26.40 C ATOM 508 OG SER A 272 14.252 35.458 -12.347 1.00 32.15 O ATOM 509 HG SER A 272 15.065 35.449 -11.782 1.00 0.00 H ATOM 510 H SER A 272 13.389 37.167 -14.476 1.00 0.00 H ATOM 511 N PRO A 273 12.141 32.999 -13.805 1.00 25.32 N ATOM 512 CA PRO A 273 11.069 32.303 -13.080 1.00 23.83 C ATOM 513 C PRO A 273 11.061 32.649 -11.595 1.00 29.11 C ATOM 514 O PRO A 273 9.985 32.751 -11.012 1.00 27.89 O ATOM 515 CB PRO A 273 11.407 30.820 -13.279 1.00 23.60 C ATOM 516 CG PRO A 273 12.833 30.796 -13.748 1.00 24.25 C ATOM 517 CD PRO A 273 13.000 32.058 -14.543 1.00 21.36 C ATOM 518 N GLN A 274 12.238 32.834 -10.998 1.00 31.34 N ATOM 519 CA GLN A 274 12.315 33.208 -9.592 1.00 30.11 C ATOM 520 C GLN A 274 11.615 34.545 -9.401 1.00 26.60 C ATOM 521 O GLN A 274 10.701 34.663 -8.588 1.00 28.17 O ATOM 522 CB GLN A 274 13.767 33.289 -9.125 1.00 29.48 C ATOM 523 CG GLN A 274 14.502 31.969 -9.113 1.00 25.98 C ATOM 524 CD GLN A 274 15.150 31.633 -10.437 1.00 32.33 C ATOM 525 OE1 GLN A 274 14.994 32.351 -11.427 1.00 36.93 O ATOM 526 NE2 GLN A 274 15.878 30.520 -10.467 1.00 29.33 N ATOM 527 HE22 GLN A 274 15.983 29.944 -9.608 1.00 0.00 H ATOM 528 HE21 GLN A 274 16.342 30.226 -11.350 1.00 0.00 H ATOM 529 H GLN A 274 13.114 32.710 -11.544 1.00 0.00 H ATOM 530 N CYS A 275 12.014 35.531 -10.198 1.00 27.39 N ATOM 531 CA CYS A 275 11.376 36.848 -10.202 1.00 33.76 C ATOM 532 C CYS A 275 9.855 36.784 -10.411 1.00 36.91 C ATOM 533 O CYS A 275 9.078 37.457 -9.711 1.00 30.19 O ATOM 534 CB CYS A 275 12.026 37.729 -11.271 1.00 31.66 C ATOM 535 SG CYS A 275 11.329 39.375 -11.425 1.00 51.61 S ATOM 536 H CYS A 275 12.811 35.360 -10.844 1.00 0.00 H ATOM 537 N ALA A 276 9.438 35.975 -11.381 1.00 34.16 N ATOM 538 CA ALA A 276 8.015 35.732 -11.628 1.00 32.15 C ATOM 539 C ALA A 276 7.273 35.196 -10.389 1.00 27.33 C ATOM 540 O ALA A 276 6.170 35.627 -10.099 1.00 23.01 O ATOM 541 CB ALA A 276 7.842 34.781 -12.816 1.00 35.97 C ATOM 542 H ALA A 276 10.143 35.501 -11.981 1.00 0.00 H ATOM 543 N LEU A 277 7.883 34.269 -9.651 1.00 25.75 N ATOM 544 CA LEU A 277 7.243 33.731 -8.446 1.00 28.05 C ATOM 545 C LEU A 277 7.085 34.817 -7.372 1.00 28.04 C ATOM 546 O LEU A 277 6.043 34.925 -6.722 1.00 24.42 O ATOM 547 CB LEU A 277 8.027 32.530 -7.902 1.00 27.72 C ATOM 548 CG LEU A 277 7.909 31.241 -8.711 1.00 25.62 C ATOM 549 CD1 LEU A 277 9.049 30.311 -8.404 1.00 24.92 C ATOM 550 CD2 LEU A 277 6.588 30.560 -8.401 1.00 29.35 C ATOM 551 H LEU A 277 8.823 33.923 -9.932 1.00 0.00 H ATOM 552 N ILE A 278 8.116 35.637 -7.200 1.00 23.42 N ATOM 553 CA ILE A 278 8.015 36.781 -6.304 1.00 26.51 C ATOM 554 C ILE A 278 6.930 37.766 -6.749 1.00 28.18 C ATOM 555 O ILE A 278 6.173 38.271 -5.929 1.00 34.86 O ATOM 556 CB ILE A 278 9.370 37.499 -6.165 1.00 34.00 C ATOM 557 CG1 ILE A 278 10.376 36.545 -5.529 1.00 30.94 C ATOM 558 CG2 ILE A 278 9.238 38.753 -5.288 1.00 33.27 C ATOM 559 CD1 ILE A 278 9.942 36.113 -4.144 1.00 26.94 C ATOM 560 H ILE A 278 9.005 35.460 -7.711 1.00 0.00 H ATOM 561 N GLN A 279 6.850 38.034 -8.048 1.00 38.24 N ATOM 562 CA GLN A 279 5.829 38.951 -8.565 1.00 37.02 C ATOM 563 C GLN A 279 4.415 38.471 -8.218 1.00 31.47 C ATOM 564 O GLN A 279 3.542 39.268 -7.886 1.00 34.79 O ATOM 565 CB GLN A 279 5.983 39.161 -10.076 1.00 39.09 C ATOM 566 CG GLN A 279 7.215 39.980 -10.493 1.00 51.12 C ATOM 567 CD GLN A 279 7.446 41.210 -9.613 1.00 66.86 C ATOM 568 OE1 GLN A 279 6.520 41.976 -9.330 1.00 73.34 O ATOM 569 NE2 GLN A 279 8.689 41.395 -9.169 1.00 69.30 N ATOM 570 HE22 GLN A 279 9.440 40.725 -9.431 1.00 0.00 H ATOM 571 HE21 GLN A 279 8.908 42.209 -8.560 1.00 0.00 H ATOM 572 H GLN A 279 7.520 37.588 -8.706 1.00 0.00 H ATOM 573 N ILE A 280 4.207 37.161 -8.282 1.00 26.01 N ATOM 574 CA ILE A 280 2.941 36.567 -7.866 1.00 31.89 C ATOM 575 C ILE A 280 2.590 36.959 -6.428 1.00 31.61 C ATOM 576 O ILE A 280 1.461 37.361 -6.147 1.00 36.01 O ATOM 577 CB ILE A 280 2.995 35.025 -7.987 1.00 31.29 C ATOM 578 CG1 ILE A 280 2.981 34.612 -9.458 1.00 28.05 C ATOM 579 CG2 ILE A 280 1.837 34.375 -7.228 1.00 22.59 C ATOM 580 CD1 ILE A 280 3.246 33.151 -9.651 1.00 32.28 C ATOM 581 H ILE A 280 4.965 36.544 -8.637 1.00 0.00 H ATOM 582 N THR A 281 3.564 36.871 -5.521 1.00 30.95 N ATOM 583 CA THR A 281 3.301 37.140 -4.107 1.00 30.10 C ATOM 584 C THR A 281 3.031 38.619 -3.898 1.00 34.64 C ATOM 585 O THR A 281 2.492 39.020 -2.865 1.00 37.19 O ATOM 586 CB THR A 281 4.477 36.759 -3.204 1.00 34.01 C ATOM 587 OG1 THR A 281 5.556 37.682 -3.419 1.00 42.71 O ATOM 588 CG2 THR A 281 4.943 35.324 -3.466 1.00 26.56 C ATOM 589 HG1 THR A 281 5.838 37.643 -4.367 1.00 0.00 H ATOM 590 H THR A 281 4.524 36.608 -5.823 1.00 0.00 H ATOM 591 N LYS A 282 3.411 39.432 -4.876 1.00 34.11 N ATOM 592 CA LYS A 282 3.211 40.878 -4.768 1.00 44.86 C ATOM 593 C LYS A 282 1.977 41.363 -5.522 1.00 42.72 C ATOM 594 O LYS A 282 1.390 42.375 -5.157 1.00 44.51 O ATOM 595 CB LYS A 282 4.461 41.640 -5.237 1.00 49.16 C ATOM 596 CG LYS A 282 5.532 41.798 -4.156 1.00 50.58 C ATOM 597 CD LYS A 282 6.949 41.837 -4.732 1.00 51.44 C ATOM 598 CE LYS A 282 7.993 42.050 -3.628 1.00 55.46 C ATOM 599 NZ LYS A 282 7.813 43.344 -2.885 1.00 54.47 N ATOM 600 HZ1 LYS A 282 7.893 44.139 -3.551 1.00 0.00 H ATOM 601 HZ2 LYS A 282 6.874 43.358 -2.438 1.00 0.00 H ATOM 602 HZ3 LYS A 282 8.548 43.428 -2.154 1.00 0.00 H ATOM 603 H LYS A 282 3.856 39.037 -5.729 1.00 0.00 H ATOM 604 N ARG A 283 1.568 40.636 -6.555 1.00 38.29 N ATOM 605 CA ARG A 283 0.490 41.118 -7.407 1.00 41.80 C ATOM 606 C ARG A 283 -0.831 40.329 -7.346 1.00 44.35 C ATOM 607 O ARG A 283 -1.899 40.879 -7.647 1.00 38.38 O ATOM 608 CB ARG A 283 0.987 41.251 -8.839 1.00 45.89 C ATOM 609 CG ARG A 283 2.120 42.261 -8.977 1.00 55.12 C ATOM 610 CD ARG A 283 2.368 42.584 -10.435 1.00 64.01 C ATOM 611 NE ARG A 283 2.576 41.362 -11.203 1.00 68.46 N ATOM 612 CZ ARG A 283 3.737 41.009 -11.740 1.00 69.92 C ATOM 613 NH1 ARG A 283 4.795 41.796 -11.611 1.00 67.62 N ATOM 614 NH2 ARG A 283 3.835 39.874 -12.417 1.00 73.65 N ATOM 615 HE ARG A 283 1.763 40.727 -11.338 1.00 0.00 H ATOM 616 HH12 ARG A 283 5.704 41.518 -12.032 1.00 0.00 H ATOM 617 HH11 ARG A 283 4.716 42.692 -11.088 1.00 0.00 H ATOM 618 HH22 ARG A 283 4.745 39.597 -12.838 1.00 0.00 H ATOM 619 HH21 ARG A 283 3.002 39.261 -12.527 1.00 0.00 H ATOM 620 H ARG A 283 2.018 39.720 -6.756 1.00 0.00 H ATOM 621 N VAL A 284 -0.777 39.055 -6.959 1.00 39.34 N ATOM 622 CA VAL A 284 -2.017 38.315 -6.741 1.00 36.01 C ATOM 623 C VAL A 284 -2.572 38.627 -5.352 1.00 35.41 C ATOM 624 O VAL A 284 -1.891 38.429 -4.355 1.00 33.18 O ATOM 625 CB VAL A 284 -1.852 36.813 -6.901 1.00 32.85 C ATOM 626 CG1 VAL A 284 -3.184 36.131 -6.600 1.00 27.82 C ATOM 627 CG2 VAL A 284 -1.336 36.469 -8.321 1.00 29.55 C ATOM 628 H VAL A 284 0.142 38.591 -6.813 1.00 0.00 H ATOM 629 N PRO A 285 -3.814 39.133 -5.292 1.00 39.84 N ATOM 630 CA PRO A 285 -4.446 39.697 -4.092 1.00 37.34 C ATOM 631 C PRO A 285 -4.379 38.843 -2.838 1.00 32.71 C ATOM 632 O PRO A 285 -4.277 39.397 -1.748 1.00 34.75 O ATOM 633 CB PRO A 285 -5.901 39.841 -4.520 1.00 42.28 C ATOM 634 CG PRO A 285 -5.812 40.126 -5.955 1.00 49.71 C ATOM 635 CD PRO A 285 -4.691 39.264 -6.467 1.00 47.29 C ATOM 636 N ILE A 286 -4.456 37.524 -2.974 1.00 39.25 N ATOM 637 CA ILE A 286 -4.475 36.647 -1.802 1.00 37.25 C ATOM 638 C ILE A 286 -3.150 36.605 -1.014 1.00 40.88 C ATOM 639 O ILE A 286 -3.137 36.223 0.150 1.00 44.18 O ATOM 640 CB ILE A 286 -4.921 35.219 -2.176 1.00 32.01 C ATOM 641 CG1 ILE A 286 -3.880 34.553 -3.070 1.00 35.57 C ATOM 642 CG2 ILE A 286 -6.265 35.253 -2.880 1.00 28.69 C ATOM 643 CD1 ILE A 286 -4.070 33.050 -3.198 1.00 38.48 C ATOM 644 H ILE A 286 -4.503 37.109 -3.926 1.00 0.00 H ATOM 645 N PHE A 287 -2.038 36.994 -1.632 1.00 36.11 N ATOM 646 CA PHE A 287 -0.763 37.004 -0.909 1.00 31.03 C ATOM 647 C PHE A 287 -0.392 38.356 -0.280 1.00 38.57 C ATOM 648 O PHE A 287 0.408 38.406 0.648 1.00 36.68 O ATOM 649 CB PHE A 287 0.361 36.558 -1.823 1.00 26.81 C ATOM 650 CG PHE A 287 0.119 35.244 -2.458 1.00 28.06 C ATOM 651 CD1 PHE A 287 0.150 34.086 -1.705 1.00 27.81 C ATOM 652 CD2 PHE A 287 -0.132 35.157 -3.809 1.00 28.63 C ATOM 653 CE1 PHE A 287 -0.083 32.854 -2.293 1.00 31.04 C ATOM 654 CE2 PHE A 287 -0.349 33.922 -4.407 1.00 37.27 C ATOM 655 CZ PHE A 287 -0.327 32.767 -3.641 1.00 30.14 C ATOM 656 H PHE A 287 -2.073 37.291 -2.628 1.00 0.00 H ATOM 657 N GLN A 288 -0.967 39.441 -0.790 1.00 40.17 N ATOM 658 CA GLN A 288 -0.673 40.784 -0.293 1.00 52.30 C ATOM 659 C GLN A 288 -1.058 40.982 1.191 1.00 54.44 C ATOM 660 O GLN A 288 -2.234 40.888 1.564 1.00 56.36 O ATOM 661 CB GLN A 288 -1.337 41.834 -1.201 1.00 56.00 C ATOM 662 CG GLN A 288 -0.833 41.778 -2.647 1.00 58.36 C ATOM 663 CD GLN A 288 -1.809 42.367 -3.665 1.00 58.16 C ATOM 664 OE1 GLN A 288 -2.780 43.052 -3.315 1.00 55.21 O ATOM 665 NE2 GLN A 288 -1.553 42.093 -4.939 1.00 54.95 N ATOM 666 HE22 GLN A 288 -0.727 41.514 -5.190 1.00 0.00 H ATOM 667 HE21 GLN A 288 -2.179 42.458 -5.685 1.00 0.00 H ATOM 668 H GLN A 288 -1.648 39.331 -1.568 1.00 0.00 H ATOM 669 N ASP A 289 -0.044 41.249 2.015 1.00 50.69 N ATOM 670 CA ASP A 289 -0.175 41.388 3.474 1.00 52.63 C ATOM 671 C ASP A 289 -0.549 40.097 4.184 1.00 46.54 C ATOM 672 O ASP A 289 -0.993 40.129 5.319 1.00 50.51 O ATOM 673 CB ASP A 289 -1.149 42.505 3.870 1.00 66.10 C ATOM 674 CG ASP A 289 -0.482 43.873 3.938 1.00 75.22 C ATOM 675 OD1 ASP A 289 0.177 44.167 4.963 1.00 78.64 O ATOM 676 OD2 ASP A 289 -0.631 44.658 2.977 1.00 74.85 O ATOM 677 H ASP A 289 0.902 41.367 1.599 1.00 0.00 H ATOM 678 N ALA A 290 -0.358 38.964 3.516 1.00 49.74 N ATOM 679 CA ALA A 290 -0.651 37.655 4.112 1.00 40.39 C ATOM 680 C ALA A 290 0.529 37.116 4.908 1.00 39.03 C ATOM 681 O ALA A 290 1.683 37.246 4.492 1.00 36.17 O ATOM 682 CB ALA A 290 -1.049 36.643 3.032 1.00 27.71 C ATOM 683 H ALA A 290 0.009 39.006 2.544 1.00 0.00 H ATOM 684 N ALA A 291 0.228 36.499 6.045 1.00 40.96 N ATOM 685 CA ALA A 291 1.236 35.830 6.845 1.00 37.65 C ATOM 686 C ALA A 291 1.599 34.540 6.136 1.00 35.18 C ATOM 687 O ALA A 291 0.784 33.982 5.407 1.00 34.37 O ATOM 688 CB ALA A 291 0.694 35.536 8.246 1.00 42.63 C ATOM 689 H ALA A 291 -0.759 36.495 6.371 1.00 0.00 H ATOM 690 N PRO A 292 2.837 34.074 6.323 1.00 33.33 N ATOM 691 CA PRO A 292 3.222 32.782 5.754 1.00 37.65 C ATOM 692 C PRO A 292 2.461 31.652 6.436 1.00 36.16 C ATOM 693 O PRO A 292 2.100 31.772 7.599 1.00 44.01 O ATOM 694 CB PRO A 292 4.726 32.692 6.061 1.00 32.17 C ATOM 695 CG PRO A 292 4.950 33.630 7.175 1.00 26.61 C ATOM 696 CD PRO A 292 3.963 34.743 6.988 1.00 27.27 C ATOM 697 N PRO A 293 2.196 30.569 5.703 1.00 33.81 N ATOM 698 CA PRO A 293 1.514 29.432 6.318 1.00 28.64 C ATOM 699 C PRO A 293 2.446 28.699 7.273 1.00 34.00 C ATOM 700 O PRO A 293 3.663 28.721 7.091 1.00 31.76 O ATOM 701 CB PRO A 293 1.167 28.535 5.126 1.00 22.81 C ATOM 702 CG PRO A 293 2.137 28.947 4.031 1.00 24.76 C ATOM 703 CD PRO A 293 2.428 30.394 4.257 1.00 24.98 C ATOM 704 N VAL A 294 1.862 28.063 8.281 1.00 37.19 N ATOM 705 CA VAL A 294 2.593 27.212 9.209 1.00 36.78 C ATOM 706 C VAL A 294 2.516 25.761 8.734 1.00 38.11 C ATOM 707 O VAL A 294 1.436 25.262 8.390 1.00 38.65 O ATOM 708 CB VAL A 294 1.967 27.306 10.625 1.00 33.92 C ATOM 709 CG1 VAL A 294 2.650 26.349 11.589 1.00 37.71 C ATOM 710 CG2 VAL A 294 2.025 28.740 11.134 1.00 25.70 C ATOM 711 H VAL A 294 0.837 28.178 8.414 1.00 0.00 H ATOM 712 N ILE A 295 3.654 25.077 8.718 1.00 38.34 N ATOM 713 CA ILE A 295 3.677 23.682 8.287 1.00 37.82 C ATOM 714 C ILE A 295 4.308 22.802 9.360 1.00 37.27 C ATOM 715 O ILE A 295 5.492 22.936 9.661 1.00 38.03 O ATOM 716 CB ILE A 295 4.461 23.513 6.972 1.00 33.95 C ATOM 717 CG1 ILE A 295 3.896 24.416 5.876 1.00 32.59 C ATOM 718 CG2 ILE A 295 4.451 22.050 6.519 1.00 33.92 C ATOM 719 CD1 ILE A 295 4.612 24.228 4.501 1.00 23.50 C ATOM 720 H ILE A 295 4.537 25.539 9.015 1.00 0.00 H ATOM 721 N HIS A 296 3.517 21.907 9.939 1.00 39.76 N ATOM 722 CA HIS A 296 4.006 21.068 11.040 1.00 44.86 C ATOM 723 C HIS A 296 4.841 19.894 10.529 1.00 40.74 C ATOM 724 O HIS A 296 4.363 19.073 9.747 1.00 41.48 O ATOM 725 CB HIS A 296 2.848 20.566 11.916 1.00 50.09 C ATOM 726 CG HIS A 296 2.109 21.660 12.627 1.00 64.70 C ATOM 727 ND1 HIS A 296 0.953 22.226 12.128 1.00 71.35 N ATOM 728 CD2 HIS A 296 2.364 22.297 13.795 1.00 67.48 C ATOM 729 CE1 HIS A 296 0.526 23.158 12.963 1.00 72.32 C ATOM 730 NE2 HIS A 296 1.368 23.226 13.979 1.00 70.00 N ATOM 731 H HIS A 296 2.537 21.799 9.608 1.00 0.00 H ATOM 732 N ILE A 297 6.094 19.828 10.967 1.00 39.61 N ATOM 733 CA ILE A 297 6.998 18.743 10.591 1.00 40.15 C ATOM 734 C ILE A 297 7.589 18.130 11.860 1.00 39.74 C ATOM 735 O ILE A 297 7.593 18.777 12.912 1.00 40.10 O ATOM 736 CB ILE A 297 8.141 19.268 9.715 1.00 42.33 C ATOM 737 CG1 ILE A 297 9.025 20.225 10.517 1.00 38.68 C ATOM 738 CG2 ILE A 297 7.585 19.979 8.494 1.00 44.08 C ATOM 739 CD1 ILE A 297 9.926 21.074 9.668 1.00 34.14 C ATOM 740 H ILE A 297 6.444 20.575 11.600 1.00 0.00 H ATOM 741 N ARG A 298 8.072 16.891 11.772 1.00 43.23 N ATOM 742 CA ARG A 298 8.714 16.244 12.917 1.00 51.43 C ATOM 743 C ARG A 298 9.982 16.985 13.319 1.00 63.89 C ATOM 744 O ARG A 298 10.050 17.587 14.396 1.00 69.57 O ATOM 745 CB ARG A 298 9.045 14.779 12.631 1.00 55.61 C ATOM 746 CG ARG A 298 7.913 13.811 12.907 1.00 70.00 C ATOM 747 CD ARG A 298 8.364 12.378 12.647 1.00 84.64 C ATOM 748 NE ARG A 298 9.080 12.283 11.377 1.00 90.22 N ATOM 749 CZ ARG A 298 9.639 11.175 10.905 1.00 89.15 C ATOM 750 NH1 ARG A 298 9.570 10.046 11.599 1.00 87.44 N ATOM 751 NH2 ARG A 298 10.270 11.204 9.735 1.00 87.71 N ATOM 752 HE ARG A 298 9.157 13.146 10.801 1.00 0.00 H ATOM 753 HH12 ARG A 298 10.009 9.179 11.227 1.00 0.00 H ATOM 754 HH11 ARG A 298 9.077 10.028 12.515 1.00 0.00 H ATOM 755 HH22 ARG A 298 10.710 10.339 9.360 1.00 0.00 H ATOM 756 HH21 ARG A 298 10.324 12.091 9.195 1.00 0.00 H ATOM 757 H ARG A 298 7.991 16.374 10.873 1.00 0.00 H ATOM 758 N SER A 299 10.986 16.954 12.446 1.00 62.70 N ATOM 759 CA SER A 299 12.260 17.588 12.755 1.00 58.71 C ATOM 760 C SER A 299 12.773 18.484 11.638 1.00 53.76 C ATOM 761 O SER A 299 12.149 18.641 10.590 1.00 54.70 O ATOM 762 CB SER A 299 13.319 16.536 13.059 1.00 57.02 C ATOM 763 OG SER A 299 13.822 15.996 11.853 1.00 58.96 O ATOM 764 HG SER A 299 14.509 15.314 12.059 1.00 0.00 H ATOM 765 H SER A 299 10.859 16.472 11.533 1.00 0.00 H ATOM 766 N ARG A 300 13.941 19.055 11.882 1.00 49.58 N ATOM 767 CA ARG A 300 14.596 19.924 10.928 1.00 47.71 C ATOM 768 C ARG A 300 15.110 19.121 9.734 1.00 44.87 C ATOM 769 O ARG A 300 15.244 19.642 8.624 1.00 45.85 O ATOM 770 CB ARG A 300 15.737 20.665 11.628 1.00 48.83 C ATOM 771 CG ARG A 300 16.682 21.367 10.700 1.00 45.05 C ATOM 772 CD ARG A 300 17.072 22.702 11.246 1.00 42.97 C ATOM 773 NE ARG A 300 17.897 23.413 10.285 1.00 49.98 N ATOM 774 CZ ARG A 300 18.584 24.513 10.553 1.00 47.81 C ATOM 775 NH1 ARG A 300 18.550 25.046 11.770 1.00 50.62 N ATOM 776 NH2 ARG A 300 19.307 25.074 9.598 1.00 46.23 N ATOM 777 HE ARG A 300 17.952 23.032 9.319 1.00 0.00 H ATOM 778 HH12 ARG A 300 19.092 25.910 11.975 1.00 0.00 H ATOM 779 HH11 ARG A 300 17.982 24.599 12.518 1.00 0.00 H ATOM 780 HH22 ARG A 300 19.851 25.938 9.797 1.00 0.00 H ATOM 781 HH21 ARG A 300 19.332 24.651 8.648 1.00 0.00 H ATOM 782 H ARG A 300 14.406 18.872 12.794 1.00 0.00 H ATOM 783 N GLY A 301 15.375 17.841 9.960 1.00 43.45 N ATOM 784 CA GLY A 301 15.810 16.967 8.888 1.00 44.37 C ATOM 785 C GLY A 301 14.789 16.786 7.777 1.00 47.70 C ATOM 786 O GLY A 301 15.157 16.488 6.647 1.00 51.66 O ATOM 787 H GLY A 301 15.269 17.458 10.921 1.00 0.00 H ATOM 788 N ASP A 302 13.506 16.966 8.088 1.00 52.20 N ATOM 789 CA ASP A 302 12.439 16.782 7.099 1.00 51.15 C ATOM 790 C ASP A 302 12.432 17.905 6.057 1.00 46.90 C ATOM 791 O ASP A 302 11.788 17.804 5.014 1.00 41.70 O ATOM 792 CB ASP A 302 11.075 16.712 7.788 1.00 52.34 C ATOM 793 CG ASP A 302 11.000 15.612 8.831 1.00 65.74 C ATOM 794 OD1 ASP A 302 11.383 14.460 8.533 1.00 69.63 O ATOM 795 OD2 ASP A 302 10.561 15.906 9.963 1.00 73.95 O ATOM 796 H ASP A 302 13.255 17.244 9.058 1.00 0.00 H ATOM 797 N ILE A 303 13.144 18.981 6.362 1.00 46.62 N ATOM 798 CA ILE A 303 13.288 20.108 5.456 1.00 42.76 C ATOM 799 C ILE A 303 14.354 19.788 4.409 1.00 41.46 C ATOM 800 O ILE A 303 15.408 19.246 4.736 1.00 47.91 O ATOM 801 CB ILE A 303 13.657 21.377 6.248 1.00 41.88 C ATOM 802 CG1 ILE A 303 12.586 21.637 7.311 1.00 40.73 C ATOM 803 CG2 ILE A 303 13.852 22.573 5.321 1.00 35.45 C ATOM 804 CD1 ILE A 303 12.810 22.885 8.143 1.00 39.81 C ATOM 805 H ILE A 303 13.618 19.020 7.287 1.00 0.00 H ATOM 806 N PRO A 304 14.061 20.086 3.136 1.00 37.95 N ATOM 807 CA PRO A 304 14.985 19.825 2.024 1.00 39.95 C ATOM 808 C PRO A 304 16.367 20.469 2.213 1.00 34.84 C ATOM 809 O PRO A 304 16.468 21.602 2.680 1.00 36.82 O ATOM 810 CB PRO A 304 14.255 20.435 0.829 1.00 43.69 C ATOM 811 CG PRO A 304 12.800 20.276 1.176 1.00 42.26 C ATOM 812 CD PRO A 304 12.737 20.525 2.662 1.00 39.99 C ATOM 813 N ARG A 305 17.409 19.724 1.857 1.00 30.58 N ATOM 814 CA ARG A 305 18.800 20.125 2.030 1.00 39.87 C ATOM 815 C ARG A 305 19.075 21.509 1.450 1.00 43.78 C ATOM 816 O ARG A 305 19.741 22.346 2.074 1.00 44.23 O ATOM 817 CB ARG A 305 19.709 19.085 1.366 1.00 45.44 C ATOM 818 CG ARG A 305 21.203 19.371 1.445 1.00 51.32 C ATOM 819 CD ARG A 305 21.982 18.267 0.742 1.00 58.40 C ATOM 820 NE ARG A 305 23.378 18.618 0.491 1.00 66.72 N ATOM 821 CZ ARG A 305 24.245 17.827 -0.143 1.00 79.08 C ATOM 822 NH1 ARG A 305 23.861 16.635 -0.591 1.00 81.92 N ATOM 823 NH2 ARG A 305 25.501 18.222 -0.328 1.00 81.51 N ATOM 824 HE ARG A 305 23.717 19.542 0.828 1.00 0.00 H ATOM 825 HH12 ARG A 305 24.540 16.022 -1.085 1.00 0.00 H ATOM 826 HH11 ARG A 305 22.881 16.316 -0.448 1.00 0.00 H ATOM 827 HH22 ARG A 305 26.174 17.602 -0.823 1.00 0.00 H ATOM 828 HH21 ARG A 305 25.811 19.151 0.022 1.00 0.00 H ATOM 829 H ARG A 305 17.220 18.796 1.428 1.00 0.00 H ATOM 830 N ALA A 306 18.536 21.741 0.258 1.00 40.34 N ATOM 831 CA ALA A 306 18.709 22.995 -0.452 1.00 32.92 C ATOM 832 C ALA A 306 17.965 24.154 0.225 1.00 38.06 C ATOM 833 O ALA A 306 18.109 25.309 -0.172 1.00 42.42 O ATOM 834 CB ALA A 306 18.255 22.828 -1.886 1.00 26.23 C ATOM 835 H ALA A 306 17.966 20.992 -0.185 1.00 0.00 H ATOM 836 N CYS A 307 17.183 23.850 1.257 1.00 36.38 N ATOM 837 CA CYS A 307 16.428 24.872 1.973 1.00 29.76 C ATOM 838 C CYS A 307 17.073 25.227 3.310 1.00 33.90 C ATOM 839 O CYS A 307 16.771 26.268 3.898 1.00 34.40 O ATOM 840 CB CYS A 307 15.004 24.394 2.232 1.00 29.33 C ATOM 841 SG CYS A 307 13.810 24.805 0.949 1.00 32.90 S ATOM 842 H CYS A 307 17.108 22.858 1.561 1.00 0.00 H ATOM 843 N GLN A 308 17.953 24.347 3.780 1.00 29.01 N ATOM 844 CA GLN A 308 18.507 24.429 5.128 1.00 29.61 C ATOM 845 C GLN A 308 19.161 25.765 5.446 1.00 34.55 C ATOM 846 O GLN A 308 19.035 26.258 6.560 1.00 39.35 O ATOM 847 CB GLN A 308 19.517 23.301 5.385 1.00 29.11 C ATOM 848 CG GLN A 308 18.912 21.908 5.505 1.00 34.05 C ATOM 849 CD GLN A 308 18.048 21.723 6.736 1.00 36.96 C ATOM 850 OE1 GLN A 308 18.341 22.260 7.803 1.00 39.39 O ATOM 851 NE2 GLN A 308 16.979 20.944 6.595 1.00 37.08 N ATOM 852 HE22 GLN A 308 16.770 20.510 5.673 1.00 0.00 H ATOM 853 HE21 GLN A 308 16.353 20.769 7.406 1.00 0.00 H ATOM 854 H GLN A 308 18.259 23.569 3.162 1.00 0.00 H ATOM 855 N LYS A 309 19.867 26.348 4.486 1.00 33.27 N ATOM 856 CA LYS A 309 20.547 27.611 4.750 1.00 29.92 C ATOM 857 C LYS A 309 19.614 28.811 4.624 1.00 29.02 C ATOM 858 O LYS A 309 20.002 29.929 4.926 1.00 35.51 O ATOM 859 CB LYS A 309 21.780 27.771 3.854 1.00 28.75 C ATOM 860 CG LYS A 309 22.886 26.771 4.199 1.00 31.95 C ATOM 861 CD LYS A 309 24.168 27.074 3.457 1.00 35.96 C ATOM 862 CE LYS A 309 25.192 25.971 3.645 1.00 43.78 C ATOM 863 NZ LYS A 309 24.846 24.796 2.805 1.00 55.34 N ATOM 864 HZ1 LYS A 309 23.908 24.439 3.079 1.00 0.00 H ATOM 865 HZ2 LYS A 309 24.831 25.079 1.804 1.00 0.00 H ATOM 866 HZ3 LYS A 309 25.557 24.050 2.945 1.00 0.00 H ATOM 867 H LYS A 309 19.935 25.905 3.547 1.00 0.00 H ATOM 868 N SER A 310 18.386 28.580 4.178 1.00 32.46 N ATOM 869 CA SER A 310 17.428 29.666 4.036 1.00 31.33 C ATOM 870 C SER A 310 16.490 29.771 5.253 1.00 31.00 C ATOM 871 O SER A 310 15.530 30.555 5.250 1.00 30.16 O ATOM 872 CB SER A 310 16.615 29.472 2.758 1.00 29.57 C ATOM 873 OG SER A 310 17.457 29.296 1.627 1.00 37.80 O ATOM 874 HG SER A 310 16.900 29.173 0.818 1.00 0.00 H ATOM 875 H SER A 310 18.105 27.611 3.927 1.00 0.00 H ATOM 876 N LEU A 311 16.758 28.972 6.283 1.00 23.84 N ATOM 877 CA LEU A 311 15.902 28.939 7.478 1.00 29.86 C ATOM 878 C LEU A 311 16.363 29.977 8.494 1.00 32.90 C ATOM 879 O LEU A 311 17.559 30.155 8.688 1.00 33.15 O ATOM 880 CB LEU A 311 15.908 27.542 8.100 1.00 23.33 C ATOM 881 CG LEU A 311 15.333 26.487 7.141 1.00 31.03 C ATOM 882 CD1 LEU A 311 15.665 25.072 7.593 1.00 27.75 C ATOM 883 CD2 LEU A 311 13.819 26.666 6.988 1.00 25.12 C ATOM 884 H LEU A 311 17.594 28.355 6.242 1.00 0.00 H ATOM 885 N ARG A 312 15.422 30.682 9.116 1.00 26.52 N ATOM 886 CA ARG A 312 15.762 31.772 10.029 1.00 31.21 C ATOM 887 C ARG A 312 14.800 31.764 11.196 1.00 32.52 C ATOM 888 O ARG A 312 13.695 31.220 11.079 1.00 31.35 O ATOM 889 CB ARG A 312 15.644 33.143 9.330 1.00 28.15 C ATOM 890 CG ARG A 312 16.376 33.278 8.016 1.00 26.06 C ATOM 891 CD ARG A 312 17.887 33.272 8.188 1.00 38.19 C ATOM 892 NE ARG A 312 18.544 32.645 7.037 1.00 48.22 N ATOM 893 CZ ARG A 312 18.785 33.262 5.881 1.00 45.86 C ATOM 894 NH1 ARG A 312 18.426 34.529 5.711 1.00 47.27 N ATOM 895 NH2 ARG A 312 19.379 32.611 4.890 1.00 40.83 N ATOM 896 HE ARG A 312 18.842 31.653 7.129 1.00 0.00 H ATOM 897 HH12 ARG A 312 18.616 35.007 4.807 1.00 0.00 H ATOM 898 HH11 ARG A 312 17.955 35.044 6.482 1.00 0.00 H ATOM 899 HH22 ARG A 312 19.566 33.095 3.989 1.00 0.00 H ATOM 900 HH21 ARG A 312 19.658 31.617 5.014 1.00 0.00 H ATOM 901 H ARG A 312 14.421 30.453 8.949 1.00 0.00 H ATOM 902 N PRO A 313 15.201 32.381 12.325 1.00 32.50 N ATOM 903 CA PRO A 313 14.242 32.682 13.398 1.00 27.40 C ATOM 904 C PRO A 313 13.029 33.411 12.823 1.00 36.75 C ATOM 905 O PRO A 313 13.180 34.194 11.888 1.00 40.06 O ATOM 906 CB PRO A 313 15.019 33.634 14.292 1.00 24.66 C ATOM 907 CG PRO A 313 16.443 33.210 14.126 1.00 25.41 C ATOM 908 CD PRO A 313 16.574 32.774 12.682 1.00 23.32 C ATOM 909 N VAL A 314 11.845 33.149 13.357 1.00 34.57 N ATOM 910 CA VAL A 314 10.665 33.875 12.915 1.00 35.81 C ATOM 911 C VAL A 314 10.597 35.274 13.514 1.00 37.78 C ATOM 912 O VAL A 314 10.583 35.427 14.728 1.00 42.30 O ATOM 913 CB VAL A 314 9.394 33.123 13.285 1.00 36.18 C ATOM 914 CG1 VAL A 314 8.171 33.781 12.611 1.00 28.54 C ATOM 915 CG2 VAL A 314 9.531 31.679 12.845 1.00 37.88 C ATOM 916 H VAL A 314 11.759 32.421 14.095 1.00 0.00 H ATOM 917 N PRO A 315 10.556 36.304 12.655 1.00 39.76 N ATOM 918 CA PRO A 315 10.437 37.692 13.120 1.00 42.67 C ATOM 919 C PRO A 315 9.023 37.943 13.658 1.00 49.17 C ATOM 920 O PRO A 315 8.158 37.080 13.487 1.00 47.11 O ATOM 921 CB PRO A 315 10.679 38.495 11.840 1.00 41.02 C ATOM 922 CG PRO A 315 10.166 37.608 10.748 1.00 36.94 C ATOM 923 CD PRO A 315 10.480 36.202 11.185 1.00 37.17 C ATOM 924 N PRO A 316 8.792 39.097 14.315 1.00 51.68 N ATOM 925 CA PRO A 316 7.465 39.412 14.856 1.00 49.06 C ATOM 926 C PRO A 316 6.317 39.234 13.864 1.00 49.37 C ATOM 927 O PRO A 316 5.403 38.468 14.171 1.00 58.72 O ATOM 928 CB PRO A 316 7.600 40.884 15.275 1.00 40.14 C ATOM 929 CG PRO A 316 9.015 40.995 15.686 1.00 44.11 C ATOM 930 CD PRO A 316 9.792 40.097 14.732 1.00 48.78 C ATOM 931 N SER A 317 6.355 39.904 12.714 1.00 38.99 N ATOM 932 CA SER A 317 5.231 39.844 11.773 1.00 42.02 C ATOM 933 C SER A 317 5.665 39.455 10.362 1.00 40.63 C ATOM 934 O SER A 317 5.721 40.303 9.473 1.00 40.92 O ATOM 935 CB SER A 317 4.528 41.200 11.711 1.00 50.78 C ATOM 936 OG SER A 317 4.341 41.739 13.008 1.00 61.69 O ATOM 937 HG SER A 317 3.885 42.615 12.938 1.00 0.00 H ATOM 938 H SER A 317 7.191 40.476 12.480 1.00 0.00 H ATOM 939 N PRO A 318 5.965 38.171 10.143 1.00 34.59 N ATOM 940 CA PRO A 318 6.448 37.775 8.820 1.00 31.69 C ATOM 941 C PRO A 318 5.326 37.830 7.762 1.00 33.85 C ATOM 942 O PRO A 318 4.169 37.550 8.056 1.00 34.22 O ATOM 943 CB PRO A 318 6.926 36.348 9.047 1.00 25.98 C ATOM 944 CG PRO A 318 6.025 35.839 10.127 1.00 29.12 C ATOM 945 CD PRO A 318 5.798 37.018 11.044 1.00 33.61 C ATOM 946 N LYS A 319 5.686 38.230 6.550 1.00 28.95 N ATOM 947 CA LYS A 319 4.743 38.376 5.448 1.00 35.85 C ATOM 948 C LYS A 319 5.320 37.691 4.207 1.00 31.83 C ATOM 949 O LYS A 319 6.522 37.778 3.928 1.00 26.28 O ATOM 950 CB LYS A 319 4.490 39.860 5.145 1.00 39.79 C ATOM 951 CG LYS A 319 3.906 40.664 6.297 1.00 41.92 C ATOM 952 CD LYS A 319 2.442 40.314 6.519 1.00 48.03 C ATOM 953 CE LYS A 319 1.757 41.308 7.445 1.00 53.64 C ATOM 954 NZ LYS A 319 2.450 41.409 8.759 1.00 59.68 N ATOM 955 HZ1 LYS A 319 2.450 40.478 9.222 1.00 0.00 H ATOM 956 HZ2 LYS A 319 3.430 41.723 8.609 1.00 0.00 H ATOM 957 HZ3 LYS A 319 1.952 42.096 9.360 1.00 0.00 H ATOM 958 H LYS A 319 6.688 38.450 6.378 1.00 0.00 H ATOM 959 N ILE A 320 4.458 36.999 3.480 1.00 30.59 N ATOM 960 CA ILE A 320 4.847 36.318 2.254 1.00 35.89 C ATOM 961 C ILE A 320 5.427 37.278 1.212 1.00 37.95 C ATOM 962 O ILE A 320 6.418 36.967 0.563 1.00 37.03 O ATOM 963 CB ILE A 320 3.638 35.588 1.648 1.00 32.01 C ATOM 964 CG1 ILE A 320 3.149 34.517 2.620 1.00 26.71 C ATOM 965 CG2 ILE A 320 3.996 34.988 0.300 1.00 27.42 C ATOM 966 CD1 ILE A 320 1.980 33.717 2.099 1.00 30.37 C ATOM 967 H ILE A 320 3.469 36.940 3.795 1.00 0.00 H ATOM 968 N ASP A 321 4.820 38.456 1.079 1.00 47.33 N ATOM 969 CA ASP A 321 5.250 39.433 0.081 1.00 48.00 C ATOM 970 C ASP A 321 6.502 40.199 0.505 1.00 42.89 C ATOM 971 O ASP A 321 6.976 41.076 -0.216 1.00 38.85 O ATOM 972 CB ASP A 321 4.110 40.394 -0.278 1.00 52.30 C ATOM 973 CG ASP A 321 3.581 41.144 0.919 1.00 57.46 C ATOM 974 OD1 ASP A 321 3.878 40.711 2.050 1.00 58.73 O ATOM 975 OD2 ASP A 321 2.864 42.157 0.729 1.00 60.13 O ATOM 976 H ASP A 321 4.019 38.686 1.701 1.00 0.00 H ATOM 977 N ARG A 322 7.035 39.863 1.675 1.00 40.29 N ATOM 978 CA ARG A 322 8.339 40.370 2.083 1.00 38.62 C ATOM 979 C ARG A 322 9.390 39.238 2.126 1.00 44.11 C ATOM 980 O ARG A 322 10.497 39.416 2.630 1.00 43.63 O ATOM 981 CB ARG A 322 8.237 41.142 3.402 1.00 42.21 C ATOM 982 CG ARG A 322 7.457 42.460 3.273 1.00 55.22 C ATOM 983 CD ARG A 322 7.293 43.191 4.612 1.00 67.90 C ATOM 984 NE ARG A 322 6.306 44.279 4.571 1.00 76.36 N ATOM 985 CZ ARG A 322 6.611 45.577 4.521 1.00 82.59 C ATOM 986 NH1 ARG A 322 7.881 45.960 4.501 1.00 85.85 N ATOM 987 NH2 ARG A 322 5.648 46.495 4.495 1.00 80.40 N ATOM 988 HE ARG A 322 5.299 44.019 4.582 1.00 0.00 H ATOM 989 HH12 ARG A 322 8.118 46.972 4.462 1.00 0.00 H ATOM 990 HH11 ARG A 322 8.639 45.248 4.524 1.00 0.00 H ATOM 991 HH22 ARG A 322 5.893 47.505 4.456 1.00 0.00 H ATOM 992 HH21 ARG A 322 4.650 46.203 4.514 1.00 0.00 H ATOM 993 H ARG A 322 6.512 39.227 2.311 1.00 0.00 H ATOM 994 N GLY A 323 9.038 38.077 1.571 1.00 45.97 N ATOM 995 CA GLY A 323 10.004 37.013 1.348 1.00 33.94 C ATOM 996 C GLY A 323 9.891 35.805 2.264 1.00 35.53 C ATOM 997 O GLY A 323 10.583 34.800 2.060 1.00 39.54 O ATOM 998 H GLY A 323 8.047 37.929 1.291 1.00 0.00 H ATOM 999 N TRP A 324 9.030 35.891 3.276 1.00 29.76 N ATOM 1000 CA TRP A 324 8.846 34.777 4.203 1.00 24.67 C ATOM 1001 C TRP A 324 7.883 33.766 3.617 1.00 30.02 C ATOM 1002 O TRP A 324 6.672 33.994 3.587 1.00 35.75 O ATOM 1003 CB TRP A 324 8.367 35.278 5.554 1.00 24.45 C ATOM 1004 CG TRP A 324 9.382 36.142 6.211 1.00 27.25 C ATOM 1005 CD1 TRP A 324 9.462 37.501 6.152 1.00 29.04 C ATOM 1006 CD2 TRP A 324 10.489 35.710 7.009 1.00 30.76 C ATOM 1007 NE1 TRP A 324 10.536 37.950 6.884 1.00 32.01 N ATOM 1008 CE2 TRP A 324 11.188 36.870 7.418 1.00 35.29 C ATOM 1009 CE3 TRP A 324 10.963 34.460 7.413 1.00 33.92 C ATOM 1010 CZ2 TRP A 324 12.336 36.813 8.214 1.00 31.68 C ATOM 1011 CZ3 TRP A 324 12.099 34.408 8.220 1.00 32.80 C ATOM 1012 CH2 TRP A 324 12.766 35.577 8.611 1.00 29.45 C ATOM 1013 HE1 TRP A 324 10.808 38.946 7.011 1.00 0.00 H ATOM 1014 H TRP A 324 8.480 36.764 3.408 1.00 0.00 H ATOM 1015 N VAL A 325 8.439 32.654 3.142 1.00 29.79 N ATOM 1016 CA VAL A 325 7.699 31.692 2.331 1.00 24.14 C ATOM 1017 C VAL A 325 6.765 30.849 3.161 1.00 28.99 C ATOM 1018 O VAL A 325 5.612 30.633 2.795 1.00 30.87 O ATOM 1019 CB VAL A 325 8.659 30.751 1.587 1.00 25.08 C ATOM 1020 CG1 VAL A 325 7.883 29.656 0.853 1.00 22.87 C ATOM 1021 CG2 VAL A 325 9.514 31.544 0.626 1.00 21.72 C ATOM 1022 H VAL A 325 9.439 32.463 3.357 1.00 0.00 H ATOM 1023 N CYS A 326 7.276 30.349 4.277 1.00 29.22 N ATOM 1024 CA CYS A 326 6.454 29.575 5.177 1.00 30.15 C ATOM 1025 C CYS A 326 7.142 29.536 6.524 1.00 36.53 C ATOM 1026 O CYS A 326 8.306 29.909 6.646 1.00 37.26 O ATOM 1027 CB CYS A 326 6.224 28.156 4.632 1.00 30.95 C ATOM 1028 SG CYS A 326 7.723 27.139 4.418 1.00 33.28 S ATOM 1029 H CYS A 326 8.277 30.515 4.506 1.00 0.00 H ATOM 1030 N VAL A 327 6.404 29.121 7.541 1.00 39.09 N ATOM 1031 CA VAL A 327 6.996 28.850 8.832 1.00 34.34 C ATOM 1032 C VAL A 327 6.891 27.357 9.078 1.00 30.62 C ATOM 1033 O VAL A 327 5.809 26.786 8.957 1.00 41.69 O ATOM 1034 CB VAL A 327 6.290 29.642 9.957 1.00 36.09 C ATOM 1035 CG1 VAL A 327 6.709 29.138 11.322 1.00 27.96 C ATOM 1036 CG2 VAL A 327 6.624 31.114 9.833 1.00 38.85 C ATOM 1037 H VAL A 327 5.381 28.988 7.409 1.00 0.00 H ATOM 1038 N PHE A 328 8.016 26.714 9.382 1.00 29.64 N ATOM 1039 CA PHE A 328 7.990 25.323 9.847 1.00 33.73 C ATOM 1040 C PHE A 328 7.854 25.231 11.376 1.00 38.76 C ATOM 1041 O PHE A 328 8.674 25.769 12.122 1.00 40.88 O ATOM 1042 CB PHE A 328 9.228 24.567 9.366 1.00 32.67 C ATOM 1043 CG PHE A 328 9.305 24.430 7.868 1.00 34.68 C ATOM 1044 CD1 PHE A 328 10.212 25.184 7.129 1.00 31.48 C ATOM 1045 CD2 PHE A 328 8.461 23.552 7.196 1.00 34.84 C ATOM 1046 CE1 PHE A 328 10.271 25.060 5.759 1.00 34.09 C ATOM 1047 CE2 PHE A 328 8.515 23.420 5.820 1.00 33.95 C ATOM 1048 CZ PHE A 328 9.415 24.175 5.098 1.00 33.13 C ATOM 1049 H PHE A 328 8.928 27.205 9.288 1.00 0.00 H ATOM 1050 N GLN A 329 6.803 24.566 11.842 1.00 37.32 N ATOM 1051 CA GLN A 329 6.669 24.274 13.265 1.00 29.47 C ATOM 1052 C GLN A 329 7.166 22.856 13.505 1.00 39.05 C ATOM 1053 O GLN A 329 6.630 21.898 12.939 1.00 46.84 O ATOM 1054 CB GLN A 329 5.206 24.394 13.702 1.00 36.73 C ATOM 1055 CG GLN A 329 4.947 24.058 15.162 1.00 49.49 C ATOM 1056 CD GLN A 329 4.905 25.290 16.046 1.00 59.75 C ATOM 1057 OE1 GLN A 329 4.416 26.349 15.635 1.00 60.88 O ATOM 1058 NE2 GLN A 329 5.425 25.161 17.268 1.00 63.83 N ATOM 1059 HE22 GLN A 329 5.825 24.250 17.569 1.00 0.00 H ATOM 1060 HE21 GLN A 329 5.430 25.972 17.919 1.00 0.00 H ATOM 1061 H GLN A 329 6.064 24.249 11.182 1.00 0.00 H ATOM 1062 N LEU A 330 8.188 22.712 14.340 1.00 42.06 N ATOM 1063 CA LEU A 330 8.740 21.389 14.628 1.00 44.46 C ATOM 1064 C LEU A 330 8.069 20.780 15.857 1.00 50.21 C ATOM 1065 O LEU A 330 7.503 21.501 16.683 1.00 49.90 O ATOM 1066 CB LEU A 330 10.255 21.455 14.833 1.00 41.74 C ATOM 1067 CG LEU A 330 11.188 21.652 13.638 1.00 43.90 C ATOM 1068 CD1 LEU A 330 10.965 22.982 12.943 1.00 38.35 C ATOM 1069 CD2 LEU A 330 12.631 21.542 14.096 1.00 47.52 C ATOM 1070 H LEU A 330 8.601 23.551 14.795 1.00 0.00 H ATOM 1071 N GLN A 331 8.147 19.454 15.970 1.00 54.99 N ATOM 1072 CA GLN A 331 7.498 18.707 17.048 1.00 62.08 C ATOM 1073 C GLN A 331 7.734 19.281 18.441 1.00 58.29 C ATOM 1074 O GLN A 331 6.793 19.446 19.218 1.00 59.17 O ATOM 1075 CB GLN A 331 7.942 17.240 17.038 1.00 71.84 C ATOM 1076 CG GLN A 331 7.174 16.354 16.079 1.00 79.38 C ATOM 1077 CD GLN A 331 5.691 16.287 16.396 1.00 87.35 C ATOM 1078 OE1 GLN A 331 4.847 16.429 15.505 1.00 91.94 O ATOM 1079 NE2 GLN A 331 5.364 16.058 17.667 1.00 85.70 N ATOM 1080 HE22 GLN A 331 6.109 15.945 18.383 1.00 0.00 H ATOM 1081 HE21 GLN A 331 4.363 15.992 17.943 1.00 0.00 H ATOM 1082 H GLN A 331 8.694 18.927 15.260 1.00 0.00 H ATOM 1083 N ASP A 332 8.988 19.585 18.756 1.00 52.19 N ATOM 1084 CA ASP A 332 9.333 19.987 20.113 1.00 52.63 C ATOM 1085 C ASP A 332 9.097 21.474 20.374 1.00 45.80 C ATOM 1086 O ASP A 332 9.520 22.012 21.396 1.00 40.52 O ATOM 1087 CB ASP A 332 10.770 19.583 20.443 1.00 62.04 C ATOM 1088 CG ASP A 332 11.780 20.231 19.524 1.00 73.83 C ATOM 1089 OD1 ASP A 332 11.362 20.872 18.531 1.00 70.31 O ATOM 1090 OD2 ASP A 332 12.994 20.096 19.796 1.00 83.23 O ATOM 1091 H ASP A 332 9.729 19.536 18.028 1.00 0.00 H ATOM 1092 N GLY A 333 8.424 22.146 19.451 1.00 46.15 N ATOM 1093 CA GLY A 333 8.015 23.513 19.707 1.00 43.33 C ATOM 1094 C GLY A 333 8.853 24.541 18.989 1.00 40.64 C ATOM 1095 O GLY A 333 8.484 25.711 18.934 1.00 47.46 O ATOM 1096 H GLY A 333 8.190 21.693 18.544 1.00 0.00 H ATOM 1097 N LYS A 334 9.985 24.103 18.450 1.00 41.48 N ATOM 1098 CA LYS A 334 10.882 24.975 17.706 1.00 38.18 C ATOM 1099 C LYS A 334 10.184 25.445 16.441 1.00 39.83 C ATOM 1100 O LYS A 334 9.451 24.681 15.820 1.00 50.44 O ATOM 1101 CB LYS A 334 12.174 24.229 17.341 1.00 43.87 C ATOM 1102 CG LYS A 334 12.986 23.723 18.538 1.00 50.37 C ATOM 1103 CD LYS A 334 14.320 23.145 18.108 1.00 54.20 C ATOM 1104 CE LYS A 334 14.128 21.855 17.325 1.00 67.17 C ATOM 1105 NZ LYS A 334 15.283 21.481 16.432 1.00 69.85 N ATOM 1106 HZ1 LYS A 334 15.439 22.236 15.734 1.00 0.00 H ATOM 1107 HZ2 LYS A 334 16.140 21.358 17.009 1.00 0.00 H ATOM 1108 HZ3 LYS A 334 15.065 20.591 15.939 1.00 0.00 H ATOM 1109 H LYS A 334 10.240 23.101 18.564 1.00 0.00 H ATOM 1110 N THR A 335 10.404 26.698 16.058 1.00 32.64 N ATOM 1111 CA THR A 335 9.894 27.199 14.788 1.00 35.58 C ATOM 1112 C THR A 335 11.006 27.836 13.952 1.00 36.78 C ATOM 1113 O THR A 335 11.936 28.437 14.492 1.00 41.65 O ATOM 1114 CB THR A 335 8.747 28.227 14.974 1.00 40.03 C ATOM 1115 OG1 THR A 335 9.198 29.319 15.787 1.00 46.63 O ATOM 1116 CG2 THR A 335 7.537 27.581 15.628 1.00 39.30 C ATOM 1117 HG1 THR A 335 9.477 28.976 16.673 1.00 0.00 H ATOM 1118 H THR A 335 10.950 27.333 16.675 1.00 0.00 H ATOM 1119 N LEU A 336 10.890 27.703 12.634 1.00 32.15 N ATOM 1120 CA LEU A 336 11.821 28.307 11.682 1.00 37.32 C ATOM 1121 C LEU A 336 11.079 28.807 10.451 1.00 33.57 C ATOM 1122 O LEU A 336 10.259 28.091 9.881 1.00 37.51 O ATOM 1123 CB LEU A 336 12.894 27.303 11.251 1.00 34.09 C ATOM 1124 CG LEU A 336 13.911 26.965 12.340 1.00 32.71 C ATOM 1125 CD1 LEU A 336 14.614 25.677 11.993 1.00 35.23 C ATOM 1126 CD2 LEU A 336 14.911 28.115 12.516 1.00 23.79 C ATOM 1127 H LEU A 336 10.098 27.141 12.262 1.00 0.00 H ATOM 1128 N GLY A 337 11.371 30.038 10.046 1.00 30.55 N ATOM 1129 CA GLY A 337 10.779 30.607 8.854 1.00 24.37 C ATOM 1130 C GLY A 337 11.712 30.369 7.685 1.00 30.57 C ATOM 1131 O GLY A 337 12.929 30.269 7.850 1.00 27.37 O ATOM 1132 H GLY A 337 12.042 30.608 10.600 1.00 0.00 H ATOM 1133 N LEU A 338 11.142 30.264 6.496 1.00 31.62 N ATOM 1134 CA LEU A 338 11.939 30.089 5.291 1.00 28.56 C ATOM 1135 C LEU A 338 11.961 31.432 4.564 1.00 27.39 C ATOM 1136 O LEU A 338 10.915 32.022 4.283 1.00 31.87 O ATOM 1137 CB LEU A 338 11.325 28.993 4.422 1.00 24.38 C ATOM 1138 CG LEU A 338 12.001 28.658 3.096 1.00 25.21 C ATOM 1139 CD1 LEU A 338 13.410 28.192 3.355 1.00 30.98 C ATOM 1140 CD2 LEU A 338 11.226 27.547 2.470 1.00 23.39 C ATOM 1141 H LEU A 338 10.106 30.307 6.421 1.00 0.00 H ATOM 1142 N LYS A 339 13.150 31.934 4.276 1.00 31.05 N ATOM 1143 CA LYS A 339 13.261 33.303 3.799 1.00 30.13 C ATOM 1144 C LYS A 339 13.830 33.338 2.397 1.00 28.96 C ATOM 1145 O LYS A 339 14.718 32.566 2.080 1.00 33.14 O ATOM 1146 CB LYS A 339 14.152 34.108 4.752 1.00 28.86 C ATOM 1147 CG LYS A 339 14.396 35.546 4.334 1.00 31.74 C ATOM 1148 CD LYS A 339 13.169 36.401 4.495 1.00 34.69 C ATOM 1149 CE LYS A 339 13.513 37.879 4.396 1.00 41.34 C ATOM 1150 NZ LYS A 339 13.946 38.284 3.029 1.00 45.84 N ATOM 1151 HZ1 LYS A 339 14.792 37.743 2.760 1.00 0.00 H ATOM 1152 HZ2 LYS A 339 13.180 38.091 2.353 1.00 0.00 H ATOM 1153 HZ3 LYS A 339 14.167 39.300 3.023 1.00 0.00 H ATOM 1154 H LYS A 339 14.004 31.351 4.390 1.00 0.00 H ATOM 1155 N ILE A 340 13.283 34.225 1.567 1.00 29.41 N ATOM 1156 CA ILE A 340 13.867 34.594 0.283 1.00 34.30 C ATOM 1157 C ILE A 340 14.140 36.119 0.176 1.00 48.59 C ATOM 1158 O ILE A 340 13.317 36.972 0.533 1.00 46.35 O ATOM 1159 CB ILE A 340 12.977 34.149 -0.888 1.00 37.46 C ATOM 1160 CG1 ILE A 340 12.851 32.627 -0.908 1.00 41.93 C ATOM 1161 CG2 ILE A 340 13.546 34.654 -2.206 1.00 37.14 C ATOM 1162 CD1 ILE A 340 12.049 32.103 -2.089 1.00 41.14 C ATOM 1163 OXT ILE A 340 15.204 36.563 -0.279 1.00 43.11 O ATOM 1164 H ILE A 340 12.391 34.679 1.850 1.00 0.00 H TER 1165 ILE A 340 HETATM 1166 O HOH 1 15.405 27.034 -7.613 1.00 22.67 O HETATM 1167 O HOH 2 9.071 28.180 19.895 1.00 30.97 O HETATM 1168 O HOH 3 17.082 32.081 0.916 1.00 30.11 O HETATM 1169 O HOH 4 14.128 38.597 -13.915 1.00 37.88 O HETATM 1170 O HOH 5 0.731 21.481 8.532 1.00 45.18 O HETATM 1171 O HOH 6 -8.305 25.985 -11.307 1.00 42.73 O HETATM 1172 O HOH 7 6.257 35.726 14.806 1.00 44.66 O HETATM 1173 O HOH 8 23.311 23.123 5.519 1.00 46.52 O HETATM 1174 O HOH 9 -11.605 27.438 -8.821 1.00 44.62 O HETATM 1175 O HOH 10 -5.992 21.227 -7.661 1.00 37.36 O HETATM 1176 O HOH 11 2.628 38.722 -14.164 1.00 34.73 O HETATM 1177 O HOH 12 3.227 32.857 10.302 1.00 45.61 O HETATM 1178 O HOH 13 -0.825 35.374 -19.203 1.00 30.49 O HETATM 1179 O HOH 14 7.573 40.356 6.764 1.00 44.19 O HETATM 1180 O HOH 15 10.368 29.613 18.490 1.00 39.03 O HETATM 1181 O HOH 16 5.022 32.734 -21.009 1.00 36.59 O HETATM 1182 O HOH 17 -8.397 27.305 -8.761 1.00 35.87 O HETATM 1183 O HOH 18 -0.902 31.301 9.428 1.00 53.26 O HETATM 1184 O HOH 19 11.356 20.012 -4.568 1.00 42.56 O HETATM 1185 O HOH 20 16.429 29.670 -8.017 1.00 36.77 O HETATM 1186 O HOH 21 17.321 31.590 -13.230 1.00 48.22 O HETATM 1187 O HOH 22 17.100 27.804 -0.970 1.00 38.64 O HETATM 1188 O HOH 23 -3.289 39.428 -9.757 1.00 42.28 O HETATM 1189 O HOH 24 -0.678 23.747 6.269 1.00 49.62 O HETATM 1190 O HOH 25 -1.546 31.443 5.496 1.00 49.76 O HETATM 1191 O HOH 26 9.097 42.987 -21.539 1.00 47.52 O HETATM 1192 O HOH 27 7.603 32.665 16.283 1.00 52.98 O HETATM 1193 O HOH 28 1.236 26.343 -19.499 1.00 46.08 O HETATM 1194 O HOH 29 -1.228 28.699 8.678 1.00 34.02 O HETATM 1195 O HOH 30 -1.952 25.753 4.862 1.00 45.69 O HETATM 1196 O HOH 31 11.407 34.786 -19.124 1.00 25.34 O HETATM 1197 O HOH 32 12.006 31.261 15.616 1.00 28.63 O HETATM 1198 O HOH 33 5.201 27.151 -19.251 1.00 40.59 O HETATM 1199 O HOH 34 19.264 22.717 -12.479 1.00 41.17 O HETATM 1200 O HOH 35 3.540 40.040 -20.560 1.00 42.04 O HETATM 1201 O HOH 36 -8.426 33.294 -10.919 1.00 34.61 O HETATM 1202 O HOH 37 19.367 21.862 -5.804 1.00 31.46 O HETATM 1203 O HOH 38 12.397 32.687 -18.567 1.00 40.64 O HETATM 1204 O HOH 39 2.326 38.252 10.024 1.00 40.33 O HETATM 1205 O HOH 40 20.729 25.184 1.927 1.00 46.15 O HETATM 1206 O HOH 41 -6.315 27.095 -15.988 1.00 40.91 O HETATM 1207 O HOH 42 8.881 18.960 0.653 1.00 55.22 O HETATM 1208 O HOH 43 6.973 28.300 -21.437 1.00 57.35 O HETATM 1209 O HOH 44 -0.872 23.228 10.176 1.00 58.51 O HETATM 1210 O HOH 45 -3.678 18.954 -7.474 1.00 42.52 O HETATM 1211 O HOH 46 -7.153 36.589 -6.360 1.00 41.68 O HETATM 1212 O HOH 47 4.493 19.274 14.346 1.00 58.16 O HETATM 1213 O HOH 48 9.783 39.449 -1.478 1.00 43.60 O HETATM 1214 O HOH 49 1.309 24.748 17.500 1.00 48.16 O HETATM 1215 O HOH 50 8.122 21.032 -0.785 1.00 59.90 O HETATM 1216 OAA UNN A 51 -4.761 19.890 -3.152 1.00 -0.57 O HETATM 1217 CAS UNN A 51 -3.649 20.395 -3.451 1.00 0.04 C HETATM 1218 OAD UNN A 51 -3.033 19.998 -4.476 1.00 -0.57 O HETATM 1219 CAP UNN A 51 -3.063 21.452 -2.577 1.00 0.03 C HETATM 1220 CAZ UNN A 51 -1.838 21.077 -1.815 1.00 -0.04 C HETATM 1221 CAJ UNN A 51 -0.599 21.574 -2.199 1.00 -0.07 C HETATM 1222 CAM UNN A 51 0.540 21.219 -1.491 1.00 -0.05 C HETATM 1223 CBB UNN A 51 0.440 20.364 -0.401 1.00 0.07 C HETATM 1224 CAL UNN A 51 -0.801 19.873 -0.015 1.00 -0.05 C HETATM 1225 CAI UNN A 51 -1.941 20.223 -0.726 1.00 -0.07 C HETATM 1226 H5 UNN A 51 -2.908 19.831 -0.432 1.00 0.05 H HETATM 1227 H6 UNN A 51 -0.879 19.215 0.843 1.00 0.05 H HETATM 1228 NBE UNN A 51 1.621 20.013 0.331 1.00 -0.20 N HETATM 1229 CBD UNN A 51 2.555 20.907 0.678 1.00 0.14 C HETATM 1230 CBC UNN A 51 2.057 21.980 1.565 1.00 0.05 C HETATM 1231 SAQ UNN A 51 1.447 21.671 3.095 1.00 -0.03 S HETATM 1232 CAN UNN A 51 1.043 23.233 3.557 1.00 -0.01 C HETATM 1233 CAX UNN A 51 1.406 24.031 2.461 1.00 -0.02 C HETATM 1234 BRA UNN A 51 1.171 25.946 2.481 1.00 -0.08 BR HETATM 1235 CAO UNN A 51 1.970 23.353 1.344 1.00 -0.07 C HETATM 1236 H9 UNN A 51 2.294 23.847 0.429 1.00 0.03 H HETATM 1237 H8 UNN A 51 0.598 23.555 4.497 1.00 0.07 H HETATM 1238 CAW UNN A 51 3.656 20.219 1.167 1.00 0.09 C HETATM 1239 CAU UNN A 51 3.288 18.861 1.189 1.00 0.19 C HETATM 1240 CAV UNN A 51 1.999 18.777 0.654 1.00 0.27 C HETATM 1241 OAC UNN A 51 1.236 17.649 0.466 1.00 -0.37 O HETATM 1242 OAE UNN A 51 4.048 17.799 1.620 1.00 -0.32 O HETATM 1243 H10 UNN A 51 4.884 18.118 1.939 1.00 0.25 H HETATM 1244 CAT UNN A 51 4.854 20.931 1.732 1.00 0.15 C HETATM 1245 OAB UNN A 51 5.109 22.070 1.361 1.00 -0.39 O HETATM 1246 CBA UNN A 51 5.773 20.340 2.741 1.00 0.08 C HETATM 1247 SAR UNN A 51 7.347 20.876 3.023 1.00 -0.02 S HETATM 1248 CAY UNN A 51 7.761 19.795 4.247 1.00 0.10 C HETATM 1249 CLA UNN A 51 9.284 19.726 5.056 1.00 -0.05 CL HETATM 1250 CAH UNN A 51 6.641 18.973 4.481 1.00 -0.05 C HETATM 1251 CAK UNN A 51 5.528 19.285 3.641 1.00 -0.06 C HETATM 1252 H12 UNN A 51 4.578 18.756 3.692 1.00 0.05 H HETATM 1253 H11 UNN A 51 6.625 18.180 5.227 1.00 0.04 H HETATM 1254 H7 UNN A 51 2.878 21.409 -0.246 1.00 0.09 H HETATM 1255 H4 UNN A 51 1.507 21.608 -1.788 1.00 0.05 H HETATM 1256 H3 UNN A 51 -0.522 22.239 -3.052 1.00 0.05 H HETATM 1257 H1 UNN A 51 -3.832 21.749 -1.849 1.00 0.06 H HETATM 1258 H2 UNN A 51 -2.810 22.312 -3.215 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1216 1217 CONECT 1217 1216 1218 1219 CONECT 1218 1217 CONECT 1219 1217 1220 1257 1258 CONECT 1220 1219 1221 1225 CONECT 1221 1220 1222 1256 CONECT 1222 1221 1223 1255 CONECT 1223 1222 1224 1228 CONECT 1224 1223 1225 1227 CONECT 1225 1220 1224 1226 CONECT 1226 1225 CONECT 1227 1224 CONECT 1228 1223 1229 1240 CONECT 1229 1228 1230 1238 1254 CONECT 1230 1229 1231 1235 CONECT 1231 1230 1232 CONECT 1232 1231 1233 1237 CONECT 1233 1232 1234 1235 CONECT 1234 1233 CONECT 1235 1230 1233 1236 CONECT 1236 1235 CONECT 1237 1232 CONECT 1238 1229 1239 1244 CONECT 1239 1238 1240 1242 CONECT 1240 1228 1239 1241 CONECT 1241 1240 CONECT 1242 1239 1243 CONECT 1243 1242 CONECT 1244 1238 1245 1246 CONECT 1245 1244 CONECT 1246 1244 1247 1251 CONECT 1247 1246 1248 CONECT 1248 1247 1249 1250 CONECT 1249 1248 CONECT 1250 1248 1251 1253 CONECT 1251 1246 1250 1252 CONECT 1252 1251 CONECT 1253 1250 CONECT 1254 1229 CONECT 1255 1222 CONECT 1256 1221 CONECT 1257 1219 CONECT 1258 1219 MASTER 0 0 0 0 0 0 0 0 1257 1 47 10 END
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Related entries of code: 4ibf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3l25
RCSB PDB
PDBbind
129aa, >3L25_1|Chains... *
4ibb
RCSB PDB
PDBbind
129aa, >4IBB_1|Chains... at 100%
4ibc
RCSB PDB
PDBbind
129aa, >4IBC_1|Chains... at 100%
4ibd
RCSB PDB
PDBbind
129aa, >4IBD_1|Chains... at 100%
4ibe
RCSB PDB
PDBbind
129aa, >4IBE_1|Chains... at 100%
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
4ibf
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Polymerase cofactor Ebola virus VP35
Ligand Name
1D5
EC.Number
E.C.-.-.-.-
Resolution
2.29(Å)
Affinity (Kd/Ki/IC50)
Kd=36.8uM
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
1
H
1
3
BrClNO
5
S
2
Molecular Weight
538.819
Exact Mass
536.911
No. of atoms
44
No. of bonds
47
Polar Surface Area
151.39
LOGP Value
6.84 (
Computed with XLOGP3
)
5.70 (
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)N1[C@@H](c2scc(c2)Br)C(=C(C1=O)O)C(=O)c1ccc(s1)Cl
InChI String
InChI=1S/C21H13BrClNO5S2/c22-11-8-14(30-9-11)18-17(19(27)13-5-6-15(23)31-13)20(28)21(29)24(18)12-3-1-10(2-4-12)7-16(25)26/h1-6,8-9,18,28H,7H2,(H,25,26)/t18-/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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times since Nov 2007.
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