Browse entries in the PDBbind-CN Database
HEADER 4IBI_COMPLEX COMPND 4IBI_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 259 52 ATOM 1 N ASP A 218 -9.935 21.998 -15.742 1.00 33.55 N ATOM 2 CA ASP A 218 -9.240 23.057 -15.013 1.00 25.79 C ATOM 3 C ASP A 218 -7.882 22.587 -14.502 1.00 27.19 C ATOM 4 O ASP A 218 -7.712 21.417 -14.151 1.00 42.89 O ATOM 5 CB ASP A 218 -10.089 23.559 -13.841 1.00 41.40 C ATOM 6 CG ASP A 218 -11.348 24.274 -14.294 1.00 36.08 C ATOM 7 OD1 ASP A 218 -11.411 24.672 -15.476 1.00 40.50 O ATOM 8 OD2 ASP A 218 -12.270 24.439 -13.467 1.00 45.95 O ATOM 9 HN3 ASP A 218 -10.084 21.185 -15.111 1.00 0.00 H ATOM 10 HN2 ASP A 218 -9.360 21.705 -16.557 1.00 0.00 H ATOM 11 HN1 ASP A 218 -10.854 22.353 -16.074 1.00 0.00 H ATOM 12 N ILE A 219 -6.919 23.503 -14.460 1.00 24.15 N ATOM 13 CA ILE A 219 -5.602 23.194 -13.913 1.00 31.19 C ATOM 14 C ILE A 219 -5.699 22.873 -12.424 1.00 33.04 C ATOM 15 O ILE A 219 -6.411 23.546 -11.673 1.00 28.08 O ATOM 16 CB ILE A 219 -4.594 24.343 -14.159 1.00 28.99 C ATOM 17 CG1 ILE A 219 -3.200 23.958 -13.659 1.00 41.83 C ATOM 18 CG2 ILE A 219 -5.076 25.650 -13.527 1.00 32.31 C ATOM 19 CD1 ILE A 219 -2.102 24.873 -14.146 1.00 43.24 C ATOM 20 H ILE A 219 -7.108 24.459 -14.824 1.00 0.00 H ATOM 21 N SER A 220 -5.000 21.824 -12.005 1.00 24.88 N ATOM 22 CA SER A 220 -5.025 21.410 -10.613 1.00 19.36 C ATOM 23 C SER A 220 -3.798 21.910 -9.876 1.00 17.36 C ATOM 24 O SER A 220 -2.844 22.399 -10.489 1.00 19.02 O ATOM 25 CB SER A 220 -5.069 19.888 -10.523 1.00 21.57 C ATOM 26 OG SER A 220 -3.821 19.328 -10.916 1.00 22.77 O ATOM 27 HG SER A 220 -3.623 19.589 -11.850 1.00 0.00 H ATOM 28 H SER A 220 -4.424 21.289 -12.686 1.00 0.00 H ATOM 29 N ALA A 221 -3.810 21.791 -8.552 1.00 17.47 N ATOM 30 CA ALA A 221 -2.657 22.222 -7.778 1.00 16.07 C ATOM 31 C ALA A 221 -1.402 21.421 -8.147 1.00 16.16 C ATOM 32 O ALA A 221 -0.313 21.998 -8.270 1.00 15.66 O ATOM 33 CB ALA A 221 -2.942 22.156 -6.288 1.00 16.83 C ATOM 34 H ALA A 221 -4.641 21.391 -8.072 1.00 0.00 H ATOM 35 N LYS A 222 -1.571 20.108 -8.322 1.00 18.18 N ATOM 36 CA LYS A 222 -0.478 19.218 -8.751 1.00 21.29 C ATOM 37 C LYS A 222 0.070 19.610 -10.122 1.00 18.96 C ATOM 38 O LYS A 222 1.285 19.771 -10.292 1.00 17.28 O ATOM 39 CB LYS A 222 -0.922 17.753 -8.761 1.00 35.68 C ATOM 40 CG LYS A 222 0.171 16.788 -9.229 1.00 23.33 C ATOM 41 CD LYS A 222 -0.253 15.322 -9.057 1.00 26.81 C ATOM 42 CE LYS A 222 0.958 14.407 -8.948 1.00 46.70 C ATOM 43 NZ LYS A 222 1.701 14.284 -10.229 1.00 60.80 N ATOM 44 HZ1 LYS A 222 1.070 13.893 -10.958 1.00 0.00 H ATOM 45 HZ2 LYS A 222 2.036 15.223 -10.526 1.00 0.00 H ATOM 46 HZ3 LYS A 222 2.515 13.650 -10.097 1.00 0.00 H ATOM 47 H LYS A 222 -2.511 19.698 -8.149 1.00 0.00 H ATOM 48 N ASP A 223 -0.831 19.780 -11.090 1.00 19.65 N ATOM 49 CA ASP A 223 -0.435 20.251 -12.419 1.00 27.18 C ATOM 50 C ASP A 223 0.381 21.550 -12.387 1.00 19.16 C ATOM 51 O ASP A 223 1.417 21.656 -13.040 1.00 19.20 O ATOM 52 CB ASP A 223 -1.667 20.447 -13.302 1.00 26.61 C ATOM 53 CG ASP A 223 -2.404 19.153 -13.580 1.00 48.16 C ATOM 54 OD1 ASP A 223 -1.787 18.073 -13.481 1.00 50.76 O ATOM 55 OD2 ASP A 223 -3.607 19.223 -13.906 1.00 46.39 O ATOM 56 H ASP A 223 -1.832 19.575 -10.898 1.00 0.00 H ATOM 57 N LEU A 224 -0.094 22.544 -11.647 1.00 14.28 N ATOM 58 CA LEU A 224 0.607 23.805 -11.608 1.00 15.50 C ATOM 59 C LEU A 224 1.954 23.670 -10.915 1.00 15.92 C ATOM 60 O LEU A 224 2.950 24.258 -11.357 1.00 13.01 O ATOM 61 CB LEU A 224 -0.250 24.879 -10.932 1.00 14.51 C ATOM 62 CG LEU A 224 0.348 26.294 -10.882 1.00 14.70 C ATOM 63 CD1 LEU A 224 0.697 26.804 -12.282 1.00 18.57 C ATOM 64 CD2 LEU A 224 -0.647 27.223 -10.205 1.00 18.75 C ATOM 65 H LEU A 224 -0.968 22.415 -11.098 1.00 0.00 H ATOM 66 N ARG A 225 1.976 22.937 -9.808 1.00 12.48 N ATOM 67 CA ARG A 225 3.231 22.599 -9.130 1.00 12.56 C ATOM 68 C ARG A 225 4.255 22.015 -10.097 1.00 14.05 C ATOM 69 O ARG A 225 5.420 22.431 -10.106 1.00 15.79 O ATOM 70 CB ARG A 225 2.992 21.603 -7.982 1.00 17.25 C ATOM 71 CG ARG A 225 4.272 21.239 -7.226 1.00 19.06 C ATOM 72 CD ARG A 225 4.100 19.946 -6.433 1.00 24.37 C ATOM 73 NE ARG A 225 4.200 18.773 -7.293 1.00 47.44 N ATOM 74 CZ ARG A 225 3.865 17.542 -6.921 1.00 59.83 C ATOM 75 NH1 ARG A 225 3.390 17.319 -5.702 1.00 44.63 N ATOM 76 NH2 ARG A 225 3.996 16.536 -7.772 1.00 59.00 N ATOM 77 HE ARG A 225 4.557 18.908 -8.260 1.00 0.00 H ATOM 78 HH12 ARG A 225 3.129 16.354 -5.414 1.00 0.00 H ATOM 79 HH11 ARG A 225 3.279 18.109 -5.035 1.00 0.00 H ATOM 80 HH22 ARG A 225 3.734 15.572 -7.482 1.00 0.00 H ATOM 81 HH21 ARG A 225 4.361 16.710 -8.730 1.00 0.00 H ATOM 82 H ARG A 225 1.078 22.593 -9.411 1.00 0.00 H ATOM 83 N ASN A 226 3.830 21.053 -10.911 1.00 14.71 N ATOM 84 CA ASN A 226 4.756 20.411 -11.844 1.00 15.87 C ATOM 85 C ASN A 226 5.200 21.346 -12.967 1.00 14.89 C ATOM 86 O ASN A 226 6.387 21.362 -13.355 1.00 17.58 O ATOM 87 CB ASN A 226 4.146 19.126 -12.429 1.00 18.33 C ATOM 88 CG ASN A 226 4.063 17.983 -11.420 1.00 29.99 C ATOM 89 OD1 ASN A 226 4.828 17.917 -10.460 1.00 24.04 O ATOM 90 ND2 ASN A 226 3.137 17.062 -11.655 1.00 22.23 N ATOM 91 HD22 ASN A 226 2.509 17.154 -12.479 1.00 0.00 H ATOM 92 HD21 ASN A 226 3.039 16.248 -11.015 1.00 0.00 H ATOM 93 H ASN A 226 2.834 20.755 -10.884 1.00 0.00 H ATOM 94 N ILE A 227 4.260 22.158 -13.461 1.00 18.48 N ATOM 95 CA ILE A 227 4.590 23.168 -14.465 1.00 13.45 C ATOM 96 C ILE A 227 5.667 24.124 -13.944 1.00 13.13 C ATOM 97 O ILE A 227 6.651 24.408 -14.639 1.00 17.89 O ATOM 98 CB ILE A 227 3.345 23.990 -14.870 1.00 18.96 C ATOM 99 CG1 ILE A 227 2.472 23.190 -15.841 1.00 18.68 C ATOM 100 CG2 ILE A 227 3.751 25.335 -15.483 1.00 23.14 C ATOM 101 CD1 ILE A 227 1.051 23.703 -15.947 1.00 21.76 C ATOM 102 H ILE A 227 3.279 22.070 -13.126 1.00 0.00 H ATOM 103 N MET A 228 5.493 24.598 -12.710 1.00 13.29 N ATOM 104 CA MET A 228 6.442 25.515 -12.101 1.00 14.00 C ATOM 105 C MET A 228 7.779 24.858 -11.808 1.00 15.97 C ATOM 106 O MET A 228 8.825 25.440 -12.071 1.00 13.39 O ATOM 107 CB MET A 228 5.840 26.112 -10.835 1.00 12.32 C ATOM 108 CG MET A 228 4.752 27.140 -11.159 1.00 16.02 C ATOM 109 SD MET A 228 3.913 27.727 -9.680 1.00 15.30 S ATOM 110 CE MET A 228 3.085 29.194 -10.285 1.00 14.39 C ATOM 111 H MET A 228 4.655 24.304 -12.168 1.00 0.00 H ATOM 112 N TYR A 229 7.743 23.631 -11.290 1.00 12.44 N ATOM 113 CA TYR A 229 8.952 22.888 -10.986 1.00 13.47 C ATOM 114 C TYR A 229 9.780 22.728 -12.251 1.00 21.80 C ATOM 115 O TYR A 229 11.010 22.793 -12.197 1.00 20.21 O ATOM 116 CB TYR A 229 8.621 21.485 -10.456 1.00 14.53 C ATOM 117 CG TYR A 229 8.348 21.387 -8.966 1.00 14.66 C ATOM 118 CD1 TYR A 229 8.155 22.520 -8.185 1.00 13.98 C ATOM 119 CD2 TYR A 229 8.285 20.143 -8.343 1.00 21.08 C ATOM 120 CE1 TYR A 229 7.909 22.412 -6.815 1.00 17.93 C ATOM 121 CE2 TYR A 229 8.042 20.028 -6.978 1.00 26.19 C ATOM 122 CZ TYR A 229 7.849 21.171 -6.221 1.00 19.68 C ATOM 123 OH TYR A 229 7.608 21.054 -4.862 1.00 24.69 O ATOM 124 HH TYR A 229 8.374 20.600 -4.430 1.00 0.00 H ATOM 125 H TYR A 229 6.820 23.192 -11.098 1.00 0.00 H ATOM 126 N ASP A 230 9.092 22.525 -13.379 1.00 18.64 N ATOM 127 CA ASP A 230 9.753 22.321 -14.671 1.00 25.03 C ATOM 128 C ASP A 230 10.711 23.457 -15.012 1.00 16.53 C ATOM 129 O ASP A 230 11.683 23.268 -15.743 1.00 22.96 O ATOM 130 CB ASP A 230 8.720 22.183 -15.798 1.00 24.79 C ATOM 131 CG ASP A 230 8.085 20.807 -15.853 1.00 30.70 C ATOM 132 OD1 ASP A 230 8.528 19.915 -15.098 1.00 26.48 O ATOM 133 OD2 ASP A 230 7.151 20.615 -16.665 1.00 41.63 O ATOM 134 H ASP A 230 8.053 22.511 -13.338 1.00 0.00 H ATOM 135 N HIS A 231 10.429 24.639 -14.483 1.00 14.94 N ATOM 136 CA HIS A 231 11.225 25.816 -14.805 1.00 17.72 C ATOM 137 C HIS A 231 12.346 26.110 -13.803 1.00 16.54 C ATOM 138 O HIS A 231 13.184 26.978 -14.051 1.00 22.02 O ATOM 139 CB HIS A 231 10.302 27.033 -14.925 1.00 14.66 C ATOM 140 CG HIS A 231 9.414 27.001 -16.131 1.00 18.02 C ATOM 141 ND1 HIS A 231 9.768 27.584 -17.332 1.00 22.84 N ATOM 142 CD2 HIS A 231 8.185 26.467 -16.320 1.00 15.24 C ATOM 143 CE1 HIS A 231 8.795 27.404 -18.206 1.00 21.81 C ATOM 144 NE2 HIS A 231 7.821 26.732 -17.622 1.00 22.55 N ATOM 145 H HIS A 231 9.627 24.728 -13.827 1.00 0.00 H ATOM 146 N LEU A 232 12.366 25.394 -12.681 1.00 13.01 N ATOM 147 CA LEU A 232 13.309 25.706 -11.609 1.00 14.36 C ATOM 148 C LEU A 232 14.547 24.828 -11.639 1.00 14.38 C ATOM 149 O LEU A 232 14.457 23.619 -11.880 1.00 16.80 O ATOM 150 CB LEU A 232 12.643 25.545 -10.247 1.00 15.44 C ATOM 151 CG LEU A 232 11.560 26.553 -9.886 1.00 12.39 C ATOM 152 CD1 LEU A 232 10.937 26.180 -8.551 1.00 12.17 C ATOM 153 CD2 LEU A 232 12.145 27.952 -9.819 1.00 14.02 C ATOM 154 H LEU A 232 11.702 24.602 -12.566 1.00 0.00 H ATOM 155 N PRO A 233 15.720 25.426 -11.398 1.00 12.62 N ATOM 156 CA PRO A 233 16.953 24.646 -11.276 1.00 15.36 C ATOM 157 C PRO A 233 17.040 24.023 -9.889 1.00 12.56 C ATOM 158 O PRO A 233 16.360 24.476 -8.970 1.00 16.63 O ATOM 159 CB PRO A 233 18.045 25.699 -11.447 1.00 18.69 C ATOM 160 CG PRO A 233 17.431 26.941 -10.868 1.00 15.96 C ATOM 161 CD PRO A 233 15.963 26.873 -11.239 1.00 12.59 C ATOM 162 N GLY A 234 17.847 22.978 -9.739 1.00 16.34 N ATOM 163 CA GLY A 234 18.001 22.366 -8.435 1.00 16.99 C ATOM 164 C GLY A 234 16.784 21.573 -8.003 1.00 17.25 C ATOM 165 O GLY A 234 15.879 21.285 -8.797 1.00 15.18 O ATOM 166 H GLY A 234 18.367 22.600 -10.556 1.00 0.00 H ATOM 167 N PHE A 235 16.761 21.215 -6.725 1.00 15.40 N ATOM 168 CA PHE A 235 15.730 20.336 -6.207 1.00 17.17 C ATOM 169 C PHE A 235 15.543 20.618 -4.722 1.00 17.12 C ATOM 170 O PHE A 235 16.525 20.710 -3.986 1.00 17.48 O ATOM 171 CB PHE A 235 16.183 18.893 -6.426 1.00 23.41 C ATOM 172 CG PHE A 235 15.426 17.887 -5.626 1.00 34.69 C ATOM 173 CD1 PHE A 235 14.181 17.446 -6.046 1.00 36.80 C ATOM 174 CD2 PHE A 235 15.969 17.358 -4.461 1.00 35.18 C ATOM 175 CE1 PHE A 235 13.481 16.500 -5.313 1.00 58.05 C ATOM 176 CE2 PHE A 235 15.271 16.412 -3.717 1.00 34.93 C ATOM 177 CZ PHE A 235 14.027 15.981 -4.150 1.00 41.53 C ATOM 178 H PHE A 235 17.497 21.572 -6.082 1.00 0.00 H ATOM 179 N GLY A 236 14.294 20.768 -4.292 1.00 13.25 N ATOM 180 CA GLY A 236 14.013 21.036 -2.892 1.00 17.93 C ATOM 181 C GLY A 236 14.586 22.358 -2.424 1.00 15.45 C ATOM 182 O GLY A 236 14.990 22.494 -1.262 1.00 17.81 O ATOM 183 H GLY A 236 13.507 20.692 -4.967 1.00 0.00 H ATOM 184 N THR A 237 14.628 23.330 -3.331 1.00 12.87 N ATOM 185 CA THR A 237 15.127 24.662 -2.989 1.00 14.69 C ATOM 186 C THR A 237 14.010 25.491 -2.375 1.00 14.75 C ATOM 187 O THR A 237 12.844 25.069 -2.352 1.00 13.17 O ATOM 188 CB THR A 237 15.657 25.425 -4.217 1.00 14.07 C ATOM 189 OG1 THR A 237 14.560 25.858 -5.043 1.00 12.55 O ATOM 190 CG2 THR A 237 16.623 24.562 -5.026 1.00 17.31 C ATOM 191 HG1 THR A 237 14.046 25.069 -5.348 1.00 0.00 H ATOM 192 H THR A 237 14.301 23.140 -4.300 1.00 0.00 H ATOM 193 N ALA A 238 14.352 26.674 -1.876 1.00 13.33 N ATOM 194 CA ALA A 238 13.326 27.518 -1.279 1.00 13.94 C ATOM 195 C ALA A 238 12.273 27.907 -2.308 1.00 11.59 C ATOM 196 O ALA A 238 11.112 28.109 -1.961 1.00 10.08 O ATOM 197 CB ALA A 238 13.940 28.757 -0.642 1.00 14.68 C ATOM 198 H ALA A 238 15.341 26.994 -1.911 1.00 0.00 H ATOM 199 N PHE A 239 12.672 28.016 -3.574 1.00 12.75 N ATOM 200 CA PHE A 239 11.707 28.338 -4.629 1.00 10.09 C ATOM 201 C PHE A 239 10.739 27.178 -4.883 1.00 12.20 C ATOM 202 O PHE A 239 9.572 27.385 -5.206 1.00 11.30 O ATOM 203 CB PHE A 239 12.401 28.817 -5.919 1.00 10.87 C ATOM 204 CG PHE A 239 12.851 30.254 -5.854 1.00 9.79 C ATOM 205 CD1 PHE A 239 11.938 31.270 -6.066 1.00 12.57 C ATOM 206 CD2 PHE A 239 14.164 30.575 -5.558 1.00 17.55 C ATOM 207 CE1 PHE A 239 12.341 32.599 -6.001 1.00 19.86 C ATOM 208 CE2 PHE A 239 14.570 31.900 -5.485 1.00 19.05 C ATOM 209 CZ PHE A 239 13.654 32.909 -5.704 1.00 24.73 C ATOM 210 H PHE A 239 13.673 27.872 -3.815 1.00 0.00 H ATOM 211 N HIS A 240 11.215 25.948 -4.709 1.00 11.21 N ATOM 212 CA HIS A 240 10.312 24.797 -4.810 1.00 8.78 C ATOM 213 C HIS A 240 9.252 24.853 -3.703 1.00 12.43 C ATOM 214 O HIS A 240 8.047 24.592 -3.919 1.00 12.66 O ATOM 215 CB HIS A 240 11.098 23.481 -4.771 1.00 13.65 C ATOM 216 CG HIS A 240 11.889 23.223 -6.014 1.00 9.85 C ATOM 217 ND1 HIS A 240 13.209 23.620 -6.162 1.00 11.66 N ATOM 218 CD2 HIS A 240 11.558 22.609 -7.169 1.00 15.03 C ATOM 219 CE1 HIS A 240 13.635 23.279 -7.358 1.00 13.09 C ATOM 220 NE2 HIS A 240 12.658 22.649 -7.990 1.00 17.06 N ATOM 221 H HIS A 240 12.224 25.803 -4.502 1.00 0.00 H ATOM 222 N GLN A 241 9.684 25.257 -2.512 1.00 12.45 N ATOM 223 CA GLN A 241 8.738 25.348 -1.420 1.00 12.40 C ATOM 224 C GLN A 241 7.780 26.512 -1.655 1.00 11.87 C ATOM 225 O GLN A 241 6.589 26.429 -1.316 1.00 13.17 O ATOM 226 CB GLN A 241 9.455 25.481 -0.075 1.00 15.14 C ATOM 227 CG GLN A 241 8.512 25.500 1.098 1.00 15.84 C ATOM 228 CD GLN A 241 7.658 24.242 1.208 1.00 23.22 C ATOM 229 OE1 GLN A 241 8.004 23.191 0.672 1.00 21.49 O ATOM 230 NE2 GLN A 241 6.541 24.348 1.915 1.00 18.51 N ATOM 231 HE22 GLN A 241 6.286 25.257 2.352 1.00 0.00 H ATOM 232 HE21 GLN A 241 5.920 23.522 2.033 1.00 0.00 H ATOM 233 H GLN A 241 10.684 25.503 -2.368 1.00 0.00 H ATOM 234 N LEU A 242 8.282 27.590 -2.248 1.00 12.02 N ATOM 235 CA LEU A 242 7.399 28.695 -2.590 1.00 13.46 C ATOM 236 C LEU A 242 6.346 28.245 -3.598 1.00 12.75 C ATOM 237 O LEU A 242 5.196 28.665 -3.503 1.00 13.64 O ATOM 238 CB LEU A 242 8.178 29.916 -3.113 1.00 11.72 C ATOM 239 CG LEU A 242 7.347 31.129 -3.592 1.00 13.11 C ATOM 240 CD1 LEU A 242 6.433 31.662 -2.495 1.00 11.35 C ATOM 241 CD2 LEU A 242 8.258 32.243 -4.113 1.00 14.38 C ATOM 242 H LEU A 242 9.298 27.644 -2.466 1.00 0.00 H ATOM 243 N VAL A 243 6.718 27.373 -4.540 1.00 13.25 N ATOM 244 CA VAL A 243 5.722 26.814 -5.447 1.00 10.52 C ATOM 245 C VAL A 243 4.681 26.027 -4.651 1.00 12.21 C ATOM 246 O VAL A 243 3.471 26.164 -4.892 1.00 12.36 O ATOM 247 CB VAL A 243 6.374 25.880 -6.492 1.00 9.31 C ATOM 248 CG1 VAL A 243 5.306 25.081 -7.260 1.00 10.70 C ATOM 249 CG2 VAL A 243 7.248 26.699 -7.448 1.00 10.66 C ATOM 250 H VAL A 243 7.716 27.094 -4.626 1.00 0.00 H ATOM 251 N GLN A 244 5.140 25.204 -3.704 1.00 10.33 N ATOM 252 CA GLN A 244 4.177 24.472 -2.858 1.00 10.70 C ATOM 253 C GLN A 244 3.167 25.403 -2.169 1.00 12.60 C ATOM 254 O GLN A 244 1.944 25.155 -2.145 1.00 13.62 O ATOM 255 CB GLN A 244 4.921 23.672 -1.788 1.00 13.95 C ATOM 256 CG GLN A 244 5.709 22.491 -2.340 1.00 17.64 C ATOM 257 CD GLN A 244 4.872 21.232 -2.421 1.00 32.00 C ATOM 258 OE1 GLN A 244 3.702 21.273 -2.802 1.00 26.75 O ATOM 259 NE2 GLN A 244 5.461 20.106 -2.043 1.00 30.38 N ATOM 260 HE22 GLN A 244 6.452 20.118 -1.728 1.00 0.00 H ATOM 261 HE21 GLN A 244 4.932 19.211 -2.061 1.00 0.00 H ATOM 262 H GLN A 244 6.163 25.081 -3.565 1.00 0.00 H ATOM 263 N VAL A 245 3.683 26.484 -1.597 1.00 11.91 N ATOM 264 CA VAL A 245 2.840 27.429 -0.869 1.00 13.06 C ATOM 265 C VAL A 245 1.851 28.144 -1.799 1.00 13.67 C ATOM 266 O VAL A 245 0.648 28.254 -1.491 1.00 12.91 O ATOM 267 CB VAL A 245 3.708 28.451 -0.107 1.00 12.71 C ATOM 268 CG1 VAL A 245 2.859 29.612 0.410 1.00 14.52 C ATOM 269 CG2 VAL A 245 4.429 27.755 1.042 1.00 12.69 C ATOM 270 H VAL A 245 4.705 26.661 -1.668 1.00 0.00 H ATOM 271 N ILE A 246 2.364 28.611 -2.939 1.00 10.47 N ATOM 272 CA ILE A 246 1.542 29.286 -3.945 1.00 9.62 C ATOM 273 C ILE A 246 0.418 28.378 -4.416 1.00 14.77 C ATOM 274 O ILE A 246 -0.716 28.804 -4.558 1.00 13.19 O ATOM 275 CB ILE A 246 2.391 29.806 -5.136 1.00 12.62 C ATOM 276 CG1 ILE A 246 3.192 31.043 -4.718 1.00 12.48 C ATOM 277 CG2 ILE A 246 1.501 30.196 -6.317 1.00 12.71 C ATOM 278 CD1 ILE A 246 4.280 31.408 -5.743 1.00 13.43 C ATOM 279 H ILE A 246 3.381 28.491 -3.119 1.00 0.00 H ATOM 280 N CYS A 247 0.733 27.112 -4.647 1.00 9.82 N ATOM 281 CA CYS A 247 -0.262 26.167 -5.144 1.00 9.88 C ATOM 282 C CYS A 247 -1.296 25.786 -4.074 1.00 13.31 C ATOM 283 O CYS A 247 -2.479 25.642 -4.385 1.00 12.33 O ATOM 284 CB CYS A 247 0.411 24.912 -5.711 1.00 18.25 C ATOM 285 SG CYS A 247 1.285 25.229 -7.260 1.00 16.22 S ATOM 286 H CYS A 247 1.705 26.786 -4.471 1.00 0.00 H ATOM 287 N LYS A 248 -0.858 25.609 -2.826 1.00 13.69 N ATOM 288 CA LYS A 248 -1.782 25.324 -1.723 1.00 13.74 C ATOM 289 C LYS A 248 -2.763 26.475 -1.480 1.00 15.37 C ATOM 290 O LYS A 248 -3.993 26.294 -1.457 1.00 12.72 O ATOM 291 CB LYS A 248 -0.994 25.043 -0.436 1.00 15.24 C ATOM 292 CG LYS A 248 -1.872 24.877 0.806 1.00 22.19 C ATOM 293 CD LYS A 248 -2.651 23.572 0.768 1.00 22.08 C ATOM 294 CE LYS A 248 -3.270 23.228 2.133 1.00 29.57 C ATOM 295 NZ LYS A 248 -4.029 24.360 2.751 1.00 29.75 N ATOM 296 HZ1 LYS A 248 -3.389 25.167 2.895 1.00 0.00 H ATOM 297 HZ2 LYS A 248 -4.806 24.640 2.119 1.00 0.00 H ATOM 298 HZ3 LYS A 248 -4.417 24.056 3.667 1.00 0.00 H ATOM 299 H LYS A 248 0.161 25.675 -2.631 1.00 0.00 H ATOM 300 N LEU A 249 -2.207 27.670 -1.292 1.00 11.69 N ATOM 301 CA LEU A 249 -3.039 28.842 -1.039 1.00 8.34 C ATOM 302 C LEU A 249 -3.886 29.209 -2.256 1.00 11.40 C ATOM 303 O LEU A 249 -5.020 29.664 -2.115 1.00 13.11 O ATOM 304 CB LEU A 249 -2.183 30.029 -0.594 1.00 20.76 C ATOM 305 CG LEU A 249 -1.452 29.812 0.733 1.00 17.61 C ATOM 306 CD1 LEU A 249 -0.728 31.085 1.163 1.00 23.00 C ATOM 307 CD2 LEU A 249 -2.407 29.346 1.818 1.00 18.36 C ATOM 308 H LEU A 249 -1.172 27.769 -1.326 1.00 0.00 H ATOM 309 N GLY A 250 -3.345 28.987 -3.445 1.00 11.94 N ATOM 310 CA GLY A 250 -4.073 29.204 -4.678 1.00 11.73 C ATOM 311 C GLY A 250 -5.247 28.238 -4.784 1.00 11.50 C ATOM 312 O GLY A 250 -6.343 28.624 -5.163 1.00 14.27 O ATOM 313 H GLY A 250 -2.364 28.645 -3.494 1.00 0.00 H ATOM 314 N LYS A 251 -5.030 26.974 -4.435 1.00 12.35 N ATOM 315 CA LYS A 251 -6.111 25.993 -4.472 1.00 13.85 C ATOM 316 C LYS A 251 -7.198 26.382 -3.488 1.00 10.50 C ATOM 317 O LYS A 251 -8.399 26.362 -3.819 1.00 13.03 O ATOM 318 CB LYS A 251 -5.573 24.601 -4.131 1.00 14.52 C ATOM 319 CG LYS A 251 -6.638 23.511 -4.044 1.00 18.47 C ATOM 320 CD LYS A 251 -6.012 22.178 -3.652 1.00 25.46 C ATOM 321 CE LYS A 251 -7.066 21.092 -3.520 1.00 34.81 C ATOM 322 NZ LYS A 251 -6.474 19.824 -3.005 1.00 37.68 N ATOM 323 HZ1 LYS A 251 -5.738 19.494 -3.662 1.00 0.00 H ATOM 324 HZ2 LYS A 251 -6.054 19.994 -2.069 1.00 0.00 H ATOM 325 HZ3 LYS A 251 -7.219 19.102 -2.926 1.00 0.00 H ATOM 326 H LYS A 251 -4.079 26.680 -4.132 1.00 0.00 H ATOM 327 N ASP A 252 -6.770 26.763 -2.285 1.00 11.95 N ATOM 328 CA ASP A 252 -7.701 27.115 -1.217 1.00 14.92 C ATOM 329 C ASP A 252 -8.534 28.371 -1.491 1.00 15.40 C ATOM 330 O ASP A 252 -9.562 28.603 -0.846 1.00 16.66 O ATOM 331 CB ASP A 252 -6.958 27.258 0.119 1.00 17.62 C ATOM 332 CG ASP A 252 -6.443 25.936 0.651 1.00 30.02 C ATOM 333 OD1 ASP A 252 -6.902 24.884 0.169 1.00 26.18 O ATOM 334 OD2 ASP A 252 -5.589 25.956 1.563 1.00 31.39 O ATOM 335 H ASP A 252 -5.747 26.811 -2.102 1.00 0.00 H ATOM 336 N SER A 253 -8.095 29.186 -2.439 1.00 15.02 N ATOM 337 CA SER A 253 -8.851 30.370 -2.809 1.00 14.76 C ATOM 338 C SER A 253 -9.241 30.355 -4.285 1.00 12.68 C ATOM 339 O SER A 253 -9.446 31.414 -4.895 1.00 13.92 O ATOM 340 CB SER A 253 -8.069 31.640 -2.461 1.00 14.14 C ATOM 341 OG SER A 253 -8.036 31.817 -1.056 1.00 14.89 O ATOM 342 HG SER A 253 -7.595 31.036 -0.636 1.00 0.00 H ATOM 343 H SER A 253 -7.199 28.976 -2.924 1.00 0.00 H ATOM 344 N ASN A 254 -9.330 29.154 -4.858 1.00 14.14 N ATOM 345 CA ASN A 254 -9.795 28.971 -6.234 1.00 11.61 C ATOM 346 C ASN A 254 -9.127 29.910 -7.234 1.00 12.29 C ATOM 347 O ASN A 254 -9.763 30.372 -8.182 1.00 14.80 O ATOM 348 CB ASN A 254 -11.316 29.157 -6.303 1.00 14.35 C ATOM 349 CG ASN A 254 -12.074 27.966 -5.761 1.00 30.51 C ATOM 350 OD1 ASN A 254 -12.589 27.141 -6.520 1.00 28.22 O ATOM 351 ND2 ASN A 254 -12.145 27.866 -4.442 1.00 28.48 N ATOM 352 HD22 ASN A 254 -11.695 28.586 -3.841 1.00 0.00 H ATOM 353 HD21 ASN A 254 -12.650 27.068 -4.007 1.00 0.00 H ATOM 354 H ASN A 254 -9.059 28.315 -4.306 1.00 0.00 H ATOM 355 N SER A 255 -7.834 30.151 -7.029 1.00 11.50 N ATOM 356 CA SER A 255 -7.097 31.128 -7.817 1.00 12.87 C ATOM 357 C SER A 255 -5.962 30.552 -8.642 1.00 15.37 C ATOM 358 O SER A 255 -5.066 31.280 -9.078 1.00 10.93 O ATOM 359 CB SER A 255 -6.532 32.202 -6.883 1.00 13.95 C ATOM 360 OG SER A 255 -7.576 32.955 -6.308 1.00 16.20 O ATOM 361 HG SER A 255 -8.167 32.354 -5.788 1.00 0.00 H ATOM 362 H SER A 255 -7.335 29.625 -6.283 1.00 0.00 H ATOM 363 N LEU A 256 -5.982 29.249 -8.877 1.00 10.65 N ATOM 364 CA LEU A 256 -4.886 28.631 -9.615 1.00 14.31 C ATOM 365 C LEU A 256 -4.795 29.116 -11.058 1.00 11.75 C ATOM 366 O LEU A 256 -3.707 29.146 -11.639 1.00 12.31 O ATOM 367 CB LEU A 256 -5.045 27.123 -9.608 1.00 13.29 C ATOM 368 CG LEU A 256 -4.945 26.502 -8.217 1.00 12.18 C ATOM 369 CD1 LEU A 256 -5.359 25.040 -8.294 1.00 15.10 C ATOM 370 CD2 LEU A 256 -3.528 26.638 -7.704 1.00 13.81 C ATOM 371 H LEU A 256 -6.775 28.669 -8.537 1.00 0.00 H ATOM 372 N ASP A 257 -5.936 29.471 -11.641 1.00 12.84 N ATOM 373 CA ASP A 257 -5.931 29.917 -13.025 1.00 13.80 C ATOM 374 C ASP A 257 -5.211 31.261 -13.170 1.00 12.10 C ATOM 375 O ASP A 257 -4.326 31.402 -14.027 1.00 15.23 O ATOM 376 CB ASP A 257 -7.341 29.970 -13.624 1.00 14.06 C ATOM 377 CG ASP A 257 -7.334 30.506 -15.040 1.00 18.87 C ATOM 378 OD1 ASP A 257 -7.319 31.746 -15.205 1.00 21.73 O ATOM 379 OD2 ASP A 257 -7.334 29.697 -15.992 1.00 21.92 O ATOM 380 H ASP A 257 -6.829 29.430 -11.109 1.00 0.00 H ATOM 381 N ILE A 258 -5.553 32.231 -12.322 1.00 12.26 N ATOM 382 CA ILE A 258 -4.887 33.533 -12.407 1.00 14.52 C ATOM 383 C ILE A 258 -3.411 33.399 -12.039 1.00 14.13 C ATOM 384 O ILE A 258 -2.564 34.039 -12.649 1.00 13.57 O ATOM 385 CB ILE A 258 -5.594 34.650 -11.588 1.00 13.17 C ATOM 386 CG1 ILE A 258 -4.950 36.011 -11.878 1.00 12.47 C ATOM 387 CG2 ILE A 258 -5.580 34.349 -10.091 1.00 13.20 C ATOM 388 CD1 ILE A 258 -4.955 36.375 -13.359 1.00 15.71 C ATOM 389 H ILE A 258 -6.288 32.065 -11.605 1.00 0.00 H ATOM 390 N ILE A 259 -3.092 32.528 -11.084 1.00 10.18 N ATOM 391 CA ILE A 259 -1.685 32.339 -10.741 1.00 6.94 C ATOM 392 C ILE A 259 -0.902 31.775 -11.927 1.00 13.28 C ATOM 393 O ILE A 259 0.191 32.260 -12.267 1.00 14.12 O ATOM 394 CB ILE A 259 -1.514 31.442 -9.497 1.00 10.33 C ATOM 395 CG1 ILE A 259 -2.005 32.189 -8.254 1.00 8.80 C ATOM 396 CG2 ILE A 259 -0.056 31.041 -9.338 1.00 12.25 C ATOM 397 CD1 ILE A 259 -2.379 31.254 -7.105 1.00 16.12 C ATOM 398 H ILE A 259 -3.833 31.991 -10.590 1.00 0.00 H ATOM 399 N HIS A 260 -1.463 30.755 -12.569 1.00 11.74 N ATOM 400 CA HIS A 260 -0.820 30.189 -13.748 1.00 12.09 C ATOM 401 C HIS A 260 -0.631 31.234 -14.850 1.00 13.03 C ATOM 402 O HIS A 260 0.432 31.308 -15.488 1.00 14.36 O ATOM 403 CB HIS A 260 -1.628 29.000 -14.280 1.00 12.77 C ATOM 404 CG HIS A 260 -1.057 28.408 -15.530 1.00 13.88 C ATOM 405 ND1 HIS A 260 -1.676 28.530 -16.756 1.00 28.63 N ATOM 406 CD2 HIS A 260 0.091 27.730 -15.750 1.00 15.52 C ATOM 407 CE1 HIS A 260 -0.939 27.932 -17.675 1.00 25.71 C ATOM 408 NE2 HIS A 260 0.137 27.438 -17.092 1.00 21.02 N ATOM 409 H HIS A 260 -2.363 30.360 -12.229 1.00 0.00 H ATOM 410 N ALA A 261 -1.665 32.052 -15.058 1.00 12.85 N ATOM 411 CA ALA A 261 -1.599 33.109 -16.076 1.00 11.45 C ATOM 412 C ALA A 261 -0.532 34.178 -15.776 1.00 13.93 C ATOM 413 O ALA A 261 0.169 34.644 -16.679 1.00 15.27 O ATOM 414 CB ALA A 261 -2.964 33.755 -16.264 1.00 13.08 C ATOM 415 H ALA A 261 -2.530 31.939 -14.491 1.00 0.00 H ATOM 416 N GLU A 262 -0.416 34.572 -14.512 1.00 12.50 N ATOM 417 CA GLU A 262 0.617 35.538 -14.126 1.00 11.61 C ATOM 418 C GLU A 262 2.005 34.934 -14.298 1.00 11.55 C ATOM 419 O GLU A 262 2.942 35.599 -14.747 1.00 12.89 O ATOM 420 CB GLU A 262 0.420 36.000 -12.681 1.00 14.43 C ATOM 421 CG GLU A 262 -0.855 36.774 -12.454 1.00 14.11 C ATOM 422 CD GLU A 262 -0.732 38.220 -12.844 1.00 18.02 C ATOM 423 OE1 GLU A 262 0.385 38.641 -13.215 1.00 24.38 O ATOM 424 OE2 GLU A 262 -1.755 38.936 -12.778 1.00 24.14 O ATOM 425 H GLU A 262 -1.063 34.192 -13.791 1.00 0.00 H ATOM 426 N PHE A 263 2.138 33.658 -13.931 1.00 10.68 N ATOM 427 CA PHE A 263 3.423 32.967 -14.093 1.00 13.05 C ATOM 428 C PHE A 263 3.865 32.960 -15.559 1.00 11.72 C ATOM 429 O PHE A 263 4.992 33.389 -15.902 1.00 12.72 O ATOM 430 CB PHE A 263 3.335 31.538 -13.560 1.00 11.42 C ATOM 431 CG PHE A 263 4.640 30.768 -13.637 1.00 11.35 C ATOM 432 CD1 PHE A 263 5.700 31.084 -12.787 1.00 12.19 C ATOM 433 CD2 PHE A 263 4.793 29.712 -14.530 1.00 13.98 C ATOM 434 CE1 PHE A 263 6.903 30.373 -12.857 1.00 10.15 C ATOM 435 CE2 PHE A 263 5.990 28.996 -14.595 1.00 16.17 C ATOM 436 CZ PHE A 263 7.036 29.327 -13.754 1.00 14.26 C ATOM 437 H PHE A 263 1.326 33.149 -13.527 1.00 0.00 H ATOM 438 N GLN A 264 2.962 32.487 -16.418 1.00 11.84 N ATOM 439 CA GLN A 264 3.238 32.451 -17.850 1.00 14.90 C ATOM 440 C GLN A 264 3.490 33.841 -18.445 1.00 12.25 C ATOM 441 O GLN A 264 4.356 33.997 -19.304 1.00 15.10 O ATOM 442 CB GLN A 264 2.108 31.742 -18.606 1.00 19.09 C ATOM 443 CG GLN A 264 1.933 30.265 -18.243 1.00 19.49 C ATOM 444 CD GLN A 264 3.156 29.413 -18.559 1.00 32.42 C ATOM 445 OE1 GLN A 264 4.060 29.836 -19.279 1.00 31.31 O ATOM 446 NE2 GLN A 264 3.181 28.198 -18.021 1.00 24.10 N ATOM 447 HE22 GLN A 264 2.396 27.880 -17.418 1.00 0.00 H ATOM 448 HE21 GLN A 264 3.986 27.565 -18.203 1.00 0.00 H ATOM 449 H GLN A 264 2.049 32.139 -16.063 1.00 0.00 H ATOM 450 N ALA A 265 2.744 34.853 -17.995 1.00 14.38 N ATOM 451 CA ALA A 265 2.932 36.200 -18.532 1.00 14.13 C ATOM 452 C ALA A 265 4.297 36.763 -18.144 1.00 12.26 C ATOM 453 O ALA A 265 4.979 37.363 -18.971 1.00 16.85 O ATOM 454 CB ALA A 265 1.824 37.127 -18.077 1.00 14.34 C ATOM 455 H ALA A 265 2.027 34.683 -17.261 1.00 0.00 H ATOM 456 N SER A 266 4.691 36.568 -16.887 1.00 12.81 N ATOM 457 CA SER A 266 6.017 36.999 -16.458 1.00 8.66 C ATOM 458 C SER A 266 7.106 36.305 -17.269 1.00 14.70 C ATOM 459 O SER A 266 8.068 36.955 -17.718 1.00 14.01 O ATOM 460 CB SER A 266 6.221 36.736 -14.967 1.00 16.39 C ATOM 461 OG SER A 266 5.525 37.690 -14.194 1.00 13.72 O ATOM 462 HG SER A 266 5.669 37.503 -13.233 1.00 0.00 H ATOM 463 H SER A 266 4.051 36.107 -16.209 1.00 0.00 H ATOM 464 N LEU A 267 6.965 34.988 -17.468 1.00 12.98 N ATOM 465 CA LEU A 267 7.965 34.297 -18.312 1.00 14.62 C ATOM 466 C LEU A 267 8.003 34.869 -19.733 1.00 17.11 C ATOM 467 O LEU A 267 9.075 35.049 -20.316 1.00 14.92 O ATOM 468 CB LEU A 267 7.693 32.795 -18.386 1.00 15.89 C ATOM 469 CG LEU A 267 7.824 32.061 -17.063 1.00 13.77 C ATOM 470 CD1 LEU A 267 7.540 30.598 -17.303 1.00 19.20 C ATOM 471 CD2 LEU A 267 9.225 32.267 -16.502 1.00 16.57 C ATOM 472 H LEU A 267 6.174 34.465 -17.041 1.00 0.00 H ATOM 473 N ALA A 268 6.824 35.150 -20.285 1.00 15.01 N ATOM 474 CA ALA A 268 6.721 35.693 -21.636 1.00 16.13 C ATOM 475 C ALA A 268 7.381 37.065 -21.798 1.00 17.38 C ATOM 476 O ALA A 268 7.794 37.416 -22.898 1.00 17.75 O ATOM 477 CB ALA A 268 5.261 35.753 -22.080 1.00 18.60 C ATOM 478 H ALA A 268 5.955 34.978 -19.740 1.00 0.00 H ATOM 479 N GLU A 269 7.479 37.827 -20.704 1.00 16.04 N ATOM 480 CA GLU A 269 8.122 39.142 -20.738 1.00 15.73 C ATOM 481 C GLU A 269 9.629 39.030 -20.578 1.00 14.25 C ATOM 482 O GLU A 269 10.351 40.024 -20.736 1.00 18.71 O ATOM 483 CB GLU A 269 7.566 40.060 -19.643 1.00 19.66 C ATOM 484 CG GLU A 269 6.125 40.496 -19.856 1.00 24.29 C ATOM 485 CD GLU A 269 5.928 41.300 -21.135 1.00 67.11 C ATOM 486 OE1 GLU A 269 6.897 41.933 -21.609 1.00 44.78 O ATOM 487 OE2 GLU A 269 4.798 41.304 -21.666 1.00 67.46 O ATOM 488 H GLU A 269 7.089 37.477 -19.806 1.00 0.00 H ATOM 489 N GLY A 270 10.096 37.830 -20.253 1.00 18.39 N ATOM 490 CA GLY A 270 11.521 37.561 -20.186 1.00 18.03 C ATOM 491 C GLY A 270 12.052 37.462 -18.768 1.00 16.90 C ATOM 492 O GLY A 270 13.259 37.381 -18.569 1.00 16.90 O ATOM 493 H GLY A 270 9.425 37.064 -20.041 1.00 0.00 H ATOM 494 N ASP A 271 11.160 37.469 -17.783 1.00 16.13 N ATOM 495 CA ASP A 271 11.583 37.307 -16.392 1.00 15.13 C ATOM 496 C ASP A 271 12.065 35.887 -16.140 1.00 13.54 C ATOM 497 O ASP A 271 11.581 34.936 -16.772 1.00 15.47 O ATOM 498 CB ASP A 271 10.423 37.576 -15.433 1.00 14.78 C ATOM 499 CG ASP A 271 10.092 39.051 -15.302 1.00 27.07 C ATOM 500 OD1 ASP A 271 10.994 39.891 -15.499 1.00 30.35 O ATOM 501 OD2 ASP A 271 8.924 39.364 -14.986 1.00 37.30 O ATOM 502 H ASP A 271 10.151 37.591 -18.003 1.00 0.00 H ATOM 503 N SER A 272 12.971 35.736 -15.184 1.00 14.24 N ATOM 504 CA SER A 272 13.378 34.408 -14.726 1.00 15.90 C ATOM 505 C SER A 272 12.191 33.768 -14.017 1.00 16.81 C ATOM 506 O SER A 272 11.290 34.470 -13.552 1.00 13.84 O ATOM 507 CB SER A 272 14.556 34.537 -13.765 1.00 17.83 C ATOM 508 OG SER A 272 14.143 35.166 -12.564 1.00 15.78 O ATOM 509 HG SER A 272 13.433 34.624 -12.136 1.00 0.00 H ATOM 510 H SER A 272 13.401 36.578 -14.751 1.00 0.00 H ATOM 511 N PRO A 273 12.165 32.427 -13.932 1.00 13.26 N ATOM 512 CA PRO A 273 11.033 31.784 -13.244 1.00 15.40 C ATOM 513 C PRO A 273 10.966 32.177 -11.759 1.00 11.96 C ATOM 514 O PRO A 273 9.875 32.293 -11.181 1.00 14.41 O ATOM 515 CB PRO A 273 11.320 30.278 -13.407 1.00 17.50 C ATOM 516 CG PRO A 273 12.776 30.188 -13.787 1.00 25.36 C ATOM 517 CD PRO A 273 13.068 31.446 -14.560 1.00 20.34 C ATOM 518 N GLN A 274 12.137 32.383 -11.157 1.00 13.92 N ATOM 519 CA GLN A 274 12.221 32.853 -9.772 1.00 11.31 C ATOM 520 C GLN A 274 11.527 34.216 -9.591 1.00 14.54 C ATOM 521 O GLN A 274 10.649 34.396 -8.710 1.00 14.54 O ATOM 522 CB GLN A 274 13.687 32.921 -9.335 1.00 14.51 C ATOM 523 CG GLN A 274 14.416 31.557 -9.279 1.00 15.84 C ATOM 524 CD GLN A 274 15.106 31.178 -10.590 1.00 18.73 C ATOM 525 OE1 GLN A 274 14.881 31.791 -11.634 1.00 19.11 O ATOM 526 NE2 GLN A 274 15.972 30.169 -10.525 1.00 16.92 N ATOM 527 HE22 GLN A 274 16.132 29.678 -9.622 1.00 0.00 H ATOM 528 HE21 GLN A 274 16.489 29.871 -11.377 1.00 0.00 H ATOM 529 H GLN A 274 13.015 32.205 -11.685 1.00 0.00 H ATOM 530 N CYS A 275 11.919 35.159 -10.453 1.00 11.08 N ATOM 531 CA CYS A 275 11.297 36.476 -10.476 1.00 11.94 C ATOM 532 C CYS A 275 9.790 36.376 -10.710 1.00 14.51 C ATOM 533 O CYS A 275 9.025 37.136 -10.124 1.00 13.99 O ATOM 534 CB CYS A 275 11.945 37.349 -11.549 1.00 13.24 C ATOM 535 SG CYS A 275 11.214 38.979 -11.741 1.00 19.24 S ATOM 536 H CYS A 275 12.686 34.948 -11.123 1.00 0.00 H ATOM 537 N ALA A 276 9.370 35.444 -11.569 1.00 12.84 N ATOM 538 CA ALA A 276 7.939 35.228 -11.826 1.00 13.96 C ATOM 539 C ALA A 276 7.189 34.787 -10.570 1.00 13.39 C ATOM 540 O ALA A 276 6.072 35.263 -10.293 1.00 13.95 O ATOM 541 CB ALA A 276 7.738 34.205 -12.950 1.00 14.45 C ATOM 542 H ALA A 276 10.070 34.858 -12.067 1.00 0.00 H ATOM 543 N LEU A 277 7.805 33.879 -9.807 1.00 12.73 N ATOM 544 CA LEU A 277 7.178 33.415 -8.554 1.00 15.20 C ATOM 545 C LEU A 277 7.051 34.550 -7.513 1.00 12.03 C ATOM 546 O LEU A 277 5.962 34.765 -6.889 1.00 10.30 O ATOM 547 CB LEU A 277 7.937 32.202 -7.979 1.00 11.21 C ATOM 548 CG LEU A 277 7.944 30.920 -8.831 1.00 14.61 C ATOM 549 CD1 LEU A 277 8.937 29.887 -8.282 1.00 14.51 C ATOM 550 CD2 LEU A 277 6.537 30.317 -8.938 1.00 14.21 C ATOM 551 H LEU A 277 8.728 33.498 -10.097 1.00 0.00 H ATOM 552 N ILE A 278 8.145 35.302 -7.344 1.00 13.65 N ATOM 553 CA ILE A 278 8.065 36.491 -6.465 1.00 12.00 C ATOM 554 C ILE A 278 6.989 37.515 -6.915 1.00 20.04 C ATOM 555 O ILE A 278 6.207 38.097 -6.094 1.00 14.75 O ATOM 556 CB ILE A 278 9.434 37.175 -6.363 1.00 11.74 C ATOM 557 CG1 ILE A 278 10.450 36.212 -5.731 1.00 16.04 C ATOM 558 CG2 ILE A 278 9.335 38.498 -5.596 1.00 13.70 C ATOM 559 CD1 ILE A 278 10.019 35.681 -4.374 1.00 21.84 C ATOM 560 H ILE A 278 9.035 35.056 -7.821 1.00 0.00 H ATOM 561 N GLN A 279 6.931 37.721 -8.229 1.00 12.76 N ATOM 562 CA GLN A 279 5.939 38.638 -8.773 1.00 18.73 C ATOM 563 C GLN A 279 4.534 38.138 -8.493 1.00 23.56 C ATOM 564 O GLN A 279 3.652 38.941 -8.235 1.00 15.93 O ATOM 565 CB GLN A 279 6.152 38.939 -10.264 1.00 16.81 C ATOM 566 CG GLN A 279 7.303 39.910 -10.553 1.00 22.88 C ATOM 567 CD GLN A 279 7.118 41.274 -9.906 1.00 44.68 C ATOM 568 OE1 GLN A 279 6.021 41.634 -9.478 1.00 60.44 O ATOM 569 NE2 GLN A 279 8.198 42.046 -9.841 1.00 67.50 N ATOM 570 HE22 GLN A 279 9.106 41.703 -10.215 1.00 0.00 H ATOM 571 HE21 GLN A 279 8.135 42.993 -9.416 1.00 0.00 H ATOM 572 H GLN A 279 7.591 37.229 -8.864 1.00 0.00 H ATOM 573 N ILE A 280 4.323 36.827 -8.514 1.00 14.86 N ATOM 574 CA ILE A 280 3.016 36.297 -8.122 1.00 12.87 C ATOM 575 C ILE A 280 2.728 36.688 -6.689 1.00 13.28 C ATOM 576 O ILE A 280 1.606 37.133 -6.374 1.00 12.71 O ATOM 577 CB ILE A 280 2.969 34.756 -8.253 1.00 11.10 C ATOM 578 CG1 ILE A 280 2.746 34.369 -9.714 1.00 19.60 C ATOM 579 CG2 ILE A 280 1.866 34.131 -7.380 1.00 12.48 C ATOM 580 CD1 ILE A 280 3.168 32.950 -10.009 1.00 18.45 C ATOM 581 H ILE A 280 5.083 36.180 -8.807 1.00 0.00 H ATOM 582 N THR A 281 3.719 36.510 -5.805 1.00 12.06 N ATOM 583 CA THR A 281 3.444 36.962 -4.426 1.00 12.88 C ATOM 584 C THR A 281 3.129 38.462 -4.313 1.00 19.23 C ATOM 585 O THR A 281 2.451 38.880 -3.366 1.00 21.05 O ATOM 586 CB THR A 281 4.555 36.620 -3.443 1.00 15.16 C ATOM 587 OG1 THR A 281 5.666 37.498 -3.656 1.00 18.26 O ATOM 588 CG2 THR A 281 4.968 35.166 -3.608 1.00 15.20 C ATOM 589 HG1 THR A 281 5.998 37.389 -4.582 1.00 0.00 H ATOM 590 H THR A 281 4.627 36.080 -6.074 1.00 0.00 H ATOM 591 N LYS A 282 3.598 39.270 -5.261 1.00 20.86 N ATOM 592 CA LYS A 282 3.275 40.704 -5.186 1.00 34.18 C ATOM 593 C LYS A 282 2.018 41.196 -5.944 1.00 23.13 C ATOM 594 O LYS A 282 1.454 42.234 -5.596 1.00 34.05 O ATOM 595 CB LYS A 282 4.500 41.543 -5.555 1.00 26.45 C ATOM 596 CG LYS A 282 5.609 41.455 -4.516 1.00 24.33 C ATOM 597 CD LYS A 282 6.954 41.842 -5.104 1.00 41.00 C ATOM 598 CE LYS A 282 8.094 41.464 -4.171 1.00 35.19 C ATOM 599 NZ LYS A 282 8.297 42.431 -3.060 1.00 61.02 N ATOM 600 HZ1 LYS A 282 8.514 43.369 -3.454 1.00 0.00 H ATOM 601 HZ2 LYS A 282 7.431 42.486 -2.487 1.00 0.00 H ATOM 602 HZ3 LYS A 282 9.088 42.112 -2.465 1.00 0.00 H ATOM 603 H LYS A 282 4.180 38.896 -6.038 1.00 0.00 H ATOM 604 N ARG A 283 1.579 40.456 -6.956 1.00 17.44 N ATOM 605 CA ARG A 283 0.527 40.893 -7.880 1.00 21.96 C ATOM 606 C ARG A 283 -0.790 40.125 -7.776 1.00 21.13 C ATOM 607 O ARG A 283 -1.823 40.604 -8.235 1.00 29.01 O ATOM 608 CB ARG A 283 1.019 40.797 -9.324 1.00 25.87 C ATOM 609 CG ARG A 283 2.248 41.639 -9.651 1.00 27.13 C ATOM 610 CD ARG A 283 2.544 41.522 -11.143 1.00 33.32 C ATOM 611 NE ARG A 283 3.855 42.033 -11.529 1.00 47.20 N ATOM 612 CZ ARG A 283 4.645 41.453 -12.428 1.00 57.80 C ATOM 613 NH1 ARG A 283 4.264 40.334 -13.029 1.00 35.67 N ATOM 614 NH2 ARG A 283 5.823 41.985 -12.723 1.00 61.92 N ATOM 615 HE ARG A 283 4.193 42.905 -11.073 1.00 0.00 H ATOM 616 HH12 ARG A 283 4.885 39.884 -13.731 1.00 0.00 H ATOM 617 HH11 ARG A 283 3.344 39.907 -12.798 1.00 0.00 H ATOM 618 HH22 ARG A 283 6.438 41.529 -13.427 1.00 0.00 H ATOM 619 HH21 ARG A 283 6.132 42.859 -12.251 1.00 0.00 H ATOM 620 H ARG A 283 2.003 39.518 -7.101 1.00 0.00 H ATOM 621 N VAL A 284 -0.759 38.919 -7.216 1.00 16.47 N ATOM 622 CA VAL A 284 -2.002 38.179 -7.012 1.00 19.66 C ATOM 623 C VAL A 284 -2.528 38.520 -5.623 1.00 21.73 C ATOM 624 O VAL A 284 -1.827 38.309 -4.635 1.00 16.57 O ATOM 625 CB VAL A 284 -1.778 36.671 -7.161 1.00 15.71 C ATOM 626 CG1 VAL A 284 -3.069 35.904 -6.932 1.00 19.63 C ATOM 627 CG2 VAL A 284 -1.220 36.362 -8.546 1.00 17.15 C ATOM 628 H VAL A 284 0.149 38.504 -6.924 1.00 0.00 H ATOM 629 N PRO A 285 -3.758 39.057 -5.545 1.00 18.54 N ATOM 630 CA PRO A 285 -4.270 39.638 -4.295 1.00 19.58 C ATOM 631 C PRO A 285 -4.318 38.723 -3.067 1.00 18.79 C ATOM 632 O PRO A 285 -4.215 39.245 -1.960 1.00 21.68 O ATOM 633 CB PRO A 285 -5.680 40.132 -4.673 1.00 22.94 C ATOM 634 CG PRO A 285 -5.999 39.482 -5.986 1.00 40.58 C ATOM 635 CD PRO A 285 -4.684 39.277 -6.670 1.00 25.67 C ATOM 636 N ILE A 286 -4.448 37.407 -3.223 1.00 20.08 N ATOM 637 CA ILE A 286 -4.470 36.530 -2.042 1.00 20.53 C ATOM 638 C ILE A 286 -3.157 36.523 -1.241 1.00 18.08 C ATOM 639 O ILE A 286 -3.140 36.081 -0.082 1.00 21.02 O ATOM 640 CB ILE A 286 -4.881 35.060 -2.375 1.00 16.63 C ATOM 641 CG1 ILE A 286 -3.817 34.361 -3.243 1.00 19.96 C ATOM 642 CG2 ILE A 286 -6.280 35.019 -3.010 1.00 24.86 C ATOM 643 CD1 ILE A 286 -4.041 32.849 -3.413 1.00 20.64 C ATOM 644 H ILE A 286 -4.534 37.001 -4.176 1.00 0.00 H ATOM 645 N PHE A 287 -2.066 36.995 -1.845 1.00 17.44 N ATOM 646 CA PHE A 287 -0.766 36.996 -1.168 1.00 19.63 C ATOM 647 C PHE A 287 -0.371 38.356 -0.637 1.00 27.60 C ATOM 648 O PHE A 287 0.580 38.470 0.139 1.00 23.90 O ATOM 649 CB PHE A 287 0.351 36.510 -2.094 1.00 15.63 C ATOM 650 CG PHE A 287 0.098 35.157 -2.686 1.00 15.43 C ATOM 651 CD1 PHE A 287 0.162 34.009 -1.906 1.00 20.75 C ATOM 652 CD2 PHE A 287 -0.217 35.035 -4.029 1.00 16.26 C ATOM 653 CE1 PHE A 287 -0.091 32.760 -2.462 1.00 17.67 C ATOM 654 CE2 PHE A 287 -0.467 33.795 -4.590 1.00 16.04 C ATOM 655 CZ PHE A 287 -0.404 32.654 -3.814 1.00 16.19 C ATOM 656 H PHE A 287 -2.139 37.369 -2.813 1.00 0.00 H ATOM 657 N GLN A 288 -1.080 39.384 -1.085 1.00 18.87 N ATOM 658 CA GLN A 288 -0.779 40.749 -0.689 1.00 20.52 C ATOM 659 C GLN A 288 -1.001 40.919 0.806 1.00 25.37 C ATOM 660 O GLN A 288 -2.078 40.615 1.336 1.00 26.19 O ATOM 661 CB GLN A 288 -1.575 41.736 -1.544 1.00 30.73 C ATOM 662 CG GLN A 288 -1.118 41.705 -3.009 1.00 35.59 C ATOM 663 CD GLN A 288 -2.048 42.448 -3.960 1.00 35.60 C ATOM 664 OE1 GLN A 288 -3.059 43.024 -3.549 1.00 29.88 O ATOM 665 NE2 GLN A 288 -1.709 42.425 -5.243 1.00 39.34 N ATOM 666 HE22 GLN A 288 -0.847 41.927 -5.544 1.00 0.00 H ATOM 667 HE21 GLN A 288 -2.305 42.905 -5.947 1.00 0.00 H ATOM 668 H GLN A 288 -1.871 39.208 -1.736 1.00 0.00 H ATOM 669 N ASP A 289 0.064 41.345 1.483 1.00 27.72 N ATOM 670 CA ASP A 289 0.082 41.486 2.937 1.00 31.45 C ATOM 671 C ASP A 289 -0.398 40.241 3.696 1.00 23.92 C ATOM 672 O ASP A 289 -0.916 40.342 4.803 1.00 32.79 O ATOM 673 CB ASP A 289 -0.711 42.722 3.363 1.00 43.55 C ATOM 674 CG ASP A 289 -0.071 43.449 4.525 1.00 57.28 C ATOM 675 OD1 ASP A 289 1.176 43.528 4.572 1.00 53.24 O ATOM 676 OD2 ASP A 289 -0.817 43.944 5.393 1.00 45.33 O ATOM 677 H ASP A 289 0.924 41.589 0.951 1.00 0.00 H ATOM 678 N ALA A 290 -0.208 39.060 3.112 1.00 20.63 N ATOM 679 CA ALA A 290 -0.653 37.829 3.761 1.00 22.79 C ATOM 680 C ALA A 290 0.472 37.232 4.611 1.00 23.11 C ATOM 681 O ALA A 290 1.644 37.339 4.254 1.00 21.06 O ATOM 682 CB ALA A 290 -1.107 36.820 2.720 1.00 23.70 C ATOM 683 H ALA A 290 0.262 39.013 2.185 1.00 0.00 H ATOM 684 N ALA A 291 0.110 36.614 5.734 1.00 24.47 N ATOM 685 CA ALA A 291 1.079 35.941 6.598 1.00 20.45 C ATOM 686 C ALA A 291 1.444 34.603 5.981 1.00 20.64 C ATOM 687 O ALA A 291 0.627 34.001 5.295 1.00 21.07 O ATOM 688 CB ALA A 291 0.502 35.739 7.994 1.00 29.61 C ATOM 689 H ALA A 291 -0.894 36.610 6.005 1.00 0.00 H ATOM 690 N PRO A 292 2.669 34.118 6.238 1.00 17.78 N ATOM 691 CA PRO A 292 3.057 32.811 5.687 1.00 15.82 C ATOM 692 C PRO A 292 2.243 31.700 6.340 1.00 16.79 C ATOM 693 O PRO A 292 1.929 31.791 7.528 1.00 18.31 O ATOM 694 CB PRO A 292 4.518 32.659 6.112 1.00 18.10 C ATOM 695 CG PRO A 292 4.936 34.004 6.655 1.00 20.13 C ATOM 696 CD PRO A 292 3.703 34.677 7.123 1.00 26.06 C ATOM 697 N PRO A 293 1.914 30.656 5.573 1.00 14.70 N ATOM 698 CA PRO A 293 1.194 29.538 6.178 1.00 13.19 C ATOM 699 C PRO A 293 2.092 28.787 7.146 1.00 16.67 C ATOM 700 O PRO A 293 3.324 28.792 6.997 1.00 15.12 O ATOM 701 CB PRO A 293 0.858 28.648 4.983 1.00 18.09 C ATOM 702 CG PRO A 293 1.917 28.973 3.963 1.00 16.47 C ATOM 703 CD PRO A 293 2.215 30.429 4.146 1.00 14.48 C ATOM 704 N VAL A 294 1.470 28.163 8.144 1.00 15.19 N ATOM 705 CA VAL A 294 2.192 27.338 9.102 1.00 14.55 C ATOM 706 C VAL A 294 2.110 25.887 8.652 1.00 14.99 C ATOM 707 O VAL A 294 1.021 25.367 8.398 1.00 17.59 O ATOM 708 CB VAL A 294 1.588 27.462 10.514 1.00 17.47 C ATOM 709 CG1 VAL A 294 2.251 26.486 11.473 1.00 18.96 C ATOM 710 CG2 VAL A 294 1.731 28.889 11.029 1.00 18.30 C ATOM 711 H VAL A 294 0.440 28.268 8.242 1.00 0.00 H ATOM 712 N ILE A 295 3.269 25.246 8.543 1.00 14.48 N ATOM 713 CA ILE A 295 3.331 23.855 8.129 1.00 16.60 C ATOM 714 C ILE A 295 3.934 23.035 9.262 1.00 15.64 C ATOM 715 O ILE A 295 5.069 23.280 9.673 1.00 15.20 O ATOM 716 CB ILE A 295 4.193 23.691 6.864 1.00 17.05 C ATOM 717 CG1 ILE A 295 3.611 24.511 5.709 1.00 17.91 C ATOM 718 CG2 ILE A 295 4.307 22.228 6.475 1.00 15.29 C ATOM 719 CD1 ILE A 295 4.426 24.443 4.419 1.00 17.88 C ATOM 720 H ILE A 295 4.152 25.752 8.759 1.00 0.00 H ATOM 721 N HIS A 296 3.190 22.053 9.757 1.00 15.71 N ATOM 722 CA HIS A 296 3.666 21.237 10.865 1.00 18.87 C ATOM 723 C HIS A 296 4.588 20.132 10.395 1.00 22.43 C ATOM 724 O HIS A 296 4.221 19.346 9.524 1.00 22.52 O ATOM 725 CB HIS A 296 2.490 20.645 11.635 1.00 21.39 C ATOM 726 CG HIS A 296 1.769 21.648 12.471 1.00 19.76 C ATOM 727 ND1 HIS A 296 0.793 22.478 11.966 1.00 36.94 N ATOM 728 CD2 HIS A 296 1.906 21.977 13.776 1.00 34.60 C ATOM 729 CE1 HIS A 296 0.351 23.268 12.927 1.00 21.87 C ATOM 730 NE2 HIS A 296 1.012 22.983 14.037 1.00 48.13 N ATOM 731 H HIS A 296 2.253 21.864 9.347 1.00 0.00 H ATOM 732 N ILE A 297 5.780 20.076 10.981 1.00 18.11 N ATOM 733 CA ILE A 297 6.733 19.017 10.674 1.00 19.54 C ATOM 734 C ILE A 297 7.312 18.497 11.975 1.00 30.31 C ATOM 735 O ILE A 297 7.157 19.113 13.033 1.00 21.81 O ATOM 736 CB ILE A 297 7.888 19.521 9.787 1.00 18.89 C ATOM 737 CG1 ILE A 297 8.705 20.575 10.537 1.00 20.86 C ATOM 738 CG2 ILE A 297 7.367 20.093 8.469 1.00 19.77 C ATOM 739 CD1 ILE A 297 9.900 21.078 9.758 1.00 21.63 C ATOM 740 H ILE A 297 6.039 20.806 11.675 1.00 0.00 H ATOM 741 N ARG A 298 7.983 17.357 11.907 1.00 22.90 N ATOM 742 CA ARG A 298 8.507 16.745 13.116 1.00 29.39 C ATOM 743 C ARG A 298 9.802 17.412 13.584 1.00 39.12 C ATOM 744 O ARG A 298 9.910 17.848 14.734 1.00 32.38 O ATOM 745 CB ARG A 298 8.720 15.258 12.890 1.00 40.81 C ATOM 746 CG ARG A 298 9.234 14.530 14.098 1.00 58.21 C ATOM 747 CD ARG A 298 9.726 13.166 13.687 1.00 71.87 C ATOM 748 NE ARG A 298 8.630 12.333 13.210 1.00 87.64 N ATOM 749 CZ ARG A 298 8.777 11.293 12.398 1.00 97.04 C ATOM 750 NH1 ARG A 298 9.979 10.960 11.945 1.00 63.55 N ATOM 751 NH2 ARG A 298 7.712 10.594 12.036 1.00 76.42 N ATOM 752 HE ARG A 298 7.668 12.569 13.527 1.00 0.00 H ATOM 753 HH12 ARG A 298 10.087 10.144 11.309 1.00 0.00 H ATOM 754 HH11 ARG A 298 10.813 11.515 12.226 1.00 0.00 H ATOM 755 HH22 ARG A 298 7.817 9.778 11.400 1.00 0.00 H ATOM 756 HH21 ARG A 298 6.770 10.861 12.387 1.00 0.00 H ATOM 757 H ARG A 298 8.135 16.899 10.986 1.00 0.00 H ATOM 758 N SER A 299 10.783 17.494 12.694 1.00 27.84 N ATOM 759 CA SER A 299 12.041 18.155 13.031 1.00 24.24 C ATOM 760 C SER A 299 12.655 18.810 11.805 1.00 24.39 C ATOM 761 O SER A 299 12.137 18.686 10.689 1.00 21.75 O ATOM 762 CB SER A 299 13.028 17.168 13.653 1.00 34.28 C ATOM 763 OG SER A 299 13.528 16.272 12.676 1.00 34.98 O ATOM 764 HG SER A 299 14.164 15.643 13.101 1.00 0.00 H ATOM 765 H SER A 299 10.655 17.083 11.747 1.00 0.00 H ATOM 766 N ARG A 300 13.764 19.508 12.022 1.00 25.24 N ATOM 767 CA ARG A 300 14.416 20.257 10.958 1.00 22.74 C ATOM 768 C ARG A 300 14.830 19.346 9.804 1.00 20.03 C ATOM 769 O ARG A 300 14.879 19.774 8.658 1.00 19.86 O ATOM 770 CB ARG A 300 15.632 21.003 11.509 1.00 30.30 C ATOM 771 CG ARG A 300 16.139 22.106 10.600 1.00 27.45 C ATOM 772 CD ARG A 300 17.341 22.796 11.197 1.00 31.26 C ATOM 773 NE ARG A 300 17.988 23.674 10.231 1.00 32.27 N ATOM 774 CZ ARG A 300 18.454 24.884 10.524 1.00 28.56 C ATOM 775 NH1 ARG A 300 18.338 25.361 11.755 1.00 46.35 N ATOM 776 NH2 ARG A 300 19.033 25.619 9.590 1.00 36.27 N ATOM 777 HE ARG A 300 18.091 23.334 9.254 1.00 0.00 H ATOM 778 HH12 ARG A 300 18.703 26.308 11.982 1.00 0.00 H ATOM 779 HH11 ARG A 300 17.882 24.788 12.494 1.00 0.00 H ATOM 780 HH22 ARG A 300 19.396 26.565 9.824 1.00 0.00 H ATOM 781 HH21 ARG A 300 19.125 25.251 8.622 1.00 0.00 H ATOM 782 H ARG A 300 14.177 19.520 12.976 1.00 0.00 H ATOM 783 N GLY A 301 15.122 18.082 10.111 1.00 22.51 N ATOM 784 CA GLY A 301 15.529 17.127 9.092 1.00 32.94 C ATOM 785 C GLY A 301 14.499 16.828 8.009 1.00 25.37 C ATOM 786 O GLY A 301 14.849 16.311 6.946 1.00 29.48 O ATOM 787 H GLY A 301 15.057 17.772 11.102 1.00 0.00 H ATOM 788 N ASP A 302 13.232 17.140 8.275 1.00 21.32 N ATOM 789 CA ASP A 302 12.164 16.914 7.305 1.00 19.56 C ATOM 790 C ASP A 302 12.245 17.902 6.142 1.00 30.35 C ATOM 791 O ASP A 302 11.720 17.642 5.058 1.00 24.05 O ATOM 792 CB ASP A 302 10.797 17.041 7.982 1.00 31.19 C ATOM 793 CG ASP A 302 10.561 15.973 9.033 1.00 45.94 C ATOM 794 OD1 ASP A 302 11.112 14.862 8.889 1.00 38.22 O ATOM 795 OD2 ASP A 302 9.817 16.244 10.000 1.00 63.56 O ATOM 796 H ASP A 302 12.997 17.556 9.199 1.00 0.00 H ATOM 797 N ILE A 303 12.899 19.036 6.385 1.00 18.68 N ATOM 798 CA ILE A 303 13.052 20.094 5.391 1.00 15.85 C ATOM 799 C ILE A 303 14.186 19.723 4.435 1.00 16.62 C ATOM 800 O ILE A 303 15.259 19.291 4.873 1.00 18.33 O ATOM 801 CB ILE A 303 13.344 21.444 6.099 1.00 12.87 C ATOM 802 CG1 ILE A 303 12.179 21.808 7.025 1.00 18.96 C ATOM 803 CG2 ILE A 303 13.594 22.573 5.089 1.00 18.04 C ATOM 804 CD1 ILE A 303 12.504 22.899 8.035 1.00 20.98 C ATOM 805 H ILE A 303 13.320 19.174 7.326 1.00 0.00 H ATOM 806 N PRO A 304 13.951 19.869 3.118 1.00 16.40 N ATOM 807 CA PRO A 304 14.962 19.481 2.128 1.00 17.98 C ATOM 808 C PRO A 304 16.311 20.172 2.333 1.00 18.72 C ATOM 809 O PRO A 304 16.346 21.313 2.785 1.00 15.30 O ATOM 810 CB PRO A 304 14.335 19.924 0.805 1.00 20.22 C ATOM 811 CG PRO A 304 12.864 19.814 1.048 1.00 21.41 C ATOM 812 CD PRO A 304 12.675 20.251 2.482 1.00 22.30 C ATOM 813 N ARG A 305 17.394 19.470 2.015 1.00 16.98 N ATOM 814 CA ARG A 305 18.758 19.977 2.163 1.00 16.91 C ATOM 815 C ARG A 305 18.944 21.377 1.570 1.00 21.15 C ATOM 816 O ARG A 305 19.524 22.261 2.215 1.00 17.86 O ATOM 817 CB ARG A 305 19.717 18.987 1.500 1.00 19.23 C ATOM 818 CG ARG A 305 21.195 19.241 1.713 1.00 29.82 C ATOM 819 CD ARG A 305 21.990 18.077 1.123 1.00 40.73 C ATOM 820 NE ARG A 305 23.427 18.219 1.306 1.00 47.28 N ATOM 821 CZ ARG A 305 24.311 17.290 0.959 1.00 64.82 C ATOM 822 NH1 ARG A 305 23.899 16.153 0.414 1.00 40.03 N ATOM 823 NH2 ARG A 305 25.606 17.495 1.158 1.00 74.97 N ATOM 824 HE ARG A 305 23.782 19.098 1.733 1.00 0.00 H ATOM 825 HH12 ARG A 305 24.591 15.426 0.142 1.00 0.00 H ATOM 826 HH11 ARG A 305 22.884 15.989 0.258 1.00 0.00 H ATOM 827 HH22 ARG A 305 26.296 16.766 0.885 1.00 0.00 H ATOM 828 HH21 ARG A 305 25.932 18.385 1.587 1.00 0.00 H ATOM 829 H ARG A 305 17.265 18.508 1.641 1.00 0.00 H ATOM 830 N ALA A 306 18.423 21.591 0.363 1.00 17.77 N ATOM 831 CA ALA A 306 18.641 22.852 -0.345 1.00 18.89 C ATOM 832 C ALA A 306 17.908 24.032 0.293 1.00 21.24 C ATOM 833 O ALA A 306 18.132 25.188 -0.088 1.00 24.00 O ATOM 834 CB ALA A 306 18.261 22.716 -1.815 1.00 18.78 C ATOM 835 H ALA A 306 17.850 20.847 -0.085 1.00 0.00 H ATOM 836 N CYS A 307 17.033 23.751 1.255 1.00 15.37 N ATOM 837 CA CYS A 307 16.324 24.819 1.961 1.00 11.33 C ATOM 838 C CYS A 307 16.976 25.214 3.279 1.00 12.82 C ATOM 839 O CYS A 307 16.612 26.238 3.864 1.00 15.17 O ATOM 840 CB CYS A 307 14.885 24.394 2.283 1.00 15.75 C ATOM 841 SG CYS A 307 13.669 24.642 0.980 1.00 15.91 S ATOM 842 H CYS A 307 16.850 22.759 1.509 1.00 0.00 H ATOM 843 N GLN A 308 17.912 24.399 3.765 1.00 14.11 N ATOM 844 CA GLN A 308 18.368 24.507 5.147 1.00 16.04 C ATOM 845 C GLN A 308 18.989 25.853 5.476 1.00 14.46 C ATOM 846 O GLN A 308 18.718 26.423 6.540 1.00 17.03 O ATOM 847 CB GLN A 308 19.349 23.379 5.473 1.00 15.94 C ATOM 848 CG GLN A 308 18.696 21.993 5.557 1.00 19.43 C ATOM 849 CD GLN A 308 17.870 21.804 6.819 1.00 19.57 C ATOM 850 OE1 GLN A 308 18.157 22.397 7.857 1.00 20.21 O ATOM 851 NE2 GLN A 308 16.841 20.968 6.735 1.00 18.29 N ATOM 852 HE22 GLN A 308 16.634 20.487 5.836 1.00 0.00 H ATOM 853 HE21 GLN A 308 16.243 20.795 7.568 1.00 0.00 H ATOM 854 H GLN A 308 18.326 23.672 3.147 1.00 0.00 H ATOM 855 N LYS A 309 19.802 26.374 4.563 1.00 14.66 N ATOM 856 CA LYS A 309 20.446 27.663 4.800 1.00 15.68 C ATOM 857 C LYS A 309 19.504 28.863 4.660 1.00 21.53 C ATOM 858 O LYS A 309 19.895 29.989 4.967 1.00 17.24 O ATOM 859 CB LYS A 309 21.676 27.831 3.907 1.00 16.14 C ATOM 860 CG LYS A 309 22.826 26.890 4.290 1.00 18.23 C ATOM 861 CD LYS A 309 24.083 27.166 3.461 1.00 23.20 C ATOM 862 CE LYS A 309 25.195 26.164 3.773 1.00 23.33 C ATOM 863 NZ LYS A 309 24.840 24.778 3.370 1.00 39.15 N ATOM 864 HZ1 LYS A 309 23.985 24.478 3.880 1.00 0.00 H ATOM 865 HZ2 LYS A 309 24.661 24.751 2.346 1.00 0.00 H ATOM 866 HZ3 LYS A 309 25.626 24.138 3.603 1.00 0.00 H ATOM 867 H LYS A 309 19.980 25.861 3.676 1.00 0.00 H ATOM 868 N SER A 310 18.274 28.618 4.212 1.00 12.80 N ATOM 869 CA SER A 310 17.273 29.676 4.078 1.00 13.63 C ATOM 870 C SER A 310 16.317 29.717 5.265 1.00 12.13 C ATOM 871 O SER A 310 15.379 30.515 5.285 1.00 16.80 O ATOM 872 CB SER A 310 16.467 29.488 2.790 1.00 17.76 C ATOM 873 OG SER A 310 17.290 29.583 1.639 1.00 17.50 O ATOM 874 HG SER A 310 17.717 30.476 1.613 1.00 0.00 H ATOM 875 H SER A 310 18.017 27.645 3.949 1.00 0.00 H ATOM 876 N LEU A 311 16.544 28.852 6.248 1.00 12.04 N ATOM 877 CA LEU A 311 15.717 28.831 7.445 1.00 13.13 C ATOM 878 C LEU A 311 16.217 29.839 8.474 1.00 14.95 C ATOM 879 O LEU A 311 17.412 29.904 8.755 1.00 17.59 O ATOM 880 CB LEU A 311 15.729 27.443 8.065 1.00 12.37 C ATOM 881 CG LEU A 311 15.128 26.366 7.169 1.00 13.47 C ATOM 882 CD1 LEU A 311 15.476 25.012 7.746 1.00 14.87 C ATOM 883 CD2 LEU A 311 13.616 26.549 7.107 1.00 16.15 C ATOM 884 H LEU A 311 17.329 28.176 6.160 1.00 0.00 H ATOM 885 N ARG A 312 15.291 30.605 9.045 1.00 12.29 N ATOM 886 CA ARG A 312 15.637 31.716 9.919 1.00 15.64 C ATOM 887 C ARG A 312 14.697 31.779 11.110 1.00 15.55 C ATOM 888 O ARG A 312 13.572 31.289 11.041 1.00 16.57 O ATOM 889 CB ARG A 312 15.472 33.026 9.154 1.00 13.80 C ATOM 890 CG ARG A 312 16.242 33.122 7.846 1.00 15.57 C ATOM 891 CD ARG A 312 17.744 33.181 8.087 1.00 15.58 C ATOM 892 NE ARG A 312 18.463 32.665 6.922 1.00 20.74 N ATOM 893 CZ ARG A 312 18.566 33.305 5.762 1.00 24.48 C ATOM 894 NH1 ARG A 312 18.008 34.500 5.608 1.00 18.29 N ATOM 895 NH2 ARG A 312 19.223 32.752 4.748 1.00 20.41 N ATOM 896 HE ARG A 312 18.924 31.736 7.007 1.00 0.00 H ATOM 897 HH12 ARG A 312 18.090 34.999 4.699 1.00 0.00 H ATOM 898 HH11 ARG A 312 17.489 34.937 6.396 1.00 0.00 H ATOM 899 HH22 ARG A 312 19.301 33.257 3.842 1.00 0.00 H ATOM 900 HH21 ARG A 312 19.659 31.815 4.860 1.00 0.00 H ATOM 901 H ARG A 312 14.288 30.403 8.861 1.00 0.00 H ATOM 902 N PRO A 313 15.131 32.436 12.194 1.00 16.47 N ATOM 903 CA PRO A 313 14.183 32.734 13.275 1.00 19.28 C ATOM 904 C PRO A 313 12.978 33.486 12.710 1.00 17.25 C ATOM 905 O PRO A 313 13.147 34.273 11.777 1.00 17.42 O ATOM 906 CB PRO A 313 14.988 33.660 14.186 1.00 17.45 C ATOM 907 CG PRO A 313 16.416 33.243 13.967 1.00 18.03 C ATOM 908 CD PRO A 313 16.492 32.916 12.497 1.00 17.38 C ATOM 909 N VAL A 314 11.786 33.229 13.234 1.00 14.19 N ATOM 910 CA VAL A 314 10.583 33.900 12.743 1.00 15.66 C ATOM 911 C VAL A 314 10.500 35.322 13.304 1.00 19.85 C ATOM 912 O VAL A 314 10.543 35.506 14.518 1.00 22.17 O ATOM 913 CB VAL A 314 9.326 33.117 13.147 1.00 22.33 C ATOM 914 CG1 VAL A 314 8.067 33.782 12.595 1.00 20.88 C ATOM 915 CG2 VAL A 314 9.432 31.693 12.642 1.00 20.42 C ATOM 916 H VAL A 314 11.706 32.538 14.007 1.00 0.00 H ATOM 917 N PRO A 315 10.379 36.330 12.416 1.00 16.22 N ATOM 918 CA PRO A 315 10.295 37.739 12.825 1.00 23.72 C ATOM 919 C PRO A 315 8.881 38.094 13.309 1.00 21.77 C ATOM 920 O PRO A 315 7.981 37.274 13.173 1.00 19.71 O ATOM 921 CB PRO A 315 10.623 38.481 11.524 1.00 25.54 C ATOM 922 CG PRO A 315 10.099 37.603 10.469 1.00 23.78 C ATOM 923 CD PRO A 315 10.340 36.189 10.950 1.00 18.89 C ATOM 924 N PRO A 316 8.682 39.344 13.776 1.00 27.67 N ATOM 925 CA PRO A 316 7.403 39.755 14.372 1.00 25.03 C ATOM 926 C PRO A 316 6.012 39.805 13.694 1.00 32.71 C ATOM 927 O PRO A 316 5.020 40.090 14.368 1.00 64.38 O ATOM 928 CB PRO A 316 7.736 41.072 15.078 1.00 31.30 C ATOM 929 CG PRO A 316 9.190 41.035 15.332 1.00 32.21 C ATOM 930 CD PRO A 316 9.782 40.228 14.222 1.00 28.57 C ATOM 931 N SER A 317 5.941 39.413 12.444 1.00 29.38 N ATOM 932 CA SER A 317 4.925 39.849 11.478 1.00 22.54 C ATOM 933 C SER A 317 5.442 39.520 10.087 1.00 25.54 C ATOM 934 O SER A 317 5.506 40.393 9.217 1.00 22.76 O ATOM 935 CB SER A 317 4.601 41.344 11.590 1.00 42.63 C ATOM 936 OG SER A 317 3.435 41.679 10.858 1.00 56.78 O ATOM 937 HG SER A 317 3.572 41.458 9.903 1.00 0.00 H ATOM 938 H SER A 317 6.661 38.740 12.111 1.00 0.00 H ATOM 939 N PRO A 318 5.823 38.254 9.868 1.00 22.87 N ATOM 940 CA PRO A 318 6.351 37.924 8.543 1.00 18.76 C ATOM 941 C PRO A 318 5.249 37.992 7.498 1.00 17.04 C ATOM 942 O PRO A 318 4.072 37.767 7.807 1.00 18.39 O ATOM 943 CB PRO A 318 6.839 36.485 8.714 1.00 20.78 C ATOM 944 CG PRO A 318 5.941 35.911 9.754 1.00 23.38 C ATOM 945 CD PRO A 318 5.660 37.051 10.710 1.00 24.97 C ATOM 946 N LYS A 319 5.626 38.346 6.274 1.00 16.41 N ATOM 947 CA LYS A 319 4.667 38.451 5.185 1.00 15.39 C ATOM 948 C LYS A 319 5.198 37.720 3.963 1.00 23.28 C ATOM 949 O LYS A 319 6.386 37.784 3.663 1.00 17.77 O ATOM 950 CB LYS A 319 4.412 39.920 4.846 1.00 22.25 C ATOM 951 CG LYS A 319 3.767 40.716 5.970 1.00 20.34 C ATOM 952 CD LYS A 319 2.284 40.426 6.067 1.00 23.88 C ATOM 953 CE LYS A 319 1.677 41.118 7.279 1.00 41.81 C ATOM 954 NZ LYS A 319 2.146 42.524 7.393 1.00 39.94 N ATOM 955 HZ1 LYS A 319 3.181 42.536 7.490 1.00 0.00 H ATOM 956 HZ2 LYS A 319 1.870 43.050 6.539 1.00 0.00 H ATOM 957 HZ3 LYS A 319 1.713 42.966 8.229 1.00 0.00 H ATOM 958 H LYS A 319 6.629 38.553 6.090 1.00 0.00 H ATOM 959 N ILE A 320 4.309 37.014 3.270 1.00 15.87 N ATOM 960 CA ILE A 320 4.696 36.267 2.072 1.00 14.94 C ATOM 961 C ILE A 320 5.322 37.185 1.012 1.00 16.45 C ATOM 962 O ILE A 320 6.336 36.834 0.390 1.00 16.23 O ATOM 963 CB ILE A 320 3.483 35.516 1.469 1.00 15.08 C ATOM 964 CG1 ILE A 320 3.043 34.360 2.382 1.00 14.54 C ATOM 965 CG2 ILE A 320 3.811 35.011 0.066 1.00 16.87 C ATOM 966 CD1 ILE A 320 1.664 33.813 2.046 1.00 18.83 C ATOM 967 H ILE A 320 3.318 36.992 3.586 1.00 0.00 H ATOM 968 N ASP A 321 4.741 38.373 0.822 1.00 18.53 N ATOM 969 CA ASP A 321 5.203 39.283 -0.220 1.00 20.61 C ATOM 970 C ASP A 321 6.450 40.088 0.176 1.00 21.88 C ATOM 971 O ASP A 321 6.934 40.904 -0.597 1.00 26.50 O ATOM 972 CB ASP A 321 4.065 40.202 -0.694 1.00 22.93 C ATOM 973 CG ASP A 321 3.530 41.099 0.406 1.00 26.83 C ATOM 974 OD1 ASP A 321 3.949 40.956 1.572 1.00 31.71 O ATOM 975 OD2 ASP A 321 2.667 41.952 0.099 1.00 30.64 O ATOM 976 H ASP A 321 3.944 38.654 1.429 1.00 0.00 H ATOM 977 N ARG A 322 6.965 39.806 1.372 1.00 20.79 N ATOM 978 CA ARG A 322 8.270 40.275 1.816 1.00 22.12 C ATOM 979 C ARG A 322 9.278 39.120 1.845 1.00 20.86 C ATOM 980 O ARG A 322 10.388 39.268 2.360 1.00 21.35 O ATOM 981 CB ARG A 322 8.160 40.897 3.206 1.00 23.24 C ATOM 982 CG ARG A 322 7.376 42.208 3.240 1.00 39.92 C ATOM 983 CD ARG A 322 7.963 43.237 2.284 1.00 61.38 C ATOM 984 NE ARG A 322 9.255 43.742 2.744 1.00 90.83 N ATOM 985 CZ ARG A 322 9.406 44.800 3.537 1.00 93.31 C ATOM 986 NH1 ARG A 322 8.341 45.468 3.966 1.00 74.42 N ATOM 987 NH2 ARG A 322 10.621 45.192 3.904 1.00 75.76 N ATOM 988 HE ARG A 322 10.112 43.242 2.431 1.00 0.00 H ATOM 989 HH12 ARG A 322 8.461 46.295 4.586 1.00 0.00 H ATOM 990 HH11 ARG A 322 7.388 45.164 3.682 1.00 0.00 H ATOM 991 HH22 ARG A 322 10.735 46.019 4.524 1.00 0.00 H ATOM 992 HH21 ARG A 322 11.458 44.672 3.572 1.00 0.00 H ATOM 993 H ARG A 322 6.405 39.220 2.023 1.00 0.00 H ATOM 994 N GLY A 323 8.881 37.962 1.319 1.00 18.96 N ATOM 995 CA GLY A 323 9.834 36.882 1.105 1.00 17.13 C ATOM 996 C GLY A 323 9.771 35.765 2.125 1.00 19.58 C ATOM 997 O GLY A 323 10.535 34.805 2.049 1.00 16.69 O ATOM 998 H GLY A 323 7.883 37.828 1.059 1.00 0.00 H ATOM 999 N TRP A 324 8.870 35.881 3.091 1.00 14.32 N ATOM 1000 CA TRP A 324 8.635 34.774 4.016 1.00 12.28 C ATOM 1001 C TRP A 324 7.654 33.760 3.448 1.00 15.23 C ATOM 1002 O TRP A 324 6.436 33.961 3.483 1.00 13.89 O ATOM 1003 CB TRP A 324 8.198 35.291 5.390 1.00 12.79 C ATOM 1004 CG TRP A 324 9.246 36.143 5.993 1.00 14.95 C ATOM 1005 CD1 TRP A 324 9.341 37.496 5.908 1.00 16.93 C ATOM 1006 CD2 TRP A 324 10.380 35.708 6.758 1.00 19.06 C ATOM 1007 NE1 TRP A 324 10.458 37.940 6.579 1.00 21.76 N ATOM 1008 CE2 TRP A 324 11.115 36.864 7.100 1.00 22.26 C ATOM 1009 CE3 TRP A 324 10.845 34.456 7.166 1.00 16.13 C ATOM 1010 CZ2 TRP A 324 12.293 36.803 7.857 1.00 26.33 C ATOM 1011 CZ3 TRP A 324 12.017 34.396 7.916 1.00 14.53 C ATOM 1012 CH2 TRP A 324 12.723 35.569 8.261 1.00 17.36 C ATOM 1013 HE1 TRP A 324 10.753 38.933 6.673 1.00 0.00 H ATOM 1014 H TRP A 324 8.328 36.763 3.191 1.00 0.00 H ATOM 1015 N VAL A 325 8.217 32.666 2.936 1.00 14.10 N ATOM 1016 CA VAL A 325 7.488 31.610 2.228 1.00 11.25 C ATOM 1017 C VAL A 325 6.523 30.825 3.116 1.00 10.43 C ATOM 1018 O VAL A 325 5.343 30.697 2.802 1.00 12.46 O ATOM 1019 CB VAL A 325 8.474 30.623 1.579 1.00 11.76 C ATOM 1020 CG1 VAL A 325 7.735 29.452 0.947 1.00 13.33 C ATOM 1021 CG2 VAL A 325 9.363 31.347 0.556 1.00 13.16 C ATOM 1022 H VAL A 325 9.245 32.554 3.047 1.00 0.00 H ATOM 1023 N CYS A 326 7.038 30.322 4.233 1.00 10.72 N ATOM 1024 CA CYS A 326 6.212 29.578 5.163 1.00 11.88 C ATOM 1025 C CYS A 326 6.903 29.550 6.511 1.00 15.87 C ATOM 1026 O CYS A 326 8.063 29.956 6.651 1.00 14.46 O ATOM 1027 CB CYS A 326 5.982 28.152 4.663 1.00 14.91 C ATOM 1028 SG CYS A 326 7.489 27.173 4.395 1.00 16.08 S ATOM 1029 H CYS A 326 8.047 30.464 4.443 1.00 0.00 H ATOM 1030 N VAL A 327 6.170 29.074 7.505 1.00 15.01 N ATOM 1031 CA VAL A 327 6.721 28.928 8.833 1.00 16.02 C ATOM 1032 C VAL A 327 6.557 27.461 9.191 1.00 11.59 C ATOM 1033 O VAL A 327 5.448 26.919 9.142 1.00 15.66 O ATOM 1034 CB VAL A 327 5.978 29.836 9.836 1.00 16.03 C ATOM 1035 CG1 VAL A 327 6.216 29.378 11.267 1.00 17.43 C ATOM 1036 CG2 VAL A 327 6.384 31.317 9.647 1.00 17.54 C ATOM 1037 H VAL A 327 5.182 28.801 7.328 1.00 0.00 H ATOM 1038 N PHE A 328 7.672 26.812 9.506 1.00 14.32 N ATOM 1039 CA PHE A 328 7.638 25.412 9.916 1.00 14.36 C ATOM 1040 C PHE A 328 7.487 25.339 11.424 1.00 16.36 C ATOM 1041 O PHE A 328 8.270 25.945 12.160 1.00 20.58 O ATOM 1042 CB PHE A 328 8.907 24.682 9.483 1.00 15.58 C ATOM 1043 CG PHE A 328 9.014 24.482 7.993 1.00 15.58 C ATOM 1044 CD1 PHE A 328 9.973 25.164 7.255 1.00 16.21 C ATOM 1045 CD2 PHE A 328 8.143 23.626 7.326 1.00 13.66 C ATOM 1046 CE1 PHE A 328 10.077 24.979 5.880 1.00 19.62 C ATOM 1047 CE2 PHE A 328 8.233 23.435 5.939 1.00 13.91 C ATOM 1048 CZ PHE A 328 9.208 24.113 5.218 1.00 19.36 C ATOM 1049 H PHE A 328 8.584 27.310 9.460 1.00 0.00 H ATOM 1050 N GLN A 329 6.473 24.603 11.877 1.00 15.33 N ATOM 1051 CA GLN A 329 6.213 24.442 13.308 1.00 18.22 C ATOM 1052 C GLN A 329 6.696 23.047 13.667 1.00 28.07 C ATOM 1053 O GLN A 329 6.108 22.055 13.228 1.00 21.28 O ATOM 1054 CB GLN A 329 4.717 24.595 13.613 1.00 18.30 C ATOM 1055 CG GLN A 329 4.432 25.061 15.044 1.00 29.46 C ATOM 1056 CD GLN A 329 2.958 25.082 15.412 1.00 72.79 C ATOM 1057 OE1 GLN A 329 2.372 24.046 15.713 1.00 79.42 O ATOM 1058 NE2 GLN A 329 2.359 26.270 15.413 1.00 77.06 N ATOM 1059 HE22 GLN A 329 2.894 27.122 15.151 1.00 0.00 H ATOM 1060 HE21 GLN A 329 1.356 26.346 15.676 1.00 0.00 H ATOM 1061 H GLN A 329 5.848 24.129 11.194 1.00 0.00 H ATOM 1062 N LEU A 330 7.778 22.967 14.440 1.00 19.96 N ATOM 1063 CA LEU A 330 8.406 21.684 14.738 1.00 22.12 C ATOM 1064 C LEU A 330 7.752 21.002 15.935 1.00 19.87 C ATOM 1065 O LEU A 330 7.149 21.664 16.786 1.00 27.59 O ATOM 1066 CB LEU A 330 9.915 21.846 14.960 1.00 29.71 C ATOM 1067 CG LEU A 330 10.816 22.031 13.730 1.00 21.84 C ATOM 1068 CD1 LEU A 330 10.515 23.298 12.955 1.00 25.78 C ATOM 1069 CD2 LEU A 330 12.277 22.021 14.156 1.00 29.89 C ATOM 1070 H LEU A 330 8.184 23.837 14.840 1.00 0.00 H ATOM 1071 N GLN A 331 7.859 19.676 15.998 1.00 23.00 N ATOM 1072 CA GLN A 331 7.130 18.920 17.012 1.00 34.97 C ATOM 1073 C GLN A 331 7.492 19.334 18.443 1.00 31.08 C ATOM 1074 O GLN A 331 6.646 19.287 19.336 1.00 38.01 O ATOM 1075 CB GLN A 331 7.340 17.419 16.816 1.00 32.87 C ATOM 1076 CG GLN A 331 6.327 16.548 17.558 1.00 59.43 C ATOM 1077 CD GLN A 331 5.064 16.300 16.751 1.00 73.16 C ATOM 1078 OE1 GLN A 331 5.099 15.631 15.719 1.00 77.68 O ATOM 1079 NE2 GLN A 331 3.943 16.837 17.218 1.00 67.90 N ATOM 1080 HE22 GLN A 331 3.960 17.396 18.095 1.00 0.00 H ATOM 1081 HE21 GLN A 331 3.048 16.699 16.707 1.00 0.00 H ATOM 1082 H GLN A 331 8.467 19.175 15.319 1.00 0.00 H ATOM 1083 N ASP A 332 8.735 19.763 18.653 1.00 29.17 N ATOM 1084 CA ASP A 332 9.197 20.108 20.002 1.00 27.28 C ATOM 1085 C ASP A 332 8.950 21.572 20.366 1.00 45.23 C ATOM 1086 O ASP A 332 9.381 22.040 21.421 1.00 42.07 O ATOM 1087 CB ASP A 332 10.677 19.744 20.185 1.00 47.98 C ATOM 1088 CG ASP A 332 11.606 20.566 19.302 1.00 68.69 C ATOM 1089 OD1 ASP A 332 11.120 21.382 18.489 1.00 31.43 O ATOM 1090 OD2 ASP A 332 12.838 20.388 19.421 1.00 38.61 O ATOM 1091 H ASP A 332 9.388 19.855 17.849 1.00 0.00 H ATOM 1092 N GLY A 333 8.271 22.294 19.481 1.00 30.94 N ATOM 1093 CA GLY A 333 7.893 23.667 19.760 1.00 25.85 C ATOM 1094 C GLY A 333 8.721 24.709 19.034 1.00 24.46 C ATOM 1095 O GLY A 333 8.331 25.881 18.970 1.00 34.11 O ATOM 1096 H GLY A 333 8.005 21.867 18.571 1.00 0.00 H ATOM 1097 N LYS A 334 9.864 24.288 18.494 1.00 21.28 N ATOM 1098 CA LYS A 334 10.701 25.170 17.681 1.00 19.70 C ATOM 1099 C LYS A 334 9.934 25.671 16.463 1.00 20.78 C ATOM 1100 O LYS A 334 9.048 24.990 15.956 1.00 19.85 O ATOM 1101 CB LYS A 334 11.959 24.436 17.206 1.00 20.23 C ATOM 1102 CG LYS A 334 12.953 24.086 18.315 1.00 24.31 C ATOM 1103 CD LYS A 334 14.122 23.282 17.744 1.00 23.12 C ATOM 1104 CE LYS A 334 15.308 23.249 18.697 1.00 32.74 C ATOM 1105 NZ LYS A 334 14.981 22.583 19.976 1.00 34.76 N ATOM 1106 HZ1 LYS A 334 14.205 23.094 20.443 1.00 0.00 H ATOM 1107 HZ2 LYS A 334 14.689 21.602 19.790 1.00 0.00 H ATOM 1108 HZ3 LYS A 334 15.820 22.585 20.591 1.00 0.00 H ATOM 1109 H LYS A 334 10.169 23.307 18.655 1.00 0.00 H ATOM 1110 N THR A 335 10.289 26.861 15.988 1.00 16.60 N ATOM 1111 CA THR A 335 9.649 27.436 14.807 1.00 14.91 C ATOM 1112 C THR A 335 10.697 28.113 13.945 1.00 13.81 C ATOM 1113 O THR A 335 11.576 28.820 14.440 1.00 17.76 O ATOM 1114 CB THR A 335 8.553 28.475 15.150 1.00 16.25 C ATOM 1115 OG1 THR A 335 9.138 29.611 15.800 1.00 19.39 O ATOM 1116 CG2 THR A 335 7.476 27.872 16.048 1.00 30.02 C ATOM 1117 HG1 THR A 335 9.583 29.319 16.635 1.00 0.00 H ATOM 1118 H THR A 335 11.040 27.396 16.469 1.00 0.00 H ATOM 1119 N LEU A 336 10.622 27.865 12.640 1.00 13.90 N ATOM 1120 CA LEU A 336 11.595 28.407 11.691 1.00 12.06 C ATOM 1121 C LEU A 336 10.870 28.953 10.475 1.00 17.90 C ATOM 1122 O LEU A 336 9.972 28.301 9.947 1.00 16.98 O ATOM 1123 CB LEU A 336 12.566 27.314 11.237 1.00 18.84 C ATOM 1124 CG LEU A 336 13.593 26.917 12.298 1.00 18.63 C ATOM 1125 CD1 LEU A 336 14.371 25.704 11.857 1.00 22.49 C ATOM 1126 CD2 LEU A 336 14.532 28.085 12.548 1.00 17.31 C ATOM 1127 H LEU A 336 9.849 27.268 12.284 1.00 0.00 H ATOM 1128 N GLY A 337 11.253 30.145 10.033 1.00 14.11 N ATOM 1129 CA GLY A 337 10.694 30.695 8.808 1.00 15.47 C ATOM 1130 C GLY A 337 11.595 30.415 7.621 1.00 14.19 C ATOM 1131 O GLY A 337 12.823 30.421 7.749 1.00 13.24 O ATOM 1132 H GLY A 337 11.959 30.690 10.568 1.00 0.00 H ATOM 1133 N LEU A 338 10.993 30.162 6.466 1.00 13.05 N ATOM 1134 CA LEU A 338 11.762 30.000 5.239 1.00 12.38 C ATOM 1135 C LEU A 338 11.782 31.344 4.501 1.00 14.60 C ATOM 1136 O LEU A 338 10.726 31.900 4.158 1.00 13.42 O ATOM 1137 CB LEU A 338 11.169 28.879 4.384 1.00 13.38 C ATOM 1138 CG LEU A 338 11.897 28.573 3.082 1.00 13.24 C ATOM 1139 CD1 LEU A 338 13.280 28.023 3.386 1.00 15.31 C ATOM 1140 CD2 LEU A 338 11.091 27.588 2.277 1.00 11.59 C ATOM 1141 H LEU A 338 9.957 30.078 6.436 1.00 0.00 H ATOM 1142 N LYS A 339 12.983 31.868 4.284 1.00 13.18 N ATOM 1143 CA LYS A 339 13.144 33.213 3.729 1.00 16.05 C ATOM 1144 C LYS A 339 13.761 33.170 2.342 1.00 17.89 C ATOM 1145 O LYS A 339 14.734 32.443 2.114 1.00 16.85 O ATOM 1146 CB LYS A 339 14.037 34.068 4.645 1.00 17.32 C ATOM 1147 CG LYS A 339 14.220 35.519 4.184 1.00 22.70 C ATOM 1148 CD LYS A 339 12.872 36.209 4.046 1.00 21.32 C ATOM 1149 CE LYS A 339 13.004 37.725 3.929 1.00 20.00 C ATOM 1150 NZ LYS A 339 13.889 38.148 2.819 1.00 22.57 N ATOM 1151 HZ1 LYS A 339 14.842 37.759 2.969 1.00 0.00 H ATOM 1152 HZ2 LYS A 339 13.507 37.794 1.919 1.00 0.00 H ATOM 1153 HZ3 LYS A 339 13.937 39.187 2.792 1.00 0.00 H ATOM 1154 H LYS A 339 13.829 31.309 4.514 1.00 0.00 H ATOM 1155 N ILE A 340 13.171 33.930 1.419 1.00 16.17 N ATOM 1156 CA ILE A 340 13.795 34.241 0.132 1.00 23.39 C ATOM 1157 C ILE A 340 14.061 35.748 0.089 1.00 21.47 C ATOM 1158 O ILE A 340 13.194 36.520 0.500 1.00 21.31 O ATOM 1159 CB ILE A 340 12.878 33.837 -1.051 1.00 20.20 C ATOM 1160 CG1 ILE A 340 12.694 32.321 -1.086 1.00 20.87 C ATOM 1161 CG2 ILE A 340 13.461 34.305 -2.371 1.00 19.75 C ATOM 1162 CD1 ILE A 340 11.778 31.839 -2.191 1.00 17.70 C ATOM 1163 OXT ILE A 340 15.114 36.239 -0.333 1.00 25.78 O ATOM 1164 H ILE A 340 12.228 34.318 1.622 1.00 0.00 H TER 1165 ILE A 340 HETATM 1166 O HOH 1 -8.607 33.400 -13.854 1.00 13.98 O HETATM 1167 O HOH 2 17.055 32.086 0.879 1.00 13.91 O HETATM 1168 O HOH 3 1.525 28.566 14.943 1.00 30.68 O HETATM 1169 O HOH 4 -1.309 28.913 8.589 1.00 20.96 O HETATM 1170 O HOH 5 11.895 31.305 15.545 1.00 16.97 O HETATM 1171 O HOH 6 11.471 33.996 -19.309 1.00 17.22 O HETATM 1172 O HOH 7 -3.874 18.624 -7.315 1.00 28.04 O HETATM 1173 O HOH 8 -8.729 30.114 -10.738 1.00 21.10 O HETATM 1174 O HOH 9 12.699 21.341 -10.468 1.00 21.34 O HETATM 1175 O HOH 10 15.269 26.581 -7.726 1.00 17.42 O HETATM 1176 O HOH 11 17.077 27.692 -0.381 1.00 25.66 O HETATM 1177 O HOH 12 -8.260 27.320 -8.703 1.00 18.02 O HETATM 1178 O HOH 13 10.265 29.706 18.309 1.00 24.62 O HETATM 1179 O HOH 14 7.894 37.350 -1.982 1.00 23.21 O HETATM 1180 O HOH 15 -0.672 34.342 -19.336 1.00 21.50 O HETATM 1181 O HOH 16 2.630 38.547 -14.597 1.00 21.48 O HETATM 1182 O HOH 17 -8.309 32.632 -11.124 1.00 14.09 O HETATM 1183 O HOH 18 14.939 20.338 14.685 1.00 38.33 O HETATM 1184 O HOH 19 -9.013 25.370 -6.537 1.00 25.96 O HETATM 1185 O HOH 20 7.785 40.509 6.487 1.00 22.95 O HETATM 1186 O HOH 21 20.657 25.076 2.209 1.00 27.24 O HETATM 1187 O HOH 22 -4.052 28.832 9.064 1.00 39.96 O HETATM 1188 O HOH 23 17.374 19.565 -1.586 1.00 20.09 O HETATM 1189 O HOH 24 -6.265 21.237 -7.294 1.00 27.37 O HETATM 1190 O HOH 25 4.237 36.490 -12.084 1.00 21.50 O HETATM 1191 O HOH 26 -3.396 39.015 -10.476 1.00 23.95 O HETATM 1192 O HOH 27 8.999 28.231 20.216 1.00 31.74 O HETATM 1193 O HOH 28 14.537 36.833 11.446 1.00 29.03 O HETATM 1194 O HOH 29 23.082 24.771 1.055 1.00 38.88 O HETATM 1195 O HOH 30 5.229 26.646 -18.826 1.00 40.31 O HETATM 1196 O HOH 31 -8.233 25.705 -11.133 1.00 29.36 O HETATM 1197 O HOH 32 18.312 29.728 11.332 1.00 28.98 O HETATM 1198 O HOH 33 9.887 39.229 -1.812 1.00 29.75 O HETATM 1199 O HOH 34 17.045 36.560 7.475 1.00 33.36 O HETATM 1200 O HOH 35 11.465 19.862 -4.663 1.00 38.09 O HETATM 1201 O HOH 36 1.687 19.559 -15.151 1.00 29.98 O HETATM 1202 O HOH 37 3.705 40.170 -16.518 1.00 37.62 O HETATM 1203 O HOH 38 -8.676 22.705 -7.512 1.00 40.51 O HETATM 1204 O HOH 39 13.817 22.090 -14.069 1.00 42.27 O HETATM 1205 O HOH 40 12.179 31.364 -18.709 1.00 24.49 O HETATM 1206 O HOH 41 17.444 29.724 -13.238 1.00 31.89 O HETATM 1207 O HOH 42 19.705 28.156 8.370 1.00 33.50 O HETATM 1208 O HOH 43 1.192 34.840 -21.366 1.00 34.88 O HETATM 1209 O HOH 44 3.635 38.862 -20.975 1.00 28.43 O HETATM 1210 O HOH 45 7.117 31.912 16.061 1.00 33.12 O HETATM 1211 O HOH 46 10.936 34.054 16.778 1.00 33.73 O HETATM 1212 O HOH 47 3.661 43.091 3.312 1.00 39.58 O HETATM 1213 O HOH 48 6.202 35.827 14.764 1.00 31.38 O HETATM 1214 O HOH 49 -4.446 23.295 5.304 1.00 44.72 O HETATM 1215 O HOH 50 17.341 31.742 -13.354 1.00 28.72 O HETATM 1216 O HOH 51 -4.631 31.310 8.830 1.00 37.87 O HETATM 1217 O HOH 52 2.367 38.200 9.981 1.00 26.49 O HETATM 1218 O HOH 53 23.194 23.533 5.483 1.00 42.25 O HETATM 1219 O HOH 54 -5.757 30.920 0.262 1.00 24.36 O HETATM 1220 O HOH 55 4.003 28.325 14.417 1.00 40.86 O HETATM 1221 O HOH 56 -1.432 31.994 4.846 1.00 39.22 O HETATM 1222 O HOH 57 -2.525 41.074 -14.061 1.00 26.40 O HETATM 1223 O HOH 58 -8.887 27.788 -15.865 1.00 32.17 O HETATM 1224 O HOH 59 16.146 23.408 14.531 1.00 27.93 O HETATM 1225 O HOH 60 1.754 37.046 -22.051 1.00 35.49 O HETATM 1226 O HOH 61 11.836 19.146 -8.258 1.00 41.41 O HETATM 1227 O HOH 62 16.636 28.930 -8.127 1.00 20.55 O HETATM 1228 O HOH 63 19.432 22.425 -11.996 1.00 34.60 O HETATM 1229 O HOH 64 -0.817 21.178 15.040 1.00 38.99 O HETATM 1230 O HOH 65 19.426 21.813 -5.420 1.00 22.18 O HETATM 1231 O HOH 66 -0.452 31.304 9.076 1.00 31.14 O HETATM 1232 O HOH 67 -11.278 25.696 -3.097 1.00 42.82 O HETATM 1233 O HOH 68 2.632 38.253 -11.205 1.00 34.12 O HETATM 1234 O HOH 69 2.667 32.760 9.897 1.00 35.93 O HETATM 1235 O HOH 70 -6.387 36.085 -6.070 1.00 44.57 O HETATM 1236 O HOH 71 11.119 17.592 -6.868 1.00 43.91 O HETATM 1237 O HOH 72 5.010 32.003 -21.144 1.00 37.99 O HETATM 1238 O HOH 73 -4.251 29.991 -16.770 1.00 35.04 O HETATM 1239 O HOH 74 11.952 29.333 -17.184 1.00 30.32 O HETATM 1240 O HOH 75 -8.207 35.615 -7.098 1.00 40.02 O HETATM 1241 O HOH 76 -8.498 37.596 -10.428 1.00 42.90 O HETATM 1242 O HOH 77 -6.375 29.446 2.517 1.00 30.34 O HETATM 1243 O HOH 78 16.658 37.868 2.978 1.00 30.89 O HETATM 1244 O HOH 79 17.494 30.011 -5.736 1.00 40.32 O HETATM 1245 O HOH 80 2.235 39.043 2.046 1.00 36.48 O HETATM 1246 O HOH 81 -9.550 26.719 -12.927 1.00 32.26 O HETATM 1247 O HOH 82 -8.292 33.981 0.635 1.00 39.94 O HETATM 1248 O HOH 83 19.823 25.898 -2.469 1.00 37.87 O HETATM 1249 O HOH 84 9.251 21.335 -2.347 1.00 37.10 O HETATM 1250 O HOH 85 -2.455 29.600 5.870 1.00 41.78 O HETATM 1251 O HOH 86 8.016 18.759 -13.174 1.00 40.40 O HETATM 1252 O HOH 87 8.062 20.813 -0.507 1.00 37.40 O HETATM 1253 O HOH 88 -2.476 32.576 7.876 1.00 40.33 O HETATM 1254 O HOH 89 17.285 17.706 5.308 1.00 37.81 O HETATM 1255 O HOH 90 6.159 17.440 0.830 1.00 36.01 O HETATM 1256 O HOH 91 2.525 18.840 -3.859 1.00 44.26 O HETATM 1257 O HOH 92 10.790 41.025 5.953 1.00 41.83 O HETATM 1258 O HOH 93 9.300 16.264 4.858 1.00 36.30 O HETATM 1259 O HOH 94 6.696 18.086 -4.432 1.00 29.20 O HETATM 1260 O HOH 95 22.217 21.638 4.156 1.00 38.10 O HETATM 1261 O HOH 96 5.219 44.782 4.833 1.00 37.98 O HETATM 1262 O HOH 97 15.591 27.822 -14.668 1.00 35.29 O HETATM 1263 O HOH 98 4.607 22.920 18.048 1.00 39.08 O HETATM 1264 O HOH 99 6.314 24.922 17.324 1.00 45.06 O HETATM 1265 O HOH 100 11.767 41.338 3.637 1.00 33.29 O HETATM 1266 O HOH 101 -0.591 42.156 -12.345 1.00 72.77 O HETATM 1267 O HOH 102 6.695 40.471 -15.674 1.00 42.41 O HETATM 1268 O HOH 103 -2.518 26.513 4.562 1.00 43.08 O HETATM 1269 O HOH 104 9.422 41.970 -13.299 1.00 43.26 O HETATM 1270 O HOH 105 13.422 19.389 17.154 1.00 37.05 O HETATM 1271 O HOH 106 17.066 16.500 1.870 1.00 45.04 O HETATM 1272 O HOH 107 -4.679 39.595 0.749 1.00 42.06 O HETATM 1273 O HOH 108 -7.950 21.990 -17.740 1.00 44.28 O HETATM 1274 O HOH 109 5.336 44.100 -8.104 1.00 54.84 O HETATM 1275 O HOH 110 -6.034 21.668 0.807 1.00 35.34 O HETATM 1276 O HOH 111 16.465 24.534 -15.020 1.00 40.16 O HETATM 1277 O HOH 112 -13.241 26.705 -12.062 1.00 48.33 O HETATM 1278 O HOH 113 -5.897 39.484 -10.265 1.00 36.43 O HETATM 1279 O HOH 114 22.043 24.799 7.667 1.00 40.91 O HETATM 1280 O HOH 115 22.238 27.602 8.145 1.00 38.49 O HETATM 1281 O HOH 116 17.022 36.404 10.304 1.00 35.07 O HETATM 1282 O HOH 117 11.611 18.105 -1.991 1.00 39.95 O HETATM 1283 O HOH 118 -3.377 33.253 3.641 1.00 30.99 O HETATM 1284 O HOH 119 -4.579 32.688 1.078 1.00 45.95 O HETATM 1285 O HOH 120 20.018 31.385 10.870 1.00 43.03 O HETATM 1286 O HOH 121 20.799 31.229 7.993 1.00 41.14 O HETATM 1287 O HOH 122 14.346 37.773 13.825 1.00 43.42 O HETATM 1288 O HOH 123 10.334 32.320 18.870 1.00 39.80 O HETATM 1289 O HOH 124 -6.824 25.815 -16.661 1.00 53.42 O HETATM 1290 O HOH 125 -3.745 31.479 -19.235 1.00 36.81 O HETATM 1291 O HOH 126 -1.449 31.811 -19.657 1.00 39.26 O HETATM 1292 O HOH 127 -5.629 31.530 4.335 1.00 44.07 O HETATM 1293 O HOH 128 7.990 28.772 -21.467 1.00 50.80 O HETATM 1294 O HOH 129 -8.619 22.611 -10.240 1.00 39.80 O HETATM 1295 O HOH 130 24.909 26.303 7.726 1.00 45.98 O HETATM 1296 O HOH 131 11.092 18.590 17.004 1.00 38.35 O HETATM 1297 O HOH 132 2.332 38.097 14.182 1.00 45.08 O HETATM 1298 O HOH 133 8.669 18.011 -3.515 1.00 46.42 O HETATM 1299 O HOH 134 0.921 25.714 -19.044 1.00 41.23 O HETATM 1300 O HOH 135 2.475 34.544 11.429 1.00 49.68 O HETATM 1301 FAF UNN A 136 9.325 20.119 5.100 1.00 -0.22 F HETATM 1302 CBL UNN A 136 8.861 20.129 3.855 1.00 0.38 C HETATM 1303 FAG UNN A 136 9.451 19.155 3.191 1.00 -0.22 F HETATM 1304 FAH UNN A 136 9.182 21.247 3.249 1.00 -0.22 F HETATM 1305 CBH UNN A 136 7.381 19.950 3.814 1.00 0.05 C HETATM 1306 CAR UNN A 136 6.608 20.618 2.864 1.00 -0.01 C HETATM 1307 CBD UNN A 136 5.228 20.424 2.833 1.00 0.06 C HETATM 1308 CAM UNN A 136 4.623 19.567 3.749 1.00 -0.02 C HETATM 1309 CAK UNN A 136 5.398 18.911 4.693 1.00 -0.03 C HETATM 1310 CAO UNN A 136 6.771 19.091 4.717 1.00 -0.03 C HETATM 1311 H2 UNN A 136 7.372 18.558 5.445 1.00 0.09 H HETATM 1312 H3 UNN A 136 4.927 18.254 5.416 1.00 0.07 H HETATM 1313 H4 UNN A 136 3.550 19.413 3.724 1.00 0.09 H HETATM 1314 CAX UNN A 136 4.402 21.135 1.825 1.00 0.16 C HETATM 1315 OAB UNN A 136 4.715 22.280 1.519 1.00 -0.38 O HETATM 1316 CBA UNN A 136 3.191 20.541 1.195 1.00 0.09 C HETATM 1317 CAY UNN A 136 2.900 19.192 0.966 1.00 0.19 C HETATM 1318 OAE UNN A 136 3.604 18.045 1.306 1.00 -0.32 O HETATM 1319 H5 UNN A 136 4.462 18.069 0.898 1.00 0.25 H HETATM 1320 CAZ UNN A 136 1.715 19.176 0.254 1.00 0.27 C HETATM 1321 OAC UNN A 136 1.108 18.014 -0.192 1.00 -0.37 O HETATM 1322 NBK UNN A 136 1.300 20.429 0.063 1.00 -0.19 N HETATM 1323 CBF UNN A 136 0.181 20.768 -0.761 1.00 0.08 C HETATM 1324 CAQ UNN A 136 -1.039 20.132 -0.552 1.00 -0.03 C HETATM 1325 CBC UNN A 136 -2.133 20.436 -1.344 1.00 -0.00 C HETATM 1326 CAW UNN A 136 -3.433 19.749 -1.101 1.00 0.06 C HETATM 1327 OAD UNN A 136 -3.529 18.892 -0.182 1.00 -0.56 O HETATM 1328 OAA UNN A 136 -4.432 20.011 -1.814 1.00 -0.56 O HETATM 1329 CAL UNN A 136 -2.005 21.382 -2.349 1.00 -0.06 C HETATM 1330 CAJ UNN A 136 -0.789 22.019 -2.564 1.00 -0.07 C HETATM 1331 CAN UNN A 136 0.305 21.714 -1.773 1.00 -0.04 C HETATM 1332 H9 UNN A 136 1.254 22.210 -1.941 1.00 0.05 H HETATM 1333 H8 UNN A 136 -0.697 22.756 -3.353 1.00 0.06 H HETATM 1334 H7 UNN A 136 -2.859 21.626 -2.971 1.00 0.05 H HETATM 1335 H6 UNN A 136 -1.133 19.394 0.236 1.00 0.05 H HETATM 1336 CBJ UNN A 136 2.138 21.289 0.671 1.00 0.13 C HETATM 1337 CBE UNN A 136 1.565 22.267 1.634 1.00 -0.02 C HETATM 1338 CAS UNN A 136 0.908 21.690 2.708 1.00 -0.04 C HETATM 1339 CBG UNN A 136 0.338 22.479 3.699 1.00 0.12 C HETATM 1340 OAU UNN A 136 -0.373 22.186 4.851 1.00 -0.29 O HETATM 1341 CAT UNN A 136 -0.484 23.360 5.583 1.00 0.19 C HETATM 1342 OAV UNN A 136 -0.204 24.373 4.677 1.00 -0.29 O HETATM 1343 CBI UNN A 136 0.428 23.815 3.589 1.00 0.13 C HETATM 1344 CBB UNN A 136 1.107 24.369 2.509 1.00 0.05 C HETATM 1345 CLA UNN A 136 1.189 26.058 2.433 1.00 -0.08 CL HETATM 1346 CAP UNN A 136 1.687 23.633 1.508 1.00 -0.06 C HETATM 1347 H14 UNN A 136 2.205 24.094 0.675 1.00 0.04 H HETATM 1348 H12 UNN A 136 0.240 23.370 6.411 1.00 0.10 H HETATM 1349 H13 UNN A 136 -1.502 23.471 5.985 1.00 0.10 H HETATM 1350 H11 UNN A 136 0.838 20.610 2.776 1.00 0.05 H HETATM 1351 H10 UNN A 136 2.562 21.910 -0.132 1.00 0.09 H HETATM 1352 H1 UNN A 136 7.079 21.286 2.152 1.00 0.09 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1301 1302 CONECT 1302 1301 1303 1304 1305 CONECT 1303 1302 CONECT 1304 1302 CONECT 1305 1302 1306 1310 CONECT 1306 1305 1307 1352 CONECT 1307 1306 1308 1314 CONECT 1308 1307 1309 1313 CONECT 1309 1308 1310 1312 CONECT 1310 1305 1309 1311 CONECT 1311 1310 CONECT 1312 1309 CONECT 1313 1308 CONECT 1314 1307 1315 1316 CONECT 1315 1314 CONECT 1316 1314 1317 1336 CONECT 1317 1316 1318 1320 CONECT 1318 1317 1319 CONECT 1319 1318 CONECT 1320 1317 1321 1322 CONECT 1321 1320 CONECT 1322 1320 1323 1336 CONECT 1323 1322 1324 1331 CONECT 1324 1323 1325 1335 CONECT 1325 1324 1326 1329 CONECT 1326 1325 1327 1328 CONECT 1327 1326 CONECT 1328 1326 CONECT 1329 1325 1330 1334 CONECT 1330 1329 1331 1333 CONECT 1331 1323 1330 1332 CONECT 1332 1331 CONECT 1333 1330 CONECT 1334 1329 CONECT 1335 1324 CONECT 1336 1316 1322 1337 1351 CONECT 1337 1336 1338 1346 CONECT 1338 1337 1339 1350 CONECT 1339 1338 1340 1343 CONECT 1340 1339 1341 CONECT 1341 1340 1342 1348 1349 CONECT 1342 1341 1343 CONECT 1343 1339 1342 1344 CONECT 1344 1343 1345 1346 CONECT 1345 1344 CONECT 1346 1337 1344 1347 CONECT 1347 1346 CONECT 1348 1341 CONECT 1349 1341 CONECT 1350 1338 CONECT 1351 1336 CONECT 1352 1306 MASTER 0 0 0 0 0 0 0 0 1351 1 56 10 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
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Related entries of code: 4ibi
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3l25
RCSB PDB
PDBbind
129aa, >3L25_1|Chains... *
4ibb
RCSB PDB
PDBbind
129aa, >4IBB_1|Chains... at 100%
4ibc
RCSB PDB
PDBbind
129aa, >4IBC_1|Chains... at 100%
4ibd
RCSB PDB
PDBbind
129aa, >4IBD_1|Chains... at 100%
4ibe
RCSB PDB
PDBbind
129aa, >4IBE_1|Chains... at 100%
4ibf
RCSB PDB
PDBbind
129aa, >4IBF_1|Chains... at 100%
4ibg
RCSB PDB
PDBbind
129aa, >4IBG_1|Chains... at 100%
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
4ibi
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Polymerase cofactor Ebola virus VP35
Ligand Name
1D8
EC.Number
E.C.-.-.-.-
Resolution
1.47(Å)
Affinity (Kd/Ki/IC50)
Kd=73.0uM
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
6
H
1
5
ClF
3
NO
7
Molecular Weight
545.848
Exact Mass
545.049
No. of atoms
53
No. of bonds
57
Polar Surface Area
113.37
LOGP Value
6.48 (
Computed with XLOGP3
)
5.63 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
Canonical SMILES
O=C1N(c2cccc(c2)C(=O)O)[C@H](C(=C1O)C(=O)c1cccc(c1)C(F)(F)F)c1cc(Cl)c2c(c1)OCO2
InChI String
InChI=1S/C26H15ClF3NO7/c27-17-9-14(10-18-23(17)38-11-37-18)20-19(21(32)12-3-1-5-15(7-12)26(28,29)30)22(33)24(34)31(20)16-6-2-4-13(8-16)25(35)36/h1-10,20,33H,11H2,(H,35,36)/t20-/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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