Browse entries in the PDBbind-CN Database
HEADER 1DPU_COMPLEX COMPND 1DPU_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 69 ALA ASN GLY LEU THR VAL ALA GLN ASN GLN VAL LEU ASN SEQRES 2 A 69 LEU ILE LYS ALA CYS PRO ARG PRO GLU GLY LEU ASN PHE SEQRES 3 A 69 GLN ASP LEU LYS ASN GLN LEU LYS HIS MET SER VAL SER SEQRES 4 A 69 SER ILE LYS GLN ALA VAL ASP PHE LEU SER ASN GLU GLY SEQRES 5 A 69 HIS ILE TYR SER THR VAL ASP ASP ASP HIS PHE LYS SER SEQRES 6 A 69 THR ASP ALA GLU HET ARG A 70 278 ATOM 1 N ALA A 202 -3.095 19.709 -8.769 1.00 0.00 N ATOM 2 CA ALA A 202 -2.408 18.766 -9.642 1.00 0.00 C ATOM 3 C ALA A 202 -2.234 17.402 -8.966 1.00 0.00 C ATOM 4 O ALA A 202 -2.476 16.362 -9.578 1.00 0.00 O ATOM 5 CB ALA A 202 -1.051 19.348 -10.050 1.00 0.00 C ATOM 6 HA ALA A 202 -3.016 18.608 -10.533 1.00 0.00 H ATOM 7 HB1 ALA A 202 -1.205 20.289 -10.578 1.00 0.00 H ATOM 8 HB2 ALA A 202 -0.450 19.524 -9.158 1.00 0.00 H ATOM 9 HB3 ALA A 202 -0.536 18.643 -10.703 1.00 0.00 H ATOM 10 HN3 ALA A 202 -2.542 19.840 -7.898 1.00 0.00 H ATOM 11 HN2 ALA A 202 -4.036 19.336 -8.530 1.00 0.00 H ATOM 12 HN1 ALA A 202 -3.196 20.622 -9.258 1.00 0.00 H ATOM 13 N ASN A 203 -1.823 17.393 -7.695 1.00 0.00 N ATOM 14 CA ASN A 203 -1.654 16.162 -6.941 1.00 0.00 C ATOM 15 C ASN A 203 -3.017 15.724 -6.416 1.00 0.00 C ATOM 16 O ASN A 203 -3.258 15.735 -5.209 1.00 0.00 O ATOM 17 CB ASN A 203 -0.632 16.352 -5.812 1.00 0.00 C ATOM 18 CG ASN A 203 -0.246 15.017 -5.174 1.00 0.00 C ATOM 19 OD1 ASN A 203 0.735 14.401 -5.576 1.00 0.00 O ATOM 20 ND2 ASN A 203 -0.997 14.541 -4.186 1.00 0.00 N ATOM 21 HA ASN A 203 -1.259 15.377 -7.586 1.00 0.00 H ATOM 22 HB2 ASN A 203 0.263 16.822 -6.220 1.00 0.00 H ATOM 23 HB3 ASN A 203 -1.064 16.998 -5.048 1.00 0.00 H ATOM 24 HD22 ASN A 203 -1.826 15.077 -3.858 1.00 0.00 H ATOM 25 HD21 ASN A 203 -0.756 13.632 -3.741 1.00 0.00 H ATOM 26 H ASN A 203 -1.617 18.299 -7.228 1.00 0.00 H ATOM 27 N GLY A 204 -3.902 15.302 -7.322 1.00 0.00 N ATOM 28 CA GLY A 204 -5.213 14.759 -6.983 1.00 0.00 C ATOM 29 C GLY A 204 -5.094 13.337 -6.426 1.00 0.00 C ATOM 30 O GLY A 204 -5.789 12.428 -6.873 1.00 0.00 O ATOM 31 HA3 GLY A 204 -5.833 14.740 -7.879 1.00 0.00 H ATOM 32 HA2 GLY A 204 -5.680 15.397 -6.233 1.00 0.00 H ATOM 33 H GLY A 204 -3.642 15.364 -8.327 1.00 0.00 H ATOM 34 N LEU A 205 -4.194 13.153 -5.460 1.00 0.00 N ATOM 35 CA LEU A 205 -3.806 11.925 -4.808 1.00 0.00 C ATOM 36 C LEU A 205 -3.593 12.316 -3.344 1.00 0.00 C ATOM 37 O LEU A 205 -3.367 13.493 -3.059 1.00 0.00 O ATOM 38 CB LEU A 205 -2.479 11.439 -5.411 1.00 0.00 C ATOM 39 CG LEU A 205 -2.454 11.258 -6.940 1.00 0.00 C ATOM 40 CD1 LEU A 205 -1.027 10.936 -7.396 1.00 0.00 C ATOM 41 CD2 LEU A 205 -3.381 10.139 -7.414 1.00 0.00 C ATOM 42 HA LEU A 205 -4.544 11.131 -4.921 1.00 0.00 H ATOM 43 HB2 LEU A 205 -1.709 12.164 -5.149 1.00 0.00 H ATOM 44 HB3 LEU A 205 -2.240 10.477 -4.958 1.00 0.00 H ATOM 45 HG LEU A 205 -2.804 12.193 -7.377 1.00 0.00 H ATOM 46 HD21 LEU A 205 -3.073 9.197 -6.960 1.00 0.00 H ATOM 47 HD22 LEU A 205 -4.405 10.368 -7.120 1.00 0.00 H ATOM 48 HD23 LEU A 205 -3.323 10.056 -8.499 1.00 0.00 H ATOM 49 HD11 LEU A 205 -0.364 11.755 -7.117 1.00 0.00 H ATOM 50 HD12 LEU A 205 -0.692 10.016 -6.916 1.00 0.00 H ATOM 51 HD13 LEU A 205 -1.013 10.809 -8.478 1.00 0.00 H ATOM 52 H LEU A 205 -3.705 14.010 -5.132 1.00 0.00 H ATOM 53 N THR A 206 -3.660 11.366 -2.412 1.00 0.00 N ATOM 54 CA THR A 206 -3.382 11.633 -1.008 1.00 0.00 C ATOM 55 C THR A 206 -1.967 11.154 -0.687 1.00 0.00 C ATOM 56 O THR A 206 -1.528 10.138 -1.217 1.00 0.00 O ATOM 57 CB THR A 206 -4.436 10.944 -0.132 1.00 0.00 C ATOM 58 OG1 THR A 206 -4.511 9.570 -0.449 1.00 0.00 O ATOM 59 CG2 THR A 206 -5.818 11.568 -0.350 1.00 0.00 C ATOM 60 HA THR A 206 -3.436 12.702 -0.801 1.00 0.00 H ATOM 61 HB THR A 206 -4.138 11.073 0.909 1.00 0.00 H ATOM 62 HG1 THR A 206 -3.630 9.147 -0.290 1.00 0.00 H ATOM 63 HG23 THR A 206 -5.778 12.630 -0.109 1.00 0.00 H ATOM 64 HG21 THR A 206 -6.112 11.441 -1.392 1.00 0.00 H ATOM 65 HG22 THR A 206 -6.544 11.075 0.297 1.00 0.00 H ATOM 66 H THR A 206 -3.920 10.400 -2.697 1.00 0.00 H ATOM 67 N VAL A 207 -1.262 11.872 0.193 1.00 0.00 N ATOM 68 CA VAL A 207 0.133 11.626 0.562 1.00 0.00 C ATOM 69 C VAL A 207 0.432 10.139 0.820 1.00 0.00 C ATOM 70 O VAL A 207 1.492 9.640 0.443 1.00 0.00 O ATOM 71 CB VAL A 207 0.537 12.515 1.758 1.00 0.00 C ATOM 72 CG1 VAL A 207 2.060 12.505 1.952 1.00 0.00 C ATOM 73 CG2 VAL A 207 0.114 13.981 1.567 1.00 0.00 C ATOM 74 HA VAL A 207 0.749 11.902 -0.294 1.00 0.00 H ATOM 75 HB VAL A 207 0.026 12.098 2.626 1.00 0.00 H ATOM 76 HG11 VAL A 207 2.394 11.485 2.142 1.00 0.00 H ATOM 77 HG12 VAL A 207 2.542 12.885 1.051 1.00 0.00 H ATOM 78 HG13 VAL A 207 2.321 13.138 2.800 1.00 0.00 H ATOM 79 HG21 VAL A 207 0.591 14.382 0.672 1.00 0.00 H ATOM 80 HG22 VAL A 207 -0.969 14.034 1.458 1.00 0.00 H ATOM 81 HG23 VAL A 207 0.422 14.563 2.436 1.00 0.00 H ATOM 82 H VAL A 207 -1.744 12.671 0.653 1.00 0.00 H ATOM 83 N ALA A 208 -0.478 9.408 1.468 1.00 0.00 N ATOM 84 CA ALA A 208 -0.320 7.971 1.679 1.00 0.00 C ATOM 85 C ALA A 208 -0.340 7.204 0.353 1.00 0.00 C ATOM 86 O ALA A 208 0.491 6.328 0.130 1.00 0.00 O ATOM 87 CB ALA A 208 -1.417 7.468 2.619 1.00 0.00 C ATOM 88 HA ALA A 208 0.652 7.792 2.138 1.00 0.00 H ATOM 89 HB1 ALA A 208 -1.340 7.986 3.575 1.00 0.00 H ATOM 90 HB2 ALA A 208 -2.393 7.665 2.175 1.00 0.00 H ATOM 91 HB3 ALA A 208 -1.297 6.396 2.775 1.00 0.00 H ATOM 92 H ALA A 208 -1.330 9.878 1.836 1.00 0.00 H ATOM 93 N GLN A 209 -1.279 7.519 -0.540 1.00 0.00 N ATOM 94 CA GLN A 209 -1.380 6.849 -1.828 1.00 0.00 C ATOM 95 C GLN A 209 -0.186 7.228 -2.709 1.00 0.00 C ATOM 96 O GLN A 209 0.401 6.360 -3.351 1.00 0.00 O ATOM 97 CB GLN A 209 -2.731 7.159 -2.480 1.00 0.00 C ATOM 98 CG GLN A 209 -3.871 6.583 -1.624 1.00 0.00 C ATOM 99 CD GLN A 209 -5.228 6.778 -2.287 1.00 0.00 C ATOM 100 OE1 GLN A 209 -5.865 5.815 -2.694 1.00 0.00 O ATOM 101 NE2 GLN A 209 -5.684 8.019 -2.403 1.00 0.00 N ATOM 102 HA GLN A 209 -1.341 5.768 -1.690 1.00 0.00 H ATOM 103 HB2 GLN A 209 -2.852 8.239 -2.564 1.00 0.00 H ATOM 104 HB3 GLN A 209 -2.764 6.712 -3.474 1.00 0.00 H ATOM 105 HG2 GLN A 209 -3.699 5.517 -1.478 1.00 0.00 H ATOM 106 HG3 GLN A 209 -3.875 7.085 -0.657 1.00 0.00 H ATOM 107 HE22 GLN A 209 -5.119 8.816 -2.047 1.00 0.00 H ATOM 108 HE21 GLN A 209 -6.607 8.194 -2.850 1.00 0.00 H ATOM 109 H GLN A 209 -1.962 8.268 -0.308 1.00 0.00 H ATOM 110 N ASN A 210 0.205 8.509 -2.697 1.00 0.00 N ATOM 111 CA ASN A 210 1.445 8.977 -3.311 1.00 0.00 C ATOM 112 C ASN A 210 2.604 8.107 -2.832 1.00 0.00 C ATOM 113 O ASN A 210 3.348 7.568 -3.644 1.00 0.00 O ATOM 114 CB ASN A 210 1.744 10.436 -2.937 1.00 0.00 C ATOM 115 CG ASN A 210 0.922 11.470 -3.697 1.00 0.00 C ATOM 116 OD1 ASN A 210 -0.021 12.051 -3.163 1.00 0.00 O ATOM 117 ND2 ASN A 210 1.315 11.760 -4.931 1.00 0.00 N ATOM 118 HA ASN A 210 1.329 8.911 -4.393 1.00 0.00 H ATOM 119 HB2 ASN A 210 1.547 10.561 -1.872 1.00 0.00 H ATOM 120 HB3 ASN A 210 2.799 10.628 -3.135 1.00 0.00 H ATOM 121 HD22 ASN A 210 2.116 11.250 -5.355 1.00 0.00 H ATOM 122 HD21 ASN A 210 0.822 12.497 -5.474 1.00 0.00 H ATOM 123 H ASN A 210 -0.406 9.207 -2.226 1.00 0.00 H ATOM 124 N GLN A 211 2.769 7.979 -1.513 1.00 0.00 N ATOM 125 CA GLN A 211 3.792 7.140 -0.903 1.00 0.00 C ATOM 126 C GLN A 211 3.713 5.698 -1.409 1.00 0.00 C ATOM 127 O GLN A 211 4.707 5.184 -1.914 1.00 0.00 O ATOM 128 CB GLN A 211 3.652 7.223 0.621 1.00 0.00 C ATOM 129 CG GLN A 211 4.496 8.371 1.184 1.00 0.00 C ATOM 130 CD GLN A 211 4.150 8.612 2.645 1.00 0.00 C ATOM 131 OE1 GLN A 211 4.961 8.398 3.539 1.00 0.00 O ATOM 132 NE2 GLN A 211 2.921 9.047 2.889 1.00 0.00 N ATOM 133 HA GLN A 211 4.779 7.505 -1.189 1.00 0.00 H ATOM 134 HB2 GLN A 211 2.605 7.391 0.875 1.00 0.00 H ATOM 135 HB3 GLN A 211 3.986 6.284 1.062 1.00 0.00 H ATOM 136 HG2 GLN A 211 5.552 8.115 1.102 1.00 0.00 H ATOM 137 HG3 GLN A 211 4.297 9.278 0.613 1.00 0.00 H ATOM 138 HE22 GLN A 211 2.263 9.216 2.101 1.00 0.00 H ATOM 139 HE21 GLN A 211 2.615 9.219 3.868 1.00 0.00 H ATOM 140 H GLN A 211 2.131 8.508 -0.885 1.00 0.00 H ATOM 141 N VAL A 212 2.558 5.037 -1.292 1.00 0.00 N ATOM 142 CA VAL A 212 2.398 3.665 -1.778 1.00 0.00 C ATOM 143 C VAL A 212 2.850 3.562 -3.242 1.00 0.00 C ATOM 144 O VAL A 212 3.684 2.722 -3.582 1.00 0.00 O ATOM 145 CB VAL A 212 0.948 3.182 -1.579 1.00 0.00 C ATOM 146 CG1 VAL A 212 0.731 1.814 -2.240 1.00 0.00 C ATOM 147 CG2 VAL A 212 0.607 3.032 -0.090 1.00 0.00 C ATOM 148 HA VAL A 212 3.037 3.003 -1.193 1.00 0.00 H ATOM 149 HB VAL A 212 0.305 3.934 -2.036 1.00 0.00 H ATOM 150 HG11 VAL A 212 0.931 1.892 -3.309 1.00 0.00 H ATOM 151 HG12 VAL A 212 1.408 1.085 -1.795 1.00 0.00 H ATOM 152 HG13 VAL A 212 -0.300 1.496 -2.085 1.00 0.00 H ATOM 153 HG21 VAL A 212 1.280 2.305 0.364 1.00 0.00 H ATOM 154 HG22 VAL A 212 0.723 3.995 0.407 1.00 0.00 H ATOM 155 HG23 VAL A 212 -0.423 2.690 0.013 1.00 0.00 H ATOM 156 H VAL A 212 1.749 5.511 -0.843 1.00 0.00 H ATOM 157 N LEU A 213 2.318 4.432 -4.104 1.00 0.00 N ATOM 158 CA LEU A 213 2.693 4.495 -5.510 1.00 0.00 C ATOM 159 C LEU A 213 4.211 4.637 -5.659 1.00 0.00 C ATOM 160 O LEU A 213 4.836 3.895 -6.414 1.00 0.00 O ATOM 161 CB LEU A 213 1.943 5.654 -6.180 1.00 0.00 C ATOM 162 CG LEU A 213 2.338 5.886 -7.646 1.00 0.00 C ATOM 163 CD1 LEU A 213 2.052 4.662 -8.518 1.00 0.00 C ATOM 164 CD2 LEU A 213 1.569 7.098 -8.177 1.00 0.00 C ATOM 165 HA LEU A 213 2.411 3.567 -6.007 1.00 0.00 H ATOM 166 HB2 LEU A 213 0.875 5.440 -6.142 1.00 0.00 H ATOM 167 HB3 LEU A 213 2.150 6.566 -5.620 1.00 0.00 H ATOM 168 HG LEU A 213 3.412 6.067 -7.689 1.00 0.00 H ATOM 169 HD21 LEU A 213 0.498 6.906 -8.108 1.00 0.00 H ATOM 170 HD22 LEU A 213 1.821 7.976 -7.582 1.00 0.00 H ATOM 171 HD23 LEU A 213 1.842 7.272 -9.218 1.00 0.00 H ATOM 172 HD11 LEU A 213 2.619 3.810 -8.143 1.00 0.00 H ATOM 173 HD12 LEU A 213 0.987 4.434 -8.484 1.00 0.00 H ATOM 174 HD13 LEU A 213 2.347 4.873 -9.546 1.00 0.00 H ATOM 175 H LEU A 213 1.600 5.098 -3.754 1.00 0.00 H ATOM 176 N ASN A 214 4.804 5.582 -4.927 1.00 0.00 N ATOM 177 CA ASN A 214 6.240 5.823 -4.928 1.00 0.00 C ATOM 178 C ASN A 214 6.998 4.548 -4.571 1.00 0.00 C ATOM 179 O ASN A 214 7.914 4.165 -5.291 1.00 0.00 O ATOM 180 CB ASN A 214 6.606 6.987 -3.992 1.00 0.00 C ATOM 181 CG ASN A 214 6.605 8.328 -4.721 1.00 0.00 C ATOM 182 OD1 ASN A 214 7.651 8.823 -5.125 1.00 0.00 O ATOM 183 ND2 ASN A 214 5.436 8.937 -4.890 1.00 0.00 N ATOM 184 HA ASN A 214 6.540 6.115 -5.935 1.00 0.00 H ATOM 185 HB2 ASN A 214 5.881 7.027 -3.179 1.00 0.00 H ATOM 186 HB3 ASN A 214 7.600 6.810 -3.582 1.00 0.00 H ATOM 187 HD22 ASN A 214 4.563 8.495 -4.537 1.00 0.00 H ATOM 188 HD21 ASN A 214 5.394 9.856 -5.375 1.00 0.00 H ATOM 189 H ASN A 214 4.207 6.180 -4.321 1.00 0.00 H ATOM 190 N LEU A 215 6.617 3.866 -3.489 1.00 0.00 N ATOM 191 CA LEU A 215 7.206 2.579 -3.143 1.00 0.00 C ATOM 192 C LEU A 215 7.082 1.604 -4.318 1.00 0.00 C ATOM 193 O LEU A 215 8.090 1.053 -4.759 1.00 0.00 O ATOM 194 CB LEU A 215 6.581 2.006 -1.858 1.00 0.00 C ATOM 195 CG LEU A 215 7.292 2.386 -0.548 1.00 0.00 C ATOM 196 CD1 LEU A 215 8.658 1.699 -0.434 1.00 0.00 C ATOM 197 CD2 LEU A 215 7.436 3.898 -0.344 1.00 0.00 C ATOM 198 HA LEU A 215 8.267 2.728 -2.941 1.00 0.00 H ATOM 199 HB2 LEU A 215 5.552 2.362 -1.797 1.00 0.00 H ATOM 200 HB3 LEU A 215 6.584 0.919 -1.939 1.00 0.00 H ATOM 201 HG LEU A 215 6.644 2.025 0.251 1.00 0.00 H ATOM 202 HD21 LEU A 215 8.016 4.320 -1.164 1.00 0.00 H ATOM 203 HD22 LEU A 215 6.447 4.356 -0.323 1.00 0.00 H ATOM 204 HD23 LEU A 215 7.946 4.089 0.600 1.00 0.00 H ATOM 205 HD11 LEU A 215 8.522 0.618 -0.454 1.00 0.00 H ATOM 206 HD12 LEU A 215 9.287 2.003 -1.271 1.00 0.00 H ATOM 207 HD13 LEU A 215 9.132 1.990 0.503 1.00 0.00 H ATOM 208 H LEU A 215 5.878 4.265 -2.875 1.00 0.00 H ATOM 209 N ILE A 216 5.865 1.400 -4.836 1.00 0.00 N ATOM 210 CA ILE A 216 5.631 0.469 -5.941 1.00 0.00 C ATOM 211 C ILE A 216 6.546 0.785 -7.131 1.00 0.00 C ATOM 212 O ILE A 216 7.134 -0.124 -7.713 1.00 0.00 O ATOM 213 CB ILE A 216 4.138 0.444 -6.338 1.00 0.00 C ATOM 214 CG1 ILE A 216 3.295 -0.166 -5.202 1.00 0.00 C ATOM 215 CG2 ILE A 216 3.920 -0.365 -7.629 1.00 0.00 C ATOM 216 CD1 ILE A 216 1.794 0.064 -5.396 1.00 0.00 C ATOM 217 HA ILE A 216 5.886 -0.535 -5.603 1.00 0.00 H ATOM 218 HB ILE A 216 3.823 1.472 -6.515 1.00 0.00 H ATOM 219 HG12 ILE A 216 3.482 -1.239 -5.165 1.00 0.00 H ATOM 220 HG13 ILE A 216 3.599 0.287 -4.259 1.00 0.00 H ATOM 221 HD11 ILE A 216 1.593 1.135 -5.426 1.00 0.00 H ATOM 222 HD12 ILE A 216 1.476 -0.393 -6.333 1.00 0.00 H ATOM 223 HD13 ILE A 216 1.249 -0.387 -4.567 1.00 0.00 H ATOM 224 HG21 ILE A 216 4.489 0.088 -8.441 1.00 0.00 H ATOM 225 HG22 ILE A 216 4.257 -1.390 -7.475 1.00 0.00 H ATOM 226 HG23 ILE A 216 2.860 -0.364 -7.882 1.00 0.00 H ATOM 227 H ILE A 216 5.057 1.921 -4.439 1.00 0.00 H ATOM 228 N LYS A 217 6.645 2.059 -7.518 1.00 0.00 N ATOM 229 CA LYS A 217 7.406 2.459 -8.693 1.00 0.00 C ATOM 230 C LYS A 217 8.914 2.391 -8.440 1.00 0.00 C ATOM 231 O LYS A 217 9.673 2.007 -9.327 1.00 0.00 O ATOM 232 CB LYS A 217 6.889 3.812 -9.221 1.00 0.00 C ATOM 233 CG LYS A 217 7.584 5.080 -8.713 1.00 0.00 C ATOM 234 CD LYS A 217 8.857 5.460 -9.486 1.00 0.00 C ATOM 235 CE LYS A 217 8.594 5.751 -10.970 1.00 0.00 C ATOM 236 NZ LYS A 217 9.719 6.480 -11.579 1.00 0.00 N ATOM 237 HA LYS A 217 7.243 1.744 -9.499 1.00 0.00 H ATOM 238 HB2 LYS A 217 6.986 3.798 -10.307 1.00 0.00 H ATOM 239 HB3 LYS A 217 5.835 3.887 -8.953 1.00 0.00 H ATOM 240 HG2 LYS A 217 6.879 5.908 -8.788 1.00 0.00 H ATOM 241 HG3 LYS A 217 7.853 4.926 -7.668 1.00 0.00 H ATOM 242 HD2 LYS A 217 9.289 6.350 -9.028 1.00 0.00 H ATOM 243 HD3 LYS A 217 9.566 4.636 -9.414 1.00 0.00 H ATOM 244 HE2 LYS A 217 7.690 6.353 -11.059 1.00 0.00 H ATOM 245 HE3 LYS A 217 8.454 4.808 -11.498 1.00 0.00 H ATOM 246 HZ1 LYS A 217 9.854 7.384 -11.083 1.00 0.00 H ATOM 247 HZ2 LYS A 217 10.584 5.908 -11.501 1.00 0.00 H ATOM 248 HZ3 LYS A 217 9.511 6.662 -12.582 1.00 0.00 H ATOM 249 H LYS A 217 6.161 2.792 -6.960 1.00 0.00 H ATOM 250 N ALA A 218 9.358 2.801 -7.248 1.00 0.00 N ATOM 251 CA ALA A 218 10.768 2.994 -6.944 1.00 0.00 C ATOM 252 C ALA A 218 11.457 1.708 -6.492 1.00 0.00 C ATOM 253 O ALA A 218 12.650 1.546 -6.738 1.00 0.00 O ATOM 254 CB ALA A 218 10.921 4.078 -5.874 1.00 0.00 C ATOM 255 HA ALA A 218 11.258 3.307 -7.866 1.00 0.00 H ATOM 256 HB1 ALA A 218 10.499 5.013 -6.243 1.00 0.00 H ATOM 257 HB2 ALA A 218 10.394 3.772 -4.970 1.00 0.00 H ATOM 258 HB3 ALA A 218 11.978 4.219 -5.650 1.00 0.00 H ATOM 259 H ALA A 218 8.661 2.992 -6.500 1.00 0.00 H ATOM 260 N CYS A 219 10.750 0.829 -5.772 1.00 0.00 N ATOM 261 CA CYS A 219 11.378 -0.318 -5.123 1.00 0.00 C ATOM 262 C CYS A 219 12.159 -1.183 -6.129 1.00 0.00 C ATOM 263 O CYS A 219 11.553 -1.713 -7.061 1.00 0.00 O ATOM 264 CB CYS A 219 10.330 -1.166 -4.404 1.00 0.00 C ATOM 265 SG CYS A 219 11.223 -2.487 -3.560 1.00 0.00 S ATOM 266 HA CYS A 219 12.088 0.068 -4.391 1.00 0.00 H ATOM 267 HB2 CYS A 219 9.628 -1.587 -5.124 1.00 0.00 H ATOM 268 HB3 CYS A 219 9.786 -0.558 -3.681 1.00 0.00 H ATOM 269 HG CYS A 219 10.325 -3.291 -2.889 1.00 0.00 H ATOM 270 H CYS A 219 9.724 0.967 -5.672 1.00 0.00 H ATOM 271 N PRO A 220 13.490 -1.327 -5.989 1.00 0.00 N ATOM 272 CA PRO A 220 14.324 -1.973 -6.992 1.00 0.00 C ATOM 273 C PRO A 220 14.215 -3.500 -6.897 1.00 0.00 C ATOM 274 O PRO A 220 15.177 -4.182 -6.550 1.00 0.00 O ATOM 275 CB PRO A 220 15.740 -1.452 -6.719 1.00 0.00 C ATOM 276 CG PRO A 220 15.738 -1.254 -5.204 1.00 0.00 C ATOM 277 CD PRO A 220 14.318 -0.753 -4.938 1.00 0.00 C ATOM 278 HA PRO A 220 14.017 -1.740 -8.012 1.00 0.00 H ATOM 279 HD3 PRO A 220 13.975 -1.087 -3.959 1.00 0.00 H ATOM 280 HD2 PRO A 220 14.285 0.336 -4.981 1.00 0.00 H ATOM 281 HG3 PRO A 220 16.480 -0.515 -4.902 1.00 0.00 H ATOM 282 HG2 PRO A 220 15.929 -2.192 -4.683 1.00 0.00 H ATOM 283 HB2 PRO A 220 16.492 -2.181 -7.020 1.00 0.00 H ATOM 284 HB3 PRO A 220 15.920 -0.511 -7.239 1.00 0.00 H ATOM 285 N ARG A 221 13.040 -4.039 -7.226 1.00 0.00 N ATOM 286 CA ARG A 221 12.772 -5.467 -7.322 1.00 0.00 C ATOM 287 C ARG A 221 12.212 -5.736 -8.722 1.00 0.00 C ATOM 288 O ARG A 221 11.276 -5.046 -9.124 1.00 0.00 O ATOM 289 CB ARG A 221 11.727 -5.863 -6.275 1.00 0.00 C ATOM 290 CG ARG A 221 12.242 -5.753 -4.836 1.00 0.00 C ATOM 291 CD ARG A 221 11.098 -5.911 -3.824 1.00 0.00 C ATOM 292 NE ARG A 221 10.576 -7.284 -3.765 1.00 0.00 N ATOM 293 CZ ARG A 221 9.498 -7.750 -4.412 1.00 0.00 C ATOM 294 NH1 ARG A 221 8.844 -7.014 -5.314 1.00 0.00 N ATOM 295 NH2 ARG A 221 9.053 -8.980 -4.151 1.00 0.00 N ATOM 296 HA ARG A 221 13.682 -6.042 -7.149 1.00 0.00 H ATOM 297 HB2 ARG A 221 10.862 -5.209 -6.384 1.00 0.00 H ATOM 298 HB3 ARG A 221 11.427 -6.895 -6.458 1.00 0.00 H ATOM 299 HG2 ARG A 221 12.982 -6.534 -4.662 1.00 0.00 H ATOM 300 HG3 ARG A 221 12.707 -4.777 -4.698 1.00 0.00 H ATOM 301 HD2 ARG A 221 10.286 -5.241 -4.108 1.00 0.00 H ATOM 302 HD3 ARG A 221 11.466 -5.635 -2.836 1.00 0.00 H ATOM 303 HE ARG A 221 11.092 -7.958 -3.164 1.00 0.00 H ATOM 304 HH12 ARG A 221 8.011 -7.405 -5.799 1.00 0.00 H ATOM 305 HH11 ARG A 221 9.168 -6.050 -5.532 1.00 0.00 H ATOM 306 HH22 ARG A 221 8.217 -9.347 -4.649 1.00 0.00 H ATOM 307 HH21 ARG A 221 9.542 -9.572 -3.449 1.00 0.00 H ATOM 308 H ARG A 221 12.254 -3.389 -7.430 1.00 0.00 H ATOM 309 N PRO A 222 12.730 -6.726 -9.471 1.00 0.00 N ATOM 310 CA PRO A 222 12.118 -7.160 -10.719 1.00 0.00 C ATOM 311 C PRO A 222 10.628 -7.456 -10.522 1.00 0.00 C ATOM 312 O PRO A 222 9.790 -6.997 -11.298 1.00 0.00 O ATOM 313 CB PRO A 222 12.903 -8.399 -11.164 1.00 0.00 C ATOM 314 CG PRO A 222 14.266 -8.207 -10.501 1.00 0.00 C ATOM 315 CD PRO A 222 13.920 -7.510 -9.185 1.00 0.00 C ATOM 316 HA PRO A 222 12.162 -6.385 -11.485 1.00 0.00 H ATOM 317 HD3 PRO A 222 13.716 -8.244 -8.405 1.00 0.00 H ATOM 318 HD2 PRO A 222 14.738 -6.863 -8.868 1.00 0.00 H ATOM 319 HG3 PRO A 222 14.915 -7.583 -11.115 1.00 0.00 H ATOM 320 HG2 PRO A 222 14.751 -9.166 -10.320 1.00 0.00 H ATOM 321 HB2 PRO A 222 12.423 -9.313 -10.814 1.00 0.00 H ATOM 322 HB3 PRO A 222 12.997 -8.433 -12.249 1.00 0.00 H ATOM 323 N GLU A 223 10.297 -8.175 -9.442 1.00 0.00 N ATOM 324 CA GLU A 223 8.936 -8.536 -9.065 1.00 0.00 C ATOM 325 C GLU A 223 8.146 -7.342 -8.505 1.00 0.00 C ATOM 326 O GLU A 223 7.408 -7.491 -7.530 1.00 0.00 O ATOM 327 CB GLU A 223 8.972 -9.695 -8.048 1.00 0.00 C ATOM 328 CG GLU A 223 9.316 -11.044 -8.691 1.00 0.00 C ATOM 329 CD GLU A 223 10.741 -11.110 -9.234 1.00 0.00 C ATOM 330 OE1 GLU A 223 11.634 -10.540 -8.568 1.00 0.00 O ATOM 331 OE2 GLU A 223 10.912 -11.716 -10.314 1.00 0.00 O ATOM 332 HA GLU A 223 8.414 -8.857 -9.966 1.00 0.00 H ATOM 333 HB2 GLU A 223 9.722 -9.470 -7.290 1.00 0.00 H ATOM 334 HB3 GLU A 223 7.993 -9.774 -7.576 1.00 0.00 H ATOM 335 HG2 GLU A 223 9.195 -11.826 -7.941 1.00 0.00 H ATOM 336 HG3 GLU A 223 8.624 -11.222 -9.514 1.00 0.00 H ATOM 337 H GLU A 223 11.069 -8.500 -8.826 1.00 0.00 H ATOM 338 N GLY A 224 8.250 -6.168 -9.132 1.00 0.00 N ATOM 339 CA GLY A 224 7.452 -5.007 -8.773 1.00 0.00 C ATOM 340 C GLY A 224 7.485 -4.745 -7.274 1.00 0.00 C ATOM 341 O GLY A 224 8.551 -4.676 -6.665 1.00 0.00 O ATOM 342 HA3 GLY A 224 6.420 -5.178 -9.080 1.00 0.00 H ATOM 343 HA2 GLY A 224 7.844 -4.133 -9.294 1.00 0.00 H ATOM 344 H GLY A 224 8.932 -6.080 -9.912 1.00 0.00 H ATOM 345 N LEU A 225 6.302 -4.651 -6.671 1.00 0.00 N ATOM 346 CA LEU A 225 6.173 -4.640 -5.228 1.00 0.00 C ATOM 347 C LEU A 225 4.906 -5.413 -4.896 1.00 0.00 C ATOM 348 O LEU A 225 3.804 -4.866 -4.938 1.00 0.00 O ATOM 349 CB LEU A 225 6.188 -3.206 -4.691 1.00 0.00 C ATOM 350 CG LEU A 225 6.255 -3.142 -3.158 1.00 0.00 C ATOM 351 CD1 LEU A 225 7.598 -3.646 -2.623 1.00 0.00 C ATOM 352 CD2 LEU A 225 6.087 -1.687 -2.720 1.00 0.00 C ATOM 353 HA LEU A 225 7.017 -5.124 -4.737 1.00 0.00 H ATOM 354 HB2 LEU A 225 7.057 -2.691 -5.099 1.00 0.00 H ATOM 355 HB3 LEU A 225 5.280 -2.701 -5.021 1.00 0.00 H ATOM 356 HG LEU A 225 5.463 -3.778 -2.762 1.00 0.00 H ATOM 357 HD21 LEU A 225 6.886 -1.084 -3.151 1.00 0.00 H ATOM 358 HD22 LEU A 225 5.123 -1.314 -3.065 1.00 0.00 H ATOM 359 HD23 LEU A 225 6.133 -1.629 -1.633 1.00 0.00 H ATOM 360 HD11 LEU A 225 7.744 -4.682 -2.928 1.00 0.00 H ATOM 361 HD12 LEU A 225 8.402 -3.031 -3.026 1.00 0.00 H ATOM 362 HD13 LEU A 225 7.601 -3.583 -1.535 1.00 0.00 H ATOM 363 H LEU A 225 5.443 -4.583 -7.254 1.00 0.00 H ATOM 364 N ASN A 226 5.055 -6.715 -4.629 1.00 0.00 N ATOM 365 CA ASN A 226 3.916 -7.569 -4.339 1.00 0.00 C ATOM 366 C ASN A 226 3.179 -7.001 -3.125 1.00 0.00 C ATOM 367 O ASN A 226 3.838 -6.518 -2.207 1.00 0.00 O ATOM 368 CB ASN A 226 4.314 -9.018 -4.007 1.00 0.00 C ATOM 369 CG ASN A 226 5.429 -9.621 -4.860 1.00 0.00 C ATOM 370 OD1 ASN A 226 6.474 -9.010 -5.063 1.00 0.00 O ATOM 371 ND2 ASN A 226 5.245 -10.851 -5.330 1.00 0.00 N ATOM 372 HA ASN A 226 3.296 -7.588 -5.235 1.00 0.00 H ATOM 373 HB2 ASN A 226 4.639 -9.044 -2.967 1.00 0.00 H ATOM 374 HB3 ASN A 226 3.429 -9.642 -4.126 1.00 0.00 H ATOM 375 HD22 ASN A 226 4.351 -11.350 -5.146 1.00 0.00 H ATOM 376 HD21 ASN A 226 5.995 -11.314 -5.882 1.00 0.00 H ATOM 377 H ASN A 226 6.010 -7.126 -4.629 1.00 0.00 H ATOM 378 N PHE A 227 1.850 -7.119 -3.068 1.00 0.00 N ATOM 379 CA PHE A 227 1.021 -6.707 -1.935 1.00 0.00 C ATOM 380 C PHE A 227 1.677 -7.098 -0.602 1.00 0.00 C ATOM 381 O PHE A 227 1.760 -6.292 0.320 1.00 0.00 O ATOM 382 CB PHE A 227 -0.380 -7.325 -2.101 1.00 0.00 C ATOM 383 CG PHE A 227 -1.556 -6.645 -1.408 1.00 0.00 C ATOM 384 CD1 PHE A 227 -1.494 -6.236 -0.060 1.00 0.00 C ATOM 385 CD2 PHE A 227 -2.768 -6.489 -2.113 1.00 0.00 C ATOM 386 CE1 PHE A 227 -2.591 -5.592 0.537 1.00 0.00 C ATOM 387 CE2 PHE A 227 -3.868 -5.856 -1.511 1.00 0.00 C ATOM 388 CZ PHE A 227 -3.780 -5.403 -0.186 1.00 0.00 C ATOM 389 HA PHE A 227 0.924 -5.621 -1.918 1.00 0.00 H ATOM 390 HB2 PHE A 227 -0.601 -7.344 -3.168 1.00 0.00 H ATOM 391 HB3 PHE A 227 -0.329 -8.346 -1.724 1.00 0.00 H ATOM 392 HD2 PHE A 227 -2.852 -6.863 -3.133 1.00 0.00 H ATOM 393 HE2 PHE A 227 -4.791 -5.717 -2.074 1.00 0.00 H ATOM 394 HZ PHE A 227 -4.631 -4.906 0.280 1.00 0.00 H ATOM 395 HE1 PHE A 227 -2.519 -5.238 1.565 1.00 0.00 H ATOM 396 HD1 PHE A 227 -0.591 -6.420 0.522 1.00 0.00 H ATOM 397 H PHE A 227 1.368 -7.535 -3.891 1.00 0.00 H ATOM 398 N GLN A 228 2.175 -8.333 -0.486 1.00 0.00 N ATOM 399 CA GLN A 228 2.782 -8.775 0.761 1.00 0.00 C ATOM 400 C GLN A 228 4.074 -8.000 1.076 1.00 0.00 C ATOM 401 O GLN A 228 4.314 -7.645 2.228 1.00 0.00 O ATOM 402 CB GLN A 228 2.924 -10.308 0.782 1.00 0.00 C ATOM 403 CG GLN A 228 4.196 -10.868 0.125 1.00 0.00 C ATOM 404 CD GLN A 228 5.408 -10.837 1.058 1.00 0.00 C ATOM 405 OE1 GLN A 228 5.282 -11.043 2.260 1.00 0.00 O ATOM 406 NE2 GLN A 228 6.594 -10.570 0.525 1.00 0.00 N ATOM 407 HA GLN A 228 2.115 -8.531 1.588 1.00 0.00 H ATOM 408 HB2 GLN A 228 2.914 -10.631 1.823 1.00 0.00 H ATOM 409 HB3 GLN A 228 2.064 -10.732 0.263 1.00 0.00 H ATOM 410 HG2 GLN A 228 4.010 -11.901 -0.171 1.00 0.00 H ATOM 411 HG3 GLN A 228 4.422 -10.273 -0.760 1.00 0.00 H ATOM 412 HE22 GLN A 228 6.678 -10.398 -0.497 1.00 0.00 H ATOM 413 HE21 GLN A 228 7.439 -10.532 1.130 1.00 0.00 H ATOM 414 H GLN A 228 2.128 -8.985 -1.295 1.00 0.00 H ATOM 415 N ASP A 229 4.906 -7.713 0.069 1.00 0.00 N ATOM 416 CA ASP A 229 6.122 -6.926 0.264 1.00 0.00 C ATOM 417 C ASP A 229 5.721 -5.512 0.674 1.00 0.00 C ATOM 418 O ASP A 229 6.215 -4.971 1.659 1.00 0.00 O ATOM 419 CB ASP A 229 6.973 -6.884 -1.016 1.00 0.00 C ATOM 420 CG ASP A 229 7.615 -8.229 -1.333 1.00 0.00 C ATOM 421 OD1 ASP A 229 6.877 -9.115 -1.818 1.00 0.00 O ATOM 422 OD2 ASP A 229 8.826 -8.366 -1.060 1.00 0.00 O ATOM 423 HA ASP A 229 6.727 -7.390 1.043 1.00 0.00 H ATOM 424 HB2 ASP A 229 6.335 -6.595 -1.851 1.00 0.00 H ATOM 425 HB3 ASP A 229 7.761 -6.142 -0.888 1.00 0.00 H ATOM 426 H ASP A 229 4.680 -8.061 -0.885 1.00 0.00 H ATOM 427 N LEU A 230 4.794 -4.938 -0.092 1.00 0.00 N ATOM 428 CA LEU A 230 4.183 -3.642 0.133 1.00 0.00 C ATOM 429 C LEU A 230 3.762 -3.514 1.601 1.00 0.00 C ATOM 430 O LEU A 230 4.236 -2.618 2.299 1.00 0.00 O ATOM 431 CB LEU A 230 3.024 -3.502 -0.870 1.00 0.00 C ATOM 432 CG LEU A 230 2.520 -2.081 -1.125 1.00 0.00 C ATOM 433 CD1 LEU A 230 1.543 -2.135 -2.305 1.00 0.00 C ATOM 434 CD2 LEU A 230 1.775 -1.539 0.090 1.00 0.00 C ATOM 435 HA LEU A 230 4.877 -2.819 -0.040 1.00 0.00 H ATOM 436 HB2 LEU A 230 3.357 -3.913 -1.823 1.00 0.00 H ATOM 437 HB3 LEU A 230 2.186 -4.090 -0.495 1.00 0.00 H ATOM 438 HG LEU A 230 3.370 -1.431 -1.332 1.00 0.00 H ATOM 439 HD21 LEU A 230 0.920 -2.180 0.306 1.00 0.00 H ATOM 440 HD22 LEU A 230 2.446 -1.524 0.949 1.00 0.00 H ATOM 441 HD23 LEU A 230 1.428 -0.527 -0.120 1.00 0.00 H ATOM 442 HD11 LEU A 230 2.059 -2.517 -3.185 1.00 0.00 H ATOM 443 HD12 LEU A 230 0.711 -2.793 -2.056 1.00 0.00 H ATOM 444 HD13 LEU A 230 1.167 -1.133 -2.510 1.00 0.00 H ATOM 445 H LEU A 230 4.479 -5.469 -0.929 1.00 0.00 H ATOM 446 N LYS A 231 2.902 -4.415 2.088 1.00 0.00 N ATOM 447 CA LYS A 231 2.418 -4.344 3.460 1.00 0.00 C ATOM 448 C LYS A 231 3.558 -4.572 4.459 1.00 0.00 C ATOM 449 O LYS A 231 3.619 -3.895 5.481 1.00 0.00 O ATOM 450 CB LYS A 231 1.200 -5.263 3.672 1.00 0.00 C ATOM 451 CG LYS A 231 1.540 -6.713 4.027 1.00 0.00 C ATOM 452 CD LYS A 231 0.266 -7.562 4.087 1.00 0.00 C ATOM 453 CE LYS A 231 0.604 -9.003 4.483 1.00 0.00 C ATOM 454 NZ LYS A 231 -0.607 -9.841 4.536 1.00 0.00 N ATOM 455 HA LYS A 231 2.055 -3.335 3.654 1.00 0.00 H ATOM 456 HB2 LYS A 231 0.599 -4.848 4.481 1.00 0.00 H ATOM 457 HB3 LYS A 231 0.615 -5.268 2.752 1.00 0.00 H ATOM 458 HG2 LYS A 231 2.208 -7.121 3.269 1.00 0.00 H ATOM 459 HG3 LYS A 231 2.035 -6.739 4.998 1.00 0.00 H ATOM 460 HD2 LYS A 231 -0.415 -7.137 4.824 1.00 0.00 H ATOM 461 HD3 LYS A 231 -0.213 -7.561 3.108 1.00 0.00 H ATOM 462 HE2 LYS A 231 1.078 -9.000 5.465 1.00 0.00 H ATOM 463 HE3 LYS A 231 1.294 -9.421 3.750 1.00 0.00 H ATOM 464 HZ1 LYS A 231 -1.267 -9.450 5.238 1.00 0.00 H ATOM 465 HZ2 LYS A 231 -1.061 -9.852 3.600 1.00 0.00 H ATOM 466 HZ3 LYS A 231 -0.345 -10.810 4.807 1.00 0.00 H ATOM 467 H LYS A 231 2.571 -5.185 1.472 1.00 0.00 H ATOM 468 N ASN A 232 4.477 -5.506 4.175 1.00 0.00 N ATOM 469 CA ASN A 232 5.634 -5.719 5.043 1.00 0.00 C ATOM 470 C ASN A 232 6.457 -4.441 5.191 1.00 0.00 C ATOM 471 O ASN A 232 6.922 -4.147 6.288 1.00 0.00 O ATOM 472 CB ASN A 232 6.524 -6.874 4.564 1.00 0.00 C ATOM 473 CG ASN A 232 6.106 -8.205 5.178 1.00 0.00 C ATOM 474 OD1 ASN A 232 6.552 -8.557 6.265 1.00 0.00 O ATOM 475 ND2 ASN A 232 5.256 -8.961 4.494 1.00 0.00 N ATOM 476 HA ASN A 232 5.239 -5.997 6.020 1.00 0.00 H ATOM 477 HB2 ASN A 232 6.452 -6.948 3.479 1.00 0.00 H ATOM 478 HB3 ASN A 232 7.556 -6.664 4.845 1.00 0.00 H ATOM 479 HD22 ASN A 232 4.895 -8.636 3.575 1.00 0.00 H ATOM 480 HD21 ASN A 232 4.951 -9.878 4.878 1.00 0.00 H ATOM 481 H ASN A 232 4.365 -6.090 3.322 1.00 0.00 H ATOM 482 N GLN A 233 6.647 -3.680 4.110 1.00 0.00 N ATOM 483 CA GLN A 233 7.302 -2.385 4.210 1.00 0.00 C ATOM 484 C GLN A 233 6.407 -1.436 5.011 1.00 0.00 C ATOM 485 O GLN A 233 6.764 -0.978 6.096 1.00 0.00 O ATOM 486 CB GLN A 233 7.609 -1.833 2.809 1.00 0.00 C ATOM 487 CG GLN A 233 8.698 -2.653 2.103 1.00 0.00 C ATOM 488 CD GLN A 233 10.065 -2.507 2.763 1.00 0.00 C ATOM 489 OE1 GLN A 233 10.622 -3.470 3.277 1.00 0.00 O ATOM 490 NE2 GLN A 233 10.623 -1.300 2.757 1.00 0.00 N ATOM 491 HA GLN A 233 8.254 -2.486 4.731 1.00 0.00 H ATOM 492 HB2 GLN A 233 6.699 -1.863 2.210 1.00 0.00 H ATOM 493 HB3 GLN A 233 7.947 -0.801 2.902 1.00 0.00 H ATOM 494 HG2 GLN A 233 8.411 -3.704 2.123 1.00 0.00 H ATOM 495 HG3 GLN A 233 8.772 -2.317 1.069 1.00 0.00 H ATOM 496 HE22 GLN A 233 10.128 -0.500 2.313 1.00 0.00 H ATOM 497 HE21 GLN A 233 11.555 -1.156 3.196 1.00 0.00 H ATOM 498 H GLN A 233 6.322 -4.019 3.182 1.00 0.00 H ATOM 499 N LEU A 234 5.221 -1.139 4.482 1.00 0.00 N ATOM 500 CA LEU A 234 4.336 -0.135 5.046 1.00 0.00 C ATOM 501 C LEU A 234 3.427 -0.790 6.086 1.00 0.00 C ATOM 502 O LEU A 234 2.208 -0.791 5.941 1.00 0.00 O ATOM 503 CB LEU A 234 3.551 0.555 3.920 1.00 0.00 C ATOM 504 CG LEU A 234 4.447 1.134 2.810 1.00 0.00 C ATOM 505 CD1 LEU A 234 3.564 1.775 1.736 1.00 0.00 C ATOM 506 CD2 LEU A 234 5.432 2.184 3.339 1.00 0.00 C ATOM 507 HA LEU A 234 4.909 0.640 5.555 1.00 0.00 H ATOM 508 HB2 LEU A 234 2.876 -0.175 3.473 1.00 0.00 H ATOM 509 HB3 LEU A 234 2.969 1.369 4.353 1.00 0.00 H ATOM 510 HG LEU A 234 5.031 0.311 2.398 1.00 0.00 H ATOM 511 HD21 LEU A 234 4.877 3.008 3.787 1.00 0.00 H ATOM 512 HD22 LEU A 234 6.078 1.729 4.090 1.00 0.00 H ATOM 513 HD23 LEU A 234 6.039 2.559 2.515 1.00 0.00 H ATOM 514 HD11 LEU A 234 2.900 1.020 1.315 1.00 0.00 H ATOM 515 HD12 LEU A 234 2.972 2.573 2.183 1.00 0.00 H ATOM 516 HD13 LEU A 234 4.194 2.187 0.948 1.00 0.00 H ATOM 517 H LEU A 234 4.916 -1.648 3.628 1.00 0.00 H ATOM 518 N LYS A 235 4.031 -1.308 7.161 1.00 0.00 N ATOM 519 CA LYS A 235 3.336 -2.050 8.215 1.00 0.00 C ATOM 520 C LYS A 235 2.111 -1.309 8.764 1.00 0.00 C ATOM 521 O LYS A 235 1.114 -1.927 9.126 1.00 0.00 O ATOM 522 CB LYS A 235 4.306 -2.386 9.350 1.00 0.00 C ATOM 523 CG LYS A 235 5.461 -3.265 8.854 1.00 0.00 C ATOM 524 CD LYS A 235 6.071 -4.013 10.043 1.00 0.00 C ATOM 525 CE LYS A 235 7.337 -4.789 9.658 1.00 0.00 C ATOM 526 NZ LYS A 235 7.081 -5.780 8.598 1.00 0.00 N ATOM 527 HA LYS A 235 2.967 -2.970 7.761 1.00 0.00 H ATOM 528 HB2 LYS A 235 4.713 -1.460 9.755 1.00 0.00 H ATOM 529 HB3 LYS A 235 3.766 -2.918 10.133 1.00 0.00 H ATOM 530 HG2 LYS A 235 5.086 -3.983 8.125 1.00 0.00 H ATOM 531 HG3 LYS A 235 6.222 -2.639 8.388 1.00 0.00 H ATOM 532 HD2 LYS A 235 6.325 -3.290 10.819 1.00 0.00 H ATOM 533 HD3 LYS A 235 5.333 -4.716 10.431 1.00 0.00 H ATOM 534 HE2 LYS A 235 7.713 -5.307 10.540 1.00 0.00 H ATOM 535 HE3 LYS A 235 8.088 -4.083 9.305 1.00 0.00 H ATOM 536 HZ1 LYS A 235 6.370 -6.463 8.928 1.00 0.00 H ATOM 537 HZ2 LYS A 235 6.728 -5.294 7.749 1.00 0.00 H ATOM 538 HZ3 LYS A 235 7.965 -6.279 8.371 1.00 0.00 H ATOM 539 H LYS A 235 5.058 -1.176 7.254 1.00 0.00 H ATOM 540 N HIS A 236 2.192 0.021 8.833 1.00 0.00 N ATOM 541 CA HIS A 236 1.124 0.863 9.353 1.00 0.00 C ATOM 542 C HIS A 236 -0.105 0.863 8.434 1.00 0.00 C ATOM 543 O HIS A 236 -1.214 1.142 8.884 1.00 0.00 O ATOM 544 CB HIS A 236 1.660 2.292 9.528 1.00 0.00 C ATOM 545 CG HIS A 236 2.168 2.915 8.248 1.00 0.00 C ATOM 546 ND1 HIS A 236 3.481 2.962 7.832 1.00 0.00 N ATOM 547 CD2 HIS A 236 1.405 3.498 7.270 1.00 0.00 C ATOM 548 CE1 HIS A 236 3.500 3.556 6.626 1.00 0.00 C ATOM 549 NE2 HIS A 236 2.260 3.895 6.239 1.00 0.00 N ATOM 550 HA HIS A 236 0.803 0.461 10.314 1.00 0.00 H ATOM 551 HB2 HIS A 236 0.856 2.916 9.918 1.00 0.00 H ATOM 552 HB3 HIS A 236 2.479 2.266 10.247 1.00 0.00 H ATOM 553 HD2 HIS A 236 0.323 3.629 7.293 1.00 0.00 H ATOM 554 HE1 HIS A 236 4.401 3.738 6.041 1.00 0.00 H ATOM 555 H HIS A 236 3.063 0.480 8.498 1.00 0.00 H ATOM 556 N MET A 237 0.089 0.597 7.141 1.00 0.00 N ATOM 557 CA MET A 237 -0.931 0.767 6.126 1.00 0.00 C ATOM 558 C MET A 237 -1.726 -0.539 6.036 1.00 0.00 C ATOM 559 O MET A 237 -1.331 -1.487 5.360 1.00 0.00 O ATOM 560 CB MET A 237 -0.244 1.186 4.812 1.00 0.00 C ATOM 561 CG MET A 237 -0.898 2.411 4.164 1.00 0.00 C ATOM 562 SD MET A 237 -2.632 2.219 3.688 1.00 0.00 S ATOM 563 CE MET A 237 -2.948 3.841 2.961 1.00 0.00 C ATOM 564 HA MET A 237 -1.644 1.556 6.365 1.00 0.00 H ATOM 565 HB2 MET A 237 0.800 1.419 5.023 1.00 0.00 H ATOM 566 HB3 MET A 237 -0.294 0.353 4.111 1.00 0.00 H ATOM 567 HG2 MET A 237 -0.330 2.658 3.267 1.00 0.00 H ATOM 568 HG3 MET A 237 -0.835 3.238 4.872 1.00 0.00 H ATOM 569 HE1 MET A 237 -2.779 4.613 3.712 1.00 0.00 H ATOM 570 HE2 MET A 237 -2.274 3.998 2.119 1.00 0.00 H ATOM 571 HE3 MET A 237 -3.981 3.888 2.615 1.00 0.00 H ATOM 572 H MET A 237 1.023 0.249 6.846 1.00 0.00 H ATOM 573 N SER A 238 -2.834 -0.601 6.778 1.00 0.00 N ATOM 574 CA SER A 238 -3.663 -1.785 6.925 1.00 0.00 C ATOM 575 C SER A 238 -4.083 -2.386 5.577 1.00 0.00 C ATOM 576 O SER A 238 -4.281 -1.662 4.602 1.00 0.00 O ATOM 577 CB SER A 238 -4.881 -1.396 7.765 1.00 0.00 C ATOM 578 OG SER A 238 -4.461 -0.576 8.842 1.00 0.00 O ATOM 579 HA SER A 238 -3.087 -2.566 7.421 1.00 0.00 H ATOM 580 HB2 SER A 238 -5.358 -2.295 8.155 1.00 0.00 H ATOM 581 HB3 SER A 238 -5.592 -0.849 7.146 1.00 0.00 H ATOM 582 HG SER A 238 -5.247 -0.322 9.388 1.00 0.00 H ATOM 583 H SER A 238 -3.124 0.259 7.287 1.00 0.00 H ATOM 584 N VAL A 239 -4.246 -3.714 5.532 1.00 0.00 N ATOM 585 CA VAL A 239 -4.509 -4.460 4.303 1.00 0.00 C ATOM 586 C VAL A 239 -5.675 -3.841 3.526 1.00 0.00 C ATOM 587 O VAL A 239 -5.543 -3.566 2.337 1.00 0.00 O ATOM 588 CB VAL A 239 -4.764 -5.953 4.594 1.00 0.00 C ATOM 589 CG1 VAL A 239 -4.746 -6.774 3.298 1.00 0.00 C ATOM 590 CG2 VAL A 239 -3.720 -6.552 5.548 1.00 0.00 C ATOM 591 HA VAL A 239 -3.617 -4.396 3.679 1.00 0.00 H ATOM 592 HB VAL A 239 -5.745 -6.002 5.066 1.00 0.00 H ATOM 593 HG11 VAL A 239 -5.524 -6.409 2.627 1.00 0.00 H ATOM 594 HG12 VAL A 239 -3.773 -6.671 2.818 1.00 0.00 H ATOM 595 HG13 VAL A 239 -4.928 -7.823 3.531 1.00 0.00 H ATOM 596 HG21 VAL A 239 -2.729 -6.460 5.104 1.00 0.00 H ATOM 597 HG22 VAL A 239 -3.746 -6.015 6.496 1.00 0.00 H ATOM 598 HG23 VAL A 239 -3.947 -7.604 5.719 1.00 0.00 H ATOM 599 H VAL A 239 -4.182 -4.246 6.423 1.00 0.00 H ATOM 600 N SER A 240 -6.810 -3.606 4.191 1.00 0.00 N ATOM 601 CA SER A 240 -7.980 -2.978 3.597 1.00 0.00 C ATOM 602 C SER A 240 -7.616 -1.637 2.954 1.00 0.00 C ATOM 603 O SER A 240 -7.915 -1.391 1.788 1.00 0.00 O ATOM 604 CB SER A 240 -9.036 -2.801 4.692 1.00 0.00 C ATOM 605 OG SER A 240 -9.043 -3.955 5.514 1.00 0.00 O ATOM 606 HA SER A 240 -8.378 -3.610 2.803 1.00 0.00 H ATOM 607 HB2 SER A 240 -10.018 -2.670 4.236 1.00 0.00 H ATOM 608 HB3 SER A 240 -8.796 -1.924 5.294 1.00 0.00 H ATOM 609 HG SER A 240 -9.724 -3.848 6.225 1.00 0.00 H ATOM 610 H SER A 240 -6.860 -3.888 5.191 1.00 0.00 H ATOM 611 N SER A 241 -6.936 -0.780 3.711 1.00 0.00 N ATOM 612 CA SER A 241 -6.488 0.520 3.255 1.00 0.00 C ATOM 613 C SER A 241 -5.592 0.384 2.018 1.00 0.00 C ATOM 614 O SER A 241 -5.766 1.117 1.046 1.00 0.00 O ATOM 615 CB SER A 241 -5.794 1.214 4.428 1.00 0.00 C ATOM 616 OG SER A 241 -6.579 1.035 5.594 1.00 0.00 O ATOM 617 HA SER A 241 -7.330 1.135 2.937 1.00 0.00 H ATOM 618 HB2 SER A 241 -5.691 2.278 4.215 1.00 0.00 H ATOM 619 HB3 SER A 241 -4.807 0.778 4.580 1.00 0.00 H ATOM 620 HG SER A 241 -6.137 1.481 6.359 1.00 0.00 H ATOM 621 H SER A 241 -6.713 -1.060 4.688 1.00 0.00 H ATOM 622 N ILE A 242 -4.666 -0.578 2.022 1.00 0.00 N ATOM 623 CA ILE A 242 -3.879 -0.876 0.833 1.00 0.00 C ATOM 624 C ILE A 242 -4.769 -1.379 -0.302 1.00 0.00 C ATOM 625 O ILE A 242 -4.548 -0.982 -1.435 1.00 0.00 O ATOM 626 CB ILE A 242 -2.705 -1.823 1.135 1.00 0.00 C ATOM 627 CG1 ILE A 242 -1.632 -1.122 1.988 1.00 0.00 C ATOM 628 CG2 ILE A 242 -2.068 -2.378 -0.152 1.00 0.00 C ATOM 629 CD1 ILE A 242 -0.998 0.113 1.327 1.00 0.00 C ATOM 630 HA ILE A 242 -3.426 0.056 0.494 1.00 0.00 H ATOM 631 HB ILE A 242 -3.115 -2.661 1.699 1.00 0.00 H ATOM 632 HG12 ILE A 242 -2.093 -0.808 2.925 1.00 0.00 H ATOM 633 HG13 ILE A 242 -0.840 -1.841 2.197 1.00 0.00 H ATOM 634 HD11 ILE A 242 -0.519 -0.182 0.393 1.00 0.00 H ATOM 635 HD12 ILE A 242 -1.773 0.852 1.122 1.00 0.00 H ATOM 636 HD13 ILE A 242 -0.255 0.542 1.999 1.00 0.00 H ATOM 637 HG21 ILE A 242 -2.817 -2.932 -0.717 1.00 0.00 H ATOM 638 HG22 ILE A 242 -1.694 -1.552 -0.756 1.00 0.00 H ATOM 639 HG23 ILE A 242 -1.244 -3.042 0.109 1.00 0.00 H ATOM 640 H ILE A 242 -4.503 -1.125 2.891 1.00 0.00 H ATOM 641 N LYS A 243 -5.768 -2.226 -0.051 1.00 0.00 N ATOM 642 CA LYS A 243 -6.649 -2.702 -1.113 1.00 0.00 C ATOM 643 C LYS A 243 -7.372 -1.516 -1.767 1.00 0.00 C ATOM 644 O LYS A 243 -7.456 -1.409 -2.990 1.00 0.00 O ATOM 645 CB LYS A 243 -7.625 -3.751 -0.558 1.00 0.00 C ATOM 646 CG LYS A 243 -8.628 -4.321 -1.573 1.00 0.00 C ATOM 647 CD LYS A 243 -8.018 -5.243 -2.644 1.00 0.00 C ATOM 648 CE LYS A 243 -7.458 -4.558 -3.900 1.00 0.00 C ATOM 649 NZ LYS A 243 -8.422 -3.638 -4.526 1.00 0.00 N ATOM 650 HA LYS A 243 -6.060 -3.189 -1.890 1.00 0.00 H ATOM 651 HB2 LYS A 243 -7.039 -4.580 -0.162 1.00 0.00 H ATOM 652 HB3 LYS A 243 -8.191 -3.289 0.251 1.00 0.00 H ATOM 653 HG2 LYS A 243 -9.378 -4.890 -1.024 1.00 0.00 H ATOM 654 HG3 LYS A 243 -9.108 -3.484 -2.081 1.00 0.00 H ATOM 655 HD2 LYS A 243 -7.204 -5.798 -2.178 1.00 0.00 H ATOM 656 HD3 LYS A 243 -8.794 -5.938 -2.964 1.00 0.00 H ATOM 657 HE2 LYS A 243 -7.188 -5.326 -4.625 1.00 0.00 H ATOM 658 HE3 LYS A 243 -6.568 -3.994 -3.622 1.00 0.00 H ATOM 659 HZ1 LYS A 243 -9.273 -4.167 -4.805 1.00 0.00 H ATOM 660 HZ2 LYS A 243 -8.681 -2.894 -3.847 1.00 0.00 H ATOM 661 HZ3 LYS A 243 -7.990 -3.205 -5.367 1.00 0.00 H ATOM 662 H LYS A 243 -5.923 -2.555 0.923 1.00 0.00 H ATOM 663 N GLN A 244 -7.881 -0.608 -0.936 1.00 0.00 N ATOM 664 CA GLN A 244 -8.496 0.638 -1.374 1.00 0.00 C ATOM 665 C GLN A 244 -7.493 1.450 -2.205 1.00 0.00 C ATOM 666 O GLN A 244 -7.804 1.877 -3.317 1.00 0.00 O ATOM 667 CB GLN A 244 -8.993 1.420 -0.150 1.00 0.00 C ATOM 668 CG GLN A 244 -10.123 0.683 0.588 1.00 0.00 C ATOM 669 CD GLN A 244 -10.255 1.152 2.034 1.00 0.00 C ATOM 670 OE1 GLN A 244 -10.166 0.361 2.969 1.00 0.00 O ATOM 671 NE2 GLN A 244 -10.459 2.450 2.238 1.00 0.00 N ATOM 672 HA GLN A 244 -9.356 0.429 -2.010 1.00 0.00 H ATOM 673 HB2 GLN A 244 -8.159 1.564 0.537 1.00 0.00 H ATOM 674 HB3 GLN A 244 -9.363 2.391 -0.479 1.00 0.00 H ATOM 675 HG2 GLN A 244 -11.064 0.869 0.069 1.00 0.00 H ATOM 676 HG3 GLN A 244 -9.911 -0.386 0.581 1.00 0.00 H ATOM 677 HE22 GLN A 244 -10.531 3.099 1.428 1.00 0.00 H ATOM 678 HE21 GLN A 244 -10.547 2.817 3.207 1.00 0.00 H ATOM 679 H GLN A 244 -7.837 -0.800 0.085 1.00 0.00 H ATOM 680 N ALA A 245 -6.277 1.643 -1.681 1.00 0.00 N ATOM 681 CA ALA A 245 -5.224 2.360 -2.390 1.00 0.00 C ATOM 682 C ALA A 245 -4.934 1.718 -3.747 1.00 0.00 C ATOM 683 O ALA A 245 -4.859 2.409 -4.757 1.00 0.00 O ATOM 684 CB ALA A 245 -3.957 2.441 -1.534 1.00 0.00 C ATOM 685 HA ALA A 245 -5.573 3.376 -2.577 1.00 0.00 H ATOM 686 HB1 ALA A 245 -4.180 2.967 -0.606 1.00 0.00 H ATOM 687 HB2 ALA A 245 -3.608 1.434 -1.307 1.00 0.00 H ATOM 688 HB3 ALA A 245 -3.184 2.980 -2.082 1.00 0.00 H ATOM 689 H ALA A 245 -6.075 1.267 -0.732 1.00 0.00 H ATOM 690 N VAL A 246 -4.789 0.393 -3.774 1.00 0.00 N ATOM 691 CA VAL A 246 -4.567 -0.401 -4.968 1.00 0.00 C ATOM 692 C VAL A 246 -5.690 -0.120 -5.963 1.00 0.00 C ATOM 693 O VAL A 246 -5.422 0.223 -7.113 1.00 0.00 O ATOM 694 CB VAL A 246 -4.477 -1.892 -4.584 1.00 0.00 C ATOM 695 CG1 VAL A 246 -4.742 -2.837 -5.761 1.00 0.00 C ATOM 696 CG2 VAL A 246 -3.114 -2.239 -3.970 1.00 0.00 C ATOM 697 HA VAL A 246 -3.624 -0.134 -5.445 1.00 0.00 H ATOM 698 HB VAL A 246 -5.264 -2.041 -3.845 1.00 0.00 H ATOM 699 HG11 VAL A 246 -5.744 -2.657 -6.151 1.00 0.00 H ATOM 700 HG12 VAL A 246 -4.007 -2.654 -6.545 1.00 0.00 H ATOM 701 HG13 VAL A 246 -4.663 -3.870 -5.421 1.00 0.00 H ATOM 702 HG21 VAL A 246 -2.326 -2.022 -4.691 1.00 0.00 H ATOM 703 HG22 VAL A 246 -2.960 -1.643 -3.071 1.00 0.00 H ATOM 704 HG23 VAL A 246 -3.092 -3.298 -3.713 1.00 0.00 H ATOM 705 H VAL A 246 -4.839 -0.112 -2.866 1.00 0.00 H ATOM 706 N ASP A 247 -6.947 -0.258 -5.524 1.00 0.00 N ATOM 707 CA ASP A 247 -8.095 0.030 -6.370 1.00 0.00 C ATOM 708 C ASP A 247 -7.980 1.438 -6.953 1.00 0.00 C ATOM 709 O ASP A 247 -8.043 1.604 -8.171 1.00 0.00 O ATOM 710 CB ASP A 247 -9.408 -0.139 -5.597 1.00 0.00 C ATOM 711 CG ASP A 247 -10.595 0.285 -6.457 1.00 0.00 C ATOM 712 OD1 ASP A 247 -10.897 -0.460 -7.415 1.00 0.00 O ATOM 713 OD2 ASP A 247 -11.161 1.357 -6.156 1.00 0.00 O ATOM 714 HA ASP A 247 -8.104 -0.686 -7.192 1.00 0.00 H ATOM 715 HB2 ASP A 247 -9.526 -1.185 -5.314 1.00 0.00 H ATOM 716 HB3 ASP A 247 -9.377 0.478 -4.699 1.00 0.00 H ATOM 717 H ASP A 247 -7.108 -0.581 -4.549 1.00 0.00 H ATOM 718 N PHE A 248 -7.803 2.444 -6.096 1.00 0.00 N ATOM 719 CA PHE A 248 -7.692 3.828 -6.535 1.00 0.00 C ATOM 720 C PHE A 248 -6.579 3.985 -7.575 1.00 0.00 C ATOM 721 O PHE A 248 -6.840 4.371 -8.710 1.00 0.00 O ATOM 722 CB PHE A 248 -7.470 4.747 -5.330 1.00 0.00 C ATOM 723 CG PHE A 248 -7.253 6.199 -5.707 1.00 0.00 C ATOM 724 CD1 PHE A 248 -8.319 6.968 -6.210 1.00 0.00 C ATOM 725 CD2 PHE A 248 -5.978 6.778 -5.578 1.00 0.00 C ATOM 726 CE1 PHE A 248 -8.120 8.322 -6.535 1.00 0.00 C ATOM 727 CE2 PHE A 248 -5.800 8.148 -5.824 1.00 0.00 C ATOM 728 CZ PHE A 248 -6.866 8.920 -6.319 1.00 0.00 C ATOM 729 HA PHE A 248 -8.626 4.119 -7.015 1.00 0.00 H ATOM 730 HB2 PHE A 248 -8.345 4.686 -4.683 1.00 0.00 H ATOM 731 HB3 PHE A 248 -6.593 4.397 -4.786 1.00 0.00 H ATOM 732 HD2 PHE A 248 -5.127 6.162 -5.287 1.00 0.00 H ATOM 733 HE2 PHE A 248 -4.834 8.614 -5.631 1.00 0.00 H ATOM 734 HZ PHE A 248 -6.721 9.979 -6.535 1.00 0.00 H ATOM 735 HE1 PHE A 248 -8.938 8.908 -6.954 1.00 0.00 H ATOM 736 HD1 PHE A 248 -9.300 6.514 -6.348 1.00 0.00 H ATOM 737 H PHE A 248 -7.742 2.233 -5.079 1.00 0.00 H ATOM 738 N LEU A 249 -5.340 3.661 -7.209 1.00 0.00 N ATOM 739 CA LEU A 249 -4.179 3.790 -8.079 1.00 0.00 C ATOM 740 C LEU A 249 -4.364 3.011 -9.385 1.00 0.00 C ATOM 741 O LEU A 249 -3.914 3.464 -10.438 1.00 0.00 O ATOM 742 CB LEU A 249 -2.922 3.333 -7.328 1.00 0.00 C ATOM 743 CG LEU A 249 -2.542 4.218 -6.126 1.00 0.00 C ATOM 744 CD1 LEU A 249 -1.413 3.537 -5.342 1.00 0.00 C ATOM 745 CD2 LEU A 249 -2.085 5.612 -6.571 1.00 0.00 C ATOM 746 HA LEU A 249 -4.064 4.839 -8.354 1.00 0.00 H ATOM 747 HB2 LEU A 249 -3.091 2.319 -6.965 1.00 0.00 H ATOM 748 HB3 LEU A 249 -2.087 3.332 -8.029 1.00 0.00 H ATOM 749 HG LEU A 249 -3.425 4.340 -5.499 1.00 0.00 H ATOM 750 HD21 LEU A 249 -1.213 5.518 -7.218 1.00 0.00 H ATOM 751 HD22 LEU A 249 -2.892 6.101 -7.116 1.00 0.00 H ATOM 752 HD23 LEU A 249 -1.826 6.205 -5.694 1.00 0.00 H ATOM 753 HD11 LEU A 249 -1.753 2.563 -4.989 1.00 0.00 H ATOM 754 HD12 LEU A 249 -0.548 3.407 -5.992 1.00 0.00 H ATOM 755 HD13 LEU A 249 -1.139 4.158 -4.489 1.00 0.00 H ATOM 756 H LEU A 249 -5.193 3.295 -6.247 1.00 0.00 H ATOM 757 N SER A 250 -5.025 1.852 -9.335 1.00 0.00 N ATOM 758 CA SER A 250 -5.387 1.114 -10.536 1.00 0.00 C ATOM 759 C SER A 250 -6.357 1.948 -11.381 1.00 0.00 C ATOM 760 O SER A 250 -6.129 2.132 -12.576 1.00 0.00 O ATOM 761 CB SER A 250 -5.952 -0.269 -10.173 1.00 0.00 C ATOM 762 OG SER A 250 -6.117 -1.061 -11.336 1.00 0.00 O ATOM 763 HA SER A 250 -4.497 0.935 -11.140 1.00 0.00 H ATOM 764 HB2 SER A 250 -6.918 -0.145 -9.684 1.00 0.00 H ATOM 765 HB3 SER A 250 -5.264 -0.770 -9.493 1.00 0.00 H ATOM 766 HG SER A 250 -6.481 -1.946 -11.082 1.00 0.00 H ATOM 767 H SER A 250 -5.290 1.464 -8.407 1.00 0.00 H ATOM 768 N ASN A 251 -7.430 2.474 -10.782 1.00 0.00 N ATOM 769 CA ASN A 251 -8.420 3.290 -11.489 1.00 0.00 C ATOM 770 C ASN A 251 -7.777 4.538 -12.099 1.00 0.00 C ATOM 771 O ASN A 251 -8.137 4.937 -13.206 1.00 0.00 O ATOM 772 CB ASN A 251 -9.589 3.682 -10.571 1.00 0.00 C ATOM 773 CG ASN A 251 -10.648 2.586 -10.475 1.00 0.00 C ATOM 774 OD1 ASN A 251 -11.694 2.670 -11.108 1.00 0.00 O ATOM 775 ND2 ASN A 251 -10.397 1.555 -9.677 1.00 0.00 N ATOM 776 HA ASN A 251 -8.819 2.680 -12.299 1.00 0.00 H ATOM 777 HB2 ASN A 251 -9.199 3.880 -9.573 1.00 0.00 H ATOM 778 HB3 ASN A 251 -10.055 4.586 -10.964 1.00 0.00 H ATOM 779 HD22 ASN A 251 -9.500 1.510 -9.152 1.00 0.00 H ATOM 780 HD21 ASN A 251 -11.097 0.792 -9.577 1.00 0.00 H ATOM 781 H ASN A 251 -7.568 2.296 -9.767 1.00 0.00 H ATOM 782 N GLU A 252 -6.818 5.147 -11.392 1.00 0.00 N ATOM 783 CA GLU A 252 -6.024 6.267 -11.888 1.00 0.00 C ATOM 784 C GLU A 252 -5.041 5.854 -12.991 1.00 0.00 C ATOM 785 O GLU A 252 -4.340 6.703 -13.539 1.00 0.00 O ATOM 786 CB GLU A 252 -5.278 6.944 -10.729 1.00 0.00 C ATOM 787 CG GLU A 252 -6.188 7.540 -9.644 1.00 0.00 C ATOM 788 CD GLU A 252 -7.126 8.614 -10.189 1.00 0.00 C ATOM 789 OE1 GLU A 252 -6.601 9.666 -10.610 1.00 0.00 O ATOM 790 OE2 GLU A 252 -8.353 8.364 -10.184 1.00 0.00 O ATOM 791 HA GLU A 252 -6.719 6.977 -12.336 1.00 0.00 H ATOM 792 HB2 GLU A 252 -4.631 6.202 -10.261 1.00 0.00 H ATOM 793 HB3 GLU A 252 -4.668 7.748 -11.141 1.00 0.00 H ATOM 794 HG2 GLU A 252 -6.788 6.739 -9.212 1.00 0.00 H ATOM 795 HG3 GLU A 252 -5.563 7.983 -8.868 1.00 0.00 H ATOM 796 H GLU A 252 -6.627 4.801 -10.430 1.00 0.00 H ATOM 797 N GLY A 253 -4.947 4.560 -13.307 1.00 0.00 N ATOM 798 CA GLY A 253 -4.015 4.056 -14.297 1.00 0.00 C ATOM 799 C GLY A 253 -2.570 4.300 -13.877 1.00 0.00 C ATOM 800 O GLY A 253 -1.697 4.453 -14.726 1.00 0.00 O ATOM 801 HA3 GLY A 253 -4.199 4.560 -15.246 1.00 0.00 H ATOM 802 HA2 GLY A 253 -4.173 2.984 -14.420 1.00 0.00 H ATOM 803 H GLY A 253 -5.570 3.883 -12.821 1.00 0.00 H ATOM 804 N HIS A 254 -2.308 4.351 -12.568 1.00 0.00 N ATOM 805 CA HIS A 254 -0.973 4.576 -12.047 1.00 0.00 C ATOM 806 C HIS A 254 -0.263 3.235 -11.915 1.00 0.00 C ATOM 807 O HIS A 254 0.774 3.020 -12.543 1.00 0.00 O ATOM 808 CB HIS A 254 -1.060 5.348 -10.725 1.00 0.00 C ATOM 809 CG HIS A 254 -1.591 6.750 -10.896 1.00 0.00 C ATOM 810 ND1 HIS A 254 -1.818 7.388 -12.095 1.00 0.00 N ATOM 811 CD2 HIS A 254 -1.872 7.643 -9.896 1.00 0.00 C ATOM 812 CE1 HIS A 254 -2.203 8.644 -11.822 1.00 0.00 C ATOM 813 NE2 HIS A 254 -2.249 8.846 -10.496 1.00 0.00 N ATOM 814 HA HIS A 254 -0.383 5.190 -12.728 1.00 0.00 H ATOM 815 HB2 HIS A 254 -1.721 4.806 -10.048 1.00 0.00 H ATOM 816 HB3 HIS A 254 -0.063 5.405 -10.289 1.00 0.00 H ATOM 817 HD2 HIS A 254 -1.812 7.449 -8.825 1.00 0.00 H ATOM 818 HE1 HIS A 254 -2.445 9.396 -12.573 1.00 0.00 H ATOM 819 H HIS A 254 -3.092 4.224 -11.896 1.00 0.00 H ATOM 820 N ILE A 255 -0.839 2.326 -11.124 1.00 0.00 N ATOM 821 CA ILE A 255 -0.319 0.972 -10.986 1.00 0.00 C ATOM 822 C ILE A 255 -1.118 0.011 -11.852 1.00 0.00 C ATOM 823 O ILE A 255 -2.239 0.308 -12.263 1.00 0.00 O ATOM 824 CB ILE A 255 -0.277 0.511 -9.520 1.00 0.00 C ATOM 825 CG1 ILE A 255 -1.675 0.207 -8.958 1.00 0.00 C ATOM 826 CG2 ILE A 255 0.481 1.543 -8.680 1.00 0.00 C ATOM 827 CD1 ILE A 255 -1.621 -0.347 -7.534 1.00 0.00 C ATOM 828 HA ILE A 255 0.713 0.975 -11.335 1.00 0.00 H ATOM 829 HB ILE A 255 0.262 -0.435 -9.472 1.00 0.00 H ATOM 830 HG12 ILE A 255 -2.259 1.127 -8.954 1.00 0.00 H ATOM 831 HG13 ILE A 255 -2.160 -0.527 -9.602 1.00 0.00 H ATOM 832 HD11 ILE A 255 -1.045 -1.273 -7.527 1.00 0.00 H ATOM 833 HD12 ILE A 255 -1.145 0.383 -6.879 1.00 0.00 H ATOM 834 HD13 ILE A 255 -2.634 -0.545 -7.184 1.00 0.00 H ATOM 835 HG21 ILE A 255 1.498 1.642 -9.059 1.00 0.00 H ATOM 836 HG22 ILE A 255 -0.027 2.505 -8.744 1.00 0.00 H ATOM 837 HG23 ILE A 255 0.509 1.214 -7.641 1.00 0.00 H ATOM 838 H ILE A 255 -1.689 2.594 -10.588 1.00 0.00 H ATOM 839 N TYR A 256 -0.546 -1.167 -12.085 1.00 0.00 N ATOM 840 CA TYR A 256 -1.225 -2.289 -12.695 1.00 0.00 C ATOM 841 C TYR A 256 -0.639 -3.559 -12.116 1.00 0.00 C ATOM 842 O TYR A 256 0.486 -3.557 -11.613 1.00 0.00 O ATOM 843 CB TYR A 256 -1.103 -2.274 -14.218 1.00 0.00 C ATOM 844 CG TYR A 256 0.297 -2.453 -14.782 1.00 0.00 C ATOM 845 CD1 TYR A 256 1.296 -1.483 -14.573 1.00 0.00 C ATOM 846 CD2 TYR A 256 0.597 -3.598 -15.541 1.00 0.00 C ATOM 847 CE1 TYR A 256 2.596 -1.698 -15.061 1.00 0.00 C ATOM 848 CE2 TYR A 256 1.862 -3.752 -16.125 1.00 0.00 C ATOM 849 CZ TYR A 256 2.874 -2.819 -15.857 1.00 0.00 C ATOM 850 OH TYR A 256 4.126 -3.009 -16.361 1.00 0.00 O ATOM 851 HA TYR A 256 -2.291 -2.228 -12.476 1.00 0.00 H ATOM 852 HB3 TYR A 256 -1.485 -1.317 -14.573 1.00 0.00 H ATOM 853 HB2 TYR A 256 -1.725 -3.079 -14.609 1.00 0.00 H ATOM 854 HD2 TYR A 256 -0.159 -4.371 -15.676 1.00 0.00 H ATOM 855 HE2 TYR A 256 2.059 -4.596 -16.786 1.00 0.00 H ATOM 856 HE1 TYR A 256 3.391 -0.992 -14.820 1.00 0.00 H ATOM 857 HD1 TYR A 256 1.061 -0.566 -14.033 1.00 0.00 H ATOM 858 HH TYR A 256 4.711 -2.263 -16.078 1.00 0.00 H ATOM 859 H TYR A 256 0.450 -1.289 -11.812 1.00 0.00 H ATOM 860 N SER A 257 -1.421 -4.628 -12.194 1.00 0.00 N ATOM 861 CA SER A 257 -1.045 -5.953 -11.747 1.00 0.00 C ATOM 862 C SER A 257 -0.356 -6.651 -12.913 1.00 0.00 C ATOM 863 O SER A 257 -0.688 -6.383 -14.069 1.00 0.00 O ATOM 864 CB SER A 257 -2.315 -6.695 -11.329 1.00 0.00 C ATOM 865 OG SER A 257 -3.344 -6.439 -12.271 1.00 0.00 O ATOM 866 HA SER A 257 -0.366 -5.923 -10.895 1.00 0.00 H ATOM 867 HB2 SER A 257 -2.630 -6.351 -10.344 1.00 0.00 H ATOM 868 HB3 SER A 257 -2.115 -7.766 -11.291 1.00 0.00 H ATOM 869 HG SER A 257 -3.057 -6.753 -13.165 1.00 0.00 H ATOM 870 H SER A 257 -2.369 -4.506 -12.604 1.00 0.00 H ATOM 871 N THR A 258 0.622 -7.507 -12.621 1.00 0.00 N ATOM 872 CA THR A 258 1.469 -8.101 -13.647 1.00 0.00 C ATOM 873 C THR A 258 1.392 -9.623 -13.597 1.00 0.00 C ATOM 874 O THR A 258 0.484 -10.211 -14.174 1.00 0.00 O ATOM 875 CB THR A 258 2.898 -7.573 -13.490 1.00 0.00 C ATOM 876 OG1 THR A 258 3.304 -7.680 -12.141 1.00 0.00 O ATOM 877 CG2 THR A 258 2.989 -6.109 -13.914 1.00 0.00 C ATOM 878 HA THR A 258 1.114 -7.811 -14.636 1.00 0.00 H ATOM 879 HB THR A 258 3.549 -8.171 -14.128 1.00 0.00 H ATOM 880 HG1 THR A 258 2.694 -7.148 -11.571 1.00 0.00 H ATOM 881 HG23 THR A 258 2.678 -6.013 -14.954 1.00 0.00 H ATOM 882 HG21 THR A 258 2.336 -5.508 -13.281 1.00 0.00 H ATOM 883 HG22 THR A 258 4.018 -5.765 -13.808 1.00 0.00 H ATOM 884 H THR A 258 0.787 -7.760 -11.626 1.00 0.00 H ATOM 885 N VAL A 259 2.351 -10.269 -12.931 1.00 0.00 N ATOM 886 CA VAL A 259 2.470 -11.725 -12.964 1.00 0.00 C ATOM 887 C VAL A 259 1.330 -12.386 -12.179 1.00 0.00 C ATOM 888 O VAL A 259 0.982 -13.535 -12.438 1.00 0.00 O ATOM 889 CB VAL A 259 3.861 -12.177 -12.479 1.00 0.00 C ATOM 890 CG1 VAL A 259 4.988 -11.403 -13.176 1.00 0.00 C ATOM 891 CG2 VAL A 259 4.008 -12.033 -10.965 1.00 0.00 C ATOM 892 HA VAL A 259 2.375 -12.056 -13.998 1.00 0.00 H ATOM 893 HB VAL A 259 3.946 -13.232 -12.741 1.00 0.00 H ATOM 894 HG11 VAL A 259 4.930 -11.569 -14.252 1.00 0.00 H ATOM 895 HG12 VAL A 259 4.881 -10.339 -12.965 1.00 0.00 H ATOM 896 HG13 VAL A 259 5.951 -11.753 -12.805 1.00 0.00 H ATOM 897 HG21 VAL A 259 3.870 -10.989 -10.686 1.00 0.00 H ATOM 898 HG22 VAL A 259 3.256 -12.646 -10.468 1.00 0.00 H ATOM 899 HG23 VAL A 259 5.003 -12.362 -10.665 1.00 0.00 H ATOM 900 H VAL A 259 3.034 -9.720 -12.372 1.00 0.00 H ATOM 901 N ASP A 260 0.763 -11.661 -11.210 1.00 0.00 N ATOM 902 CA ASP A 260 -0.348 -12.090 -10.382 1.00 0.00 C ATOM 903 C ASP A 260 -1.180 -10.855 -10.043 1.00 0.00 C ATOM 904 O ASP A 260 -0.647 -9.744 -10.001 1.00 0.00 O ATOM 905 CB ASP A 260 0.182 -12.765 -9.111 1.00 0.00 C ATOM 906 CG ASP A 260 -0.950 -13.099 -8.147 1.00 0.00 C ATOM 907 OD1 ASP A 260 -1.600 -14.142 -8.370 1.00 0.00 O ATOM 908 OD2 ASP A 260 -1.176 -12.277 -7.232 1.00 0.00 O ATOM 909 HA ASP A 260 -0.968 -12.817 -10.907 1.00 0.00 H ATOM 910 HB2 ASP A 260 0.697 -13.685 -9.386 1.00 0.00 H ATOM 911 HB3 ASP A 260 0.882 -12.092 -8.617 1.00 0.00 H ATOM 912 H ASP A 260 1.150 -10.712 -11.035 1.00 0.00 H ATOM 913 N ASP A 261 -2.474 -11.058 -9.781 1.00 0.00 N ATOM 914 CA ASP A 261 -3.421 -10.032 -9.360 1.00 0.00 C ATOM 915 C ASP A 261 -2.823 -9.095 -8.310 1.00 0.00 C ATOM 916 O ASP A 261 -2.960 -7.881 -8.423 1.00 0.00 O ATOM 917 CB ASP A 261 -4.683 -10.696 -8.793 1.00 0.00 C ATOM 918 CG ASP A 261 -5.451 -11.475 -9.854 1.00 0.00 C ATOM 919 OD1 ASP A 261 -4.892 -12.487 -10.331 1.00 0.00 O ATOM 920 OD2 ASP A 261 -6.578 -11.042 -10.175 1.00 0.00 O ATOM 921 HA ASP A 261 -3.670 -9.434 -10.237 1.00 0.00 H ATOM 922 HB2 ASP A 261 -4.392 -11.381 -7.997 1.00 0.00 H ATOM 923 HB3 ASP A 261 -5.334 -9.922 -8.385 1.00 0.00 H ATOM 924 H ASP A 261 -2.836 -12.027 -9.886 1.00 0.00 H ATOM 925 N ASP A 262 -2.173 -9.661 -7.290 1.00 0.00 N ATOM 926 CA ASP A 262 -1.656 -8.925 -6.143 1.00 0.00 C ATOM 927 C ASP A 262 -0.190 -8.513 -6.329 1.00 0.00 C ATOM 928 O ASP A 262 0.461 -8.123 -5.356 1.00 0.00 O ATOM 929 CB ASP A 262 -1.841 -9.785 -4.884 1.00 0.00 C ATOM 930 CG ASP A 262 -3.317 -10.038 -4.597 1.00 0.00 C ATOM 931 OD1 ASP A 262 -3.924 -9.161 -3.945 1.00 0.00 O ATOM 932 OD2 ASP A 262 -3.813 -11.092 -5.050 1.00 0.00 O ATOM 933 HA ASP A 262 -2.217 -7.996 -6.040 1.00 0.00 H ATOM 934 HB2 ASP A 262 -1.338 -10.741 -5.030 1.00 0.00 H ATOM 935 HB3 ASP A 262 -1.397 -9.269 -4.033 1.00 0.00 H ATOM 936 H ASP A 262 -2.027 -10.690 -7.316 1.00 0.00 H ATOM 937 N HIS A 263 0.346 -8.613 -7.551 1.00 0.00 N ATOM 938 CA HIS A 263 1.731 -8.293 -7.857 1.00 0.00 C ATOM 939 C HIS A 263 1.787 -7.061 -8.764 1.00 0.00 C ATOM 940 O HIS A 263 1.732 -7.180 -9.993 1.00 0.00 O ATOM 941 CB HIS A 263 2.425 -9.532 -8.431 1.00 0.00 C ATOM 942 CG HIS A 263 3.870 -9.296 -8.778 1.00 0.00 C ATOM 943 ND1 HIS A 263 4.304 -8.365 -9.686 1.00 0.00 N ATOM 944 CD2 HIS A 263 4.931 -10.120 -8.502 1.00 0.00 C ATOM 945 CE1 HIS A 263 5.592 -8.607 -9.935 1.00 0.00 C ATOM 946 NE2 HIS A 263 6.017 -9.679 -9.255 1.00 0.00 N ATOM 947 HA HIS A 263 2.282 -8.026 -6.955 1.00 0.00 H ATOM 948 HB2 HIS A 263 2.372 -10.332 -7.693 1.00 0.00 H ATOM 949 HB3 HIS A 263 1.897 -9.838 -9.334 1.00 0.00 H ATOM 950 HD2 HIS A 263 4.926 -10.968 -7.817 1.00 0.00 H ATOM 951 HE1 HIS A 263 6.215 -8.012 -10.603 1.00 0.00 H ATOM 952 H HIS A 263 -0.264 -8.939 -8.328 1.00 0.00 H ATOM 953 N PHE A 264 1.921 -5.879 -8.153 1.00 0.00 N ATOM 954 CA PHE A 264 1.786 -4.603 -8.842 1.00 0.00 C ATOM 955 C PHE A 264 3.115 -3.992 -9.279 1.00 0.00 C ATOM 956 O PHE A 264 4.144 -4.186 -8.628 1.00 0.00 O ATOM 957 CB PHE A 264 1.044 -3.590 -7.967 1.00 0.00 C ATOM 958 CG PHE A 264 -0.283 -4.098 -7.454 1.00 0.00 C ATOM 959 CD1 PHE A 264 -1.386 -4.149 -8.325 1.00 0.00 C ATOM 960 CD2 PHE A 264 -0.390 -4.618 -6.151 1.00 0.00 C ATOM 961 CE1 PHE A 264 -2.586 -4.742 -7.905 1.00 0.00 C ATOM 962 CE2 PHE A 264 -1.596 -5.198 -5.727 1.00 0.00 C ATOM 963 CZ PHE A 264 -2.684 -5.284 -6.613 1.00 0.00 C ATOM 964 HA PHE A 264 1.217 -4.824 -9.745 1.00 0.00 H ATOM 965 HB2 PHE A 264 1.674 -3.345 -7.112 1.00 0.00 H ATOM 966 HB3 PHE A 264 0.866 -2.690 -8.556 1.00 0.00 H ATOM 967 HD2 PHE A 264 0.462 -4.571 -5.472 1.00 0.00 H ATOM 968 HE2 PHE A 264 -1.689 -5.582 -4.711 1.00 0.00 H ATOM 969 HZ PHE A 264 -3.606 -5.772 -6.297 1.00 0.00 H ATOM 970 HE1 PHE A 264 -3.441 -4.782 -8.580 1.00 0.00 H ATOM 971 HD1 PHE A 264 -1.308 -3.727 -9.327 1.00 0.00 H ATOM 972 H PHE A 264 2.132 -5.871 -7.135 1.00 0.00 H ATOM 973 N LYS A 265 3.045 -3.216 -10.366 1.00 0.00 N ATOM 974 CA LYS A 265 4.093 -2.336 -10.870 1.00 0.00 C ATOM 975 C LYS A 265 3.422 -1.016 -11.265 1.00 0.00 C ATOM 976 O LYS A 265 2.206 -0.988 -11.458 1.00 0.00 O ATOM 977 CB LYS A 265 4.839 -2.963 -12.062 1.00 0.00 C ATOM 978 CG LYS A 265 5.425 -4.321 -11.678 1.00 0.00 C ATOM 979 CD LYS A 265 6.499 -4.868 -12.631 1.00 0.00 C ATOM 980 CE LYS A 265 7.802 -4.058 -12.587 1.00 0.00 C ATOM 981 NZ LYS A 265 8.937 -4.838 -13.112 1.00 0.00 N ATOM 982 HA LYS A 265 4.846 -2.169 -10.100 1.00 0.00 H ATOM 983 HB2 LYS A 265 4.143 -3.094 -12.891 1.00 0.00 H ATOM 984 HB3 LYS A 265 5.646 -2.298 -12.369 1.00 0.00 H ATOM 985 HG2 LYS A 265 5.870 -4.228 -10.687 1.00 0.00 H ATOM 986 HG3 LYS A 265 4.608 -5.042 -11.642 1.00 0.00 H ATOM 987 HD2 LYS A 265 6.720 -5.899 -12.353 1.00 0.00 H ATOM 988 HD3 LYS A 265 6.108 -4.844 -13.648 1.00 0.00 H ATOM 989 HE2 LYS A 265 8.011 -3.778 -11.555 1.00 0.00 H ATOM 990 HE3 LYS A 265 7.681 -3.158 -13.189 1.00 0.00 H ATOM 991 HZ1 LYS A 265 9.061 -5.696 -12.538 1.00 0.00 H ATOM 992 HZ2 LYS A 265 8.746 -5.104 -14.099 1.00 0.00 H ATOM 993 HZ3 LYS A 265 9.802 -4.262 -13.068 1.00 0.00 H ATOM 994 H LYS A 265 2.156 -3.243 -10.905 1.00 0.00 H ATOM 995 N SER A 266 4.198 0.066 -11.386 1.00 0.00 N ATOM 996 CA SER A 266 3.712 1.355 -11.873 1.00 0.00 C ATOM 997 C SER A 266 3.855 1.362 -13.391 1.00 0.00 C ATOM 998 O SER A 266 4.866 0.882 -13.901 1.00 0.00 O ATOM 999 CB SER A 266 4.508 2.500 -11.240 1.00 0.00 C ATOM 1000 OG SER A 266 4.081 3.768 -11.715 1.00 0.00 O ATOM 1001 HA SER A 266 2.667 1.499 -11.598 1.00 0.00 H ATOM 1002 HB2 SER A 266 5.563 2.371 -11.480 1.00 0.00 H ATOM 1003 HB3 SER A 266 4.376 2.466 -10.159 1.00 0.00 H ATOM 1004 HG SER A 266 4.618 4.479 -11.283 1.00 0.00 H ATOM 1005 H SER A 266 5.200 -0.014 -11.120 1.00 0.00 H ATOM 1006 N THR A 267 2.853 1.869 -14.117 1.00 0.00 N ATOM 1007 CA THR A 267 2.948 1.951 -15.570 1.00 0.00 C ATOM 1008 C THR A 267 4.025 2.977 -15.932 1.00 0.00 C ATOM 1009 O THR A 267 4.982 2.657 -16.633 1.00 0.00 O ATOM 1010 CB THR A 267 1.563 2.182 -16.207 1.00 0.00 C ATOM 1011 OG1 THR A 267 1.603 1.844 -17.577 1.00 0.00 O ATOM 1012 CG2 THR A 267 1.006 3.602 -16.085 1.00 0.00 C ATOM 1013 HA THR A 267 3.271 1.003 -16.000 1.00 0.00 H ATOM 1014 HB THR A 267 0.892 1.539 -15.637 1.00 0.00 H ATOM 1015 HG1 THR A 267 0.711 1.995 -17.979 1.00 0.00 H ATOM 1016 HG23 THR A 267 0.966 3.886 -15.033 1.00 0.00 H ATOM 1017 HG21 THR A 267 1.654 4.293 -16.624 1.00 0.00 H ATOM 1018 HG22 THR A 267 0.003 3.635 -16.511 1.00 0.00 H ATOM 1019 H THR A 267 1.994 2.209 -13.639 1.00 0.00 H ATOM 1020 N ASP A 268 3.890 4.191 -15.391 1.00 0.00 N ATOM 1021 CA ASP A 268 4.857 5.279 -15.478 1.00 0.00 C ATOM 1022 C ASP A 268 4.328 6.438 -14.632 1.00 0.00 C ATOM 1023 O ASP A 268 4.124 7.540 -15.135 1.00 0.00 O ATOM 1024 CB ASP A 268 5.086 5.709 -16.941 1.00 0.00 C ATOM 1025 CG ASP A 268 6.124 6.824 -17.065 1.00 0.00 C ATOM 1026 OD1 ASP A 268 7.072 6.822 -16.249 1.00 0.00 O ATOM 1027 OD2 ASP A 268 5.962 7.648 -17.992 1.00 0.00 O ATOM 1028 HA ASP A 268 5.826 4.952 -15.100 1.00 0.00 H ATOM 1029 HB2 ASP A 268 5.430 4.845 -17.510 1.00 0.00 H ATOM 1030 HB3 ASP A 268 4.141 6.062 -17.354 1.00 0.00 H ATOM 1031 H ASP A 268 3.016 4.377 -14.859 1.00 0.00 H ATOM 1032 N ALA A 269 4.042 6.173 -13.353 1.00 0.00 N ATOM 1033 CA ALA A 269 3.480 7.161 -12.442 1.00 0.00 C ATOM 1034 C ALA A 269 4.353 7.239 -11.189 1.00 0.00 C ATOM 1035 O ALA A 269 4.670 6.210 -10.591 1.00 0.00 O ATOM 1036 CB ALA A 269 2.032 6.784 -12.126 1.00 0.00 C ATOM 1037 HA ALA A 269 3.469 8.152 -12.896 1.00 0.00 H ATOM 1038 HB1 ALA A 269 1.453 6.765 -13.049 1.00 0.00 H ATOM 1039 HB2 ALA A 269 2.008 5.799 -11.660 1.00 0.00 H ATOM 1040 HB3 ALA A 269 1.607 7.521 -11.444 1.00 0.00 H ATOM 1041 H ALA A 269 4.230 5.216 -12.991 1.00 0.00 H ATOM 1042 N GLU A 270 4.765 8.457 -10.821 1.00 0.00 N ATOM 1043 CA GLU A 270 5.668 8.709 -9.707 1.00 0.00 C ATOM 1044 C GLU A 270 4.943 8.516 -8.374 1.00 0.00 C ATOM 1045 O GLU A 270 3.980 9.276 -8.131 1.00 0.00 O ATOM 1046 CB GLU A 270 6.255 10.126 -9.813 1.00 0.00 C ATOM 1047 CG GLU A 270 6.952 10.397 -11.156 1.00 0.00 C ATOM 1048 CD GLU A 270 8.038 9.373 -11.471 1.00 0.00 C ATOM 1049 OE1 GLU A 270 8.924 9.194 -10.608 1.00 0.00 O ATOM 1050 OE2 GLU A 270 7.956 8.776 -12.566 1.00 0.00 O ATOM 1051 HA GLU A 270 6.488 7.992 -9.750 1.00 0.00 H ATOM 1052 OXT GLU A 270 5.378 7.626 -7.614 1.00 0.00 O ATOM 1053 HB2 GLU A 270 5.446 10.846 -9.692 1.00 0.00 H ATOM 1054 HB3 GLU A 270 6.982 10.260 -9.012 1.00 0.00 H ATOM 1055 HG2 GLU A 270 6.205 10.369 -11.949 1.00 0.00 H ATOM 1056 HG3 GLU A 270 7.406 11.388 -11.121 1.00 0.00 H ATOM 1057 H GLU A 270 4.419 9.274 -11.364 1.00 0.00 H TER 1058 GLU A 270 HETATM 1059 N ARG A 1 -7.843 -13.014 -16.867 1.00 0.24 N HETATM 1060 CA ARG A 1 -7.687 -11.980 -15.826 1.00 0.07 C HETATM 1061 C ARG A 1 -6.601 -10.982 -16.238 1.00 0.23 C HETATM 1062 O ARG A 1 -6.906 -9.878 -16.687 1.00 -0.39 O HETATM 1063 N ARG A 1 -5.334 -11.387 -16.132 1.00 -0.26 N HETATM 1064 CA ARG A 1 -4.219 -10.622 -16.666 1.00 0.13 C HETATM 1065 C ARG A 1 -4.292 -10.689 -18.192 1.00 0.20 C HETATM 1066 O ARG A 1 -4.397 -11.774 -18.759 1.00 -0.39 O HETATM 1067 N ARG A 1 -4.241 -9.531 -18.848 1.00 -0.26 N HETATM 1068 CA ARG A 1 -4.108 -9.409 -20.289 1.00 0.13 C HETATM 1069 C ARG A 1 -3.326 -8.121 -20.583 1.00 0.20 C HETATM 1070 O ARG A 1 -2.186 -7.998 -20.137 1.00 -0.39 O HETATM 1071 N ARG A 1 -3.900 -7.136 -21.278 1.00 -0.26 N HETATM 1072 CA ARG A 1 -3.189 -5.924 -21.677 1.00 0.13 C HETATM 1073 C ARG A 1 -3.162 -4.904 -20.530 1.00 0.20 C HETATM 1074 O ARG A 1 -3.465 -3.727 -20.713 1.00 -0.39 O HETATM 1075 N ARG A 1 -2.771 -5.357 -19.336 1.00 -0.26 N HETATM 1076 CA ARG A 1 -2.883 -4.603 -18.091 1.00 0.15 C HETATM 1077 C ARG A 1 -2.191 -3.242 -18.186 1.00 0.21 C HETATM 1078 O ARG A 1 -2.774 -2.217 -17.831 1.00 -0.39 O HETATM 1079 N ARG A 1 -0.951 -3.219 -18.682 1.00 -0.26 N HETATM 1080 CA ARG A 1 -0.221 -1.970 -18.843 1.00 0.13 C HETATM 1081 C ARG A 1 -0.984 -1.018 -19.769 1.00 0.20 C HETATM 1082 O ARG A 1 -1.137 0.161 -19.456 1.00 -0.39 O HETATM 1083 N ARG A 1 -1.463 -1.524 -20.909 1.00 -0.26 N HETATM 1084 CA ARG A 1 -2.196 -0.714 -21.871 1.00 0.13 C HETATM 1085 C ARG A 1 -3.465 -0.160 -21.230 1.00 0.20 C HETATM 1086 O ARG A 1 -3.766 1.020 -21.382 1.00 -0.39 O HETATM 1087 N ARG A 1 -4.196 -0.999 -20.490 1.00 -0.26 N HETATM 1088 CA ARG A 1 -5.364 -0.563 -19.739 1.00 0.13 C HETATM 1089 C ARG A 1 -4.990 0.589 -18.802 1.00 0.20 C HETATM 1090 O ARG A 1 -5.653 1.623 -18.801 1.00 -0.39 O HETATM 1091 N ARG A 1 -3.912 0.435 -18.028 1.00 -0.26 N HETATM 1092 CA ARG A 1 -3.444 1.498 -17.148 1.00 0.13 C HETATM 1093 C ARG A 1 -3.134 2.779 -17.929 1.00 0.20 C HETATM 1094 O ARG A 1 -3.619 3.850 -17.572 1.00 -0.39 O HETATM 1095 N ARG A 1 -2.350 2.681 -19.007 1.00 -0.26 N HETATM 1096 CA ARG A 1 -2.054 3.836 -19.849 1.00 0.13 C HETATM 1097 C ARG A 1 -3.345 4.491 -20.348 1.00 0.20 C HETATM 1098 O ARG A 1 -3.473 5.711 -20.301 1.00 -0.39 O HETATM 1099 N ARG A 1 -4.311 3.695 -20.812 1.00 -0.26 N HETATM 1100 CA ARG A 1 -5.591 4.199 -21.286 1.00 0.13 C HETATM 1101 C ARG A 1 -6.312 4.954 -20.167 1.00 0.20 C HETATM 1102 O ARG A 1 -6.717 6.096 -20.364 1.00 -0.39 O HETATM 1103 N ARG A 1 -6.459 4.336 -18.991 1.00 -0.26 N HETATM 1104 CA ARG A 1 -7.064 4.973 -17.824 1.00 0.13 C HETATM 1105 C ARG A 1 -6.377 6.305 -17.510 1.00 0.20 C HETATM 1106 O ARG A 1 -7.043 7.312 -17.276 1.00 -0.39 O HETATM 1107 N ARG A 1 -5.043 6.304 -17.477 1.00 -0.26 N HETATM 1108 CA ARG A 1 -4.257 7.493 -17.186 1.00 0.13 C HETATM 1109 C ARG A 1 -4.530 8.579 -18.232 1.00 0.20 C HETATM 1110 O ARG A 1 -4.788 9.730 -17.888 1.00 -0.39 O HETATM 1111 N ARG A 1 -4.460 8.211 -19.513 1.00 -0.26 N HETATM 1112 CA ARG A 1 -4.629 9.128 -20.630 1.00 0.13 C HETATM 1113 C ARG A 1 -6.046 9.702 -20.681 1.00 0.20 C HETATM 1114 O ARG A 1 -6.223 10.889 -20.943 1.00 -0.39 O HETATM 1115 N ARG A 1 -7.062 8.864 -20.457 1.00 -0.26 N HETATM 1116 CA ARG A 1 -8.468 9.231 -20.581 1.00 0.13 C HETATM 1117 C ARG A 1 -8.946 10.041 -19.370 1.00 0.20 C HETATM 1118 O ARG A 1 -9.941 9.693 -18.737 1.00 -0.39 O HETATM 1119 N ARG A 1 -8.248 11.136 -19.064 1.00 -0.27 N HETATM 1120 CA ARG A 1 -8.542 12.055 -17.975 1.00 0.09 C HETATM 1121 C ARG A 1 -8.197 13.476 -18.423 1.00 0.06 C HETATM 1122 O ARG A 1 -7.249 13.609 -19.228 1.00 -0.57 O HETATM 1123 OXT ARG A 1 -8.885 14.406 -17.948 1.00 -0.57 O HETATM 1124 CB ARG A 1 -7.730 11.671 -16.731 1.00 -0.01 C HETATM 1125 CG ARG A 1 -8.329 10.458 -16.007 1.00 -0.02 C HETATM 1126 CD ARG A 1 -7.490 10.103 -14.776 1.00 0.06 C HETATM 1127 NE ARG A 1 -8.284 9.381 -13.774 1.00 -0.27 N HETATM 1128 CZ ARG A 1 -8.547 8.068 -13.776 1.00 0.29 C HETATM 1129 NH1 ARG A 1 -8.164 7.268 -14.776 1.00 -0.28 N HETATM 1130 H147 ARG A 1 -8.384 6.262 -14.744 1.00 0.26 H HETATM 1131 H148 ARG A 1 -7.649 7.657 -15.579 1.00 0.26 H HETATM 1132 NH2 ARG A 1 -9.170 7.519 -12.731 1.00 -0.28 N HETATM 1133 H149 ARG A 1 -9.477 8.110 -11.945 1.00 0.26 H HETATM 1134 H150 ARG A 1 -9.344 6.504 -12.710 1.00 0.26 H HETATM 1135 H146 ARG A 1 -8.675 9.935 -12.998 1.00 0.26 H HETATM 1136 H144 ARG A 1 -7.105 11.030 -14.326 1.00 0.07 H HETATM 1137 H145 ARG A 1 -6.647 9.469 -15.088 1.00 0.07 H HETATM 1138 H142 ARG A 1 -8.347 9.599 -16.693 1.00 0.03 H HETATM 1139 H143 ARG A 1 -9.355 10.695 -15.690 1.00 0.03 H HETATM 1140 H140 ARG A 1 -7.715 12.526 -16.039 1.00 0.03 H HETATM 1141 H141 ARG A 1 -6.702 11.429 -17.038 1.00 0.03 H HETATM 1142 H139 ARG A 1 -9.614 12.002 -17.733 1.00 0.07 H HETATM 1143 H138 ARG A 1 -7.452 11.344 -19.633 1.00 0.19 H HETATM 1144 CB ARG A 1 -9.299 7.959 -20.781 1.00 -0.02 C HETATM 1145 H135 ARG A 1 -10.362 8.226 -20.876 1.00 0.03 H HETATM 1146 H136 ARG A 1 -9.164 7.293 -19.916 1.00 0.03 H HETATM 1147 H137 ARG A 1 -8.968 7.444 -21.695 1.00 0.03 H HETATM 1148 H134 ARG A 1 -8.584 9.862 -21.474 1.00 0.08 H HETATM 1149 H133 ARG A 1 -6.845 7.926 -20.187 1.00 0.19 H HETATM 1150 CB ARG A 1 -4.291 8.405 -21.936 1.00 -0.02 C HETATM 1151 H130 ARG A 1 -4.418 9.097 -22.782 1.00 0.03 H HETATM 1152 H131 ARG A 1 -4.963 7.543 -22.063 1.00 0.03 H HETATM 1153 H132 ARG A 1 -3.249 8.055 -21.902 1.00 0.03 H HETATM 1154 H129 ARG A 1 -3.926 9.964 -20.501 1.00 0.08 H HETATM 1155 H128 ARG A 1 -4.281 7.249 -19.717 1.00 0.19 H HETATM 1156 CB ARG A 1 -2.773 7.099 -17.129 1.00 -0.01 C HETATM 1157 CG ARG A 1 -1.809 8.266 -16.861 1.00 -0.04 C HETATM 1158 CD1 ARG A 1 -2.137 8.979 -15.546 1.00 -0.06 C HETATM 1159 H122 ARG A 1 -1.428 9.805 -15.390 1.00 0.02 H HETATM 1160 H123 ARG A 1 -2.058 8.266 -14.712 1.00 0.02 H HETATM 1161 H124 ARG A 1 -3.161 9.379 -15.591 1.00 0.02 H HETATM 1162 CD2 ARG A 1 -0.379 7.716 -16.797 1.00 -0.06 C HETATM 1163 H125 ARG A 1 -0.141 7.203 -17.741 1.00 0.02 H HETATM 1164 H126 ARG A 1 -0.297 7.004 -15.962 1.00 0.02 H HETATM 1165 H127 ARG A 1 0.326 8.546 -16.642 1.00 0.02 H HETATM 1166 H121 ARG A 1 -1.886 8.990 -17.686 1.00 0.03 H HETATM 1167 H119 ARG A 1 -2.502 6.645 -18.093 1.00 0.03 H HETATM 1168 H120 ARG A 1 -2.646 6.358 -16.326 1.00 0.03 H HETATM 1169 H118 ARG A 1 -4.553 7.883 -16.201 1.00 0.08 H HETATM 1170 H117 ARG A 1 -4.562 5.447 -17.661 1.00 0.19 H HETATM 1171 CB ARG A 1 -6.964 4.048 -16.607 1.00 -0.01 C HETATM 1172 CG ARG A 1 -7.921 2.853 -16.665 1.00 -0.02 C HETATM 1173 CD ARG A 1 -7.626 1.961 -15.456 1.00 0.06 C HETATM 1174 NE ARG A 1 -8.461 0.755 -15.429 1.00 -0.27 N HETATM 1175 CZ ARG A 1 -8.333 -0.204 -14.498 1.00 0.29 C HETATM 1176 NH1 ARG A 1 -7.423 -0.066 -13.529 1.00 -0.28 N HETATM 1177 H113 ARG A 1 -7.319 -0.798 -12.812 1.00 0.26 H HETATM 1178 H114 ARG A 1 -6.825 0.772 -13.499 1.00 0.26 H HETATM 1179 NH2 ARG A 1 -9.112 -1.288 -14.542 1.00 -0.28 N HETATM 1180 H115 ARG A 1 -9.812 -1.389 -15.291 1.00 0.26 H HETATM 1181 H116 ARG A 1 -9.013 -2.023 -13.827 1.00 0.26 H HETATM 1182 H112 ARG A 1 -9.179 0.638 -16.158 1.00 0.26 H HETATM 1183 H110 ARG A 1 -7.811 2.538 -14.538 1.00 0.07 H HETATM 1184 H111 ARG A 1 -6.569 1.657 -15.491 1.00 0.07 H HETATM 1185 H108 ARG A 1 -7.760 2.288 -17.595 1.00 0.03 H HETATM 1186 H109 ARG A 1 -8.963 3.205 -16.626 1.00 0.03 H HETATM 1187 H106 ARG A 1 -7.194 4.634 -15.705 1.00 0.03 H HETATM 1188 H107 ARG A 1 -5.934 3.666 -16.544 1.00 0.03 H HETATM 1189 H105 ARG A 1 -8.126 5.165 -18.040 1.00 0.08 H HETATM 1190 H104 ARG A 1 -6.139 3.392 -18.906 1.00 0.19 H HETATM 1191 CB ARG A 1 -6.430 3.043 -21.852 1.00 -0.01 C HETATM 1192 CG ARG A 1 -7.816 3.470 -22.365 1.00 -0.04 C HETATM 1193 CD1 ARG A 1 -7.724 4.507 -23.491 1.00 -0.06 C HETATM 1194 H98 ARG A 1 -8.737 4.779 -23.823 1.00 0.02 H HETATM 1195 H99 ARG A 1 -7.163 4.082 -24.337 1.00 0.02 H HETATM 1196 H100 ARG A 1 -7.206 5.404 -23.122 1.00 0.02 H HETATM 1197 CD2 ARG A 1 -8.559 2.231 -22.878 1.00 -0.06 C HETATM 1198 H101 ARG A 1 -8.627 1.485 -22.073 1.00 0.02 H HETATM 1199 H102 ARG A 1 -8.012 1.802 -23.730 1.00 0.02 H HETATM 1200 H103 ARG A 1 -9.571 2.517 -23.199 1.00 0.02 H HETATM 1201 H97 ARG A 1 -8.380 3.910 -21.529 1.00 0.03 H HETATM 1202 H95 ARG A 1 -6.570 2.296 -21.057 1.00 0.03 H HETATM 1203 H96 ARG A 1 -5.876 2.590 -22.688 1.00 0.03 H HETATM 1204 H94 ARG A 1 -5.401 4.910 -22.103 1.00 0.08 H HETATM 1205 H93 ARG A 1 -4.148 2.709 -20.835 1.00 0.19 H HETATM 1206 CB ARG A 1 -1.152 3.446 -21.031 1.00 -0.01 C HETATM 1207 CG ARG A 1 0.268 3.013 -20.629 1.00 -0.04 C HETATM 1208 CD1 ARG A 1 1.004 2.491 -21.868 1.00 -0.06 C HETATM 1209 H87 ARG A 1 2.021 2.180 -21.586 1.00 0.02 H HETATM 1210 H88 ARG A 1 1.061 3.288 -22.624 1.00 0.02 H HETATM 1211 H89 ARG A 1 0.459 1.631 -22.283 1.00 0.02 H HETATM 1212 CD2 ARG A 1 1.080 4.160 -20.013 1.00 -0.06 C HETATM 1213 H90 ARG A 1 0.559 4.541 -19.122 1.00 0.02 H HETATM 1214 H91 ARG A 1 1.188 4.970 -20.750 1.00 0.02 H HETATM 1215 H92 ARG A 1 2.076 3.791 -19.725 1.00 0.02 H HETATM 1216 H86 ARG A 1 0.189 2.204 -19.888 1.00 0.03 H HETATM 1217 H84 ARG A 1 -1.070 4.313 -21.703 1.00 0.03 H HETATM 1218 H85 ARG A 1 -1.628 2.611 -21.566 1.00 0.03 H HETATM 1219 H83 ARG A 1 -1.512 4.572 -19.237 1.00 0.08 H HETATM 1220 H82 ARG A 1 -1.956 1.793 -19.243 1.00 0.19 H HETATM 1221 CB ARG A 1 -2.244 1.024 -16.330 1.00 -0.02 C HETATM 1222 H79 ARG A 1 -1.904 1.838 -15.672 1.00 0.03 H HETATM 1223 H80 ARG A 1 -1.428 0.737 -17.009 1.00 0.03 H HETATM 1224 H81 ARG A 1 -2.536 0.157 -15.720 1.00 0.03 H HETATM 1225 H78 ARG A 1 -4.256 1.731 -16.444 1.00 0.08 H HETATM 1226 H77 ARG A 1 -3.414 -0.432 -18.053 1.00 0.19 H HETATM 1227 CB ARG A 1 -5.980 -1.741 -18.978 1.00 -0.02 C HETATM 1228 H74 ARG A 1 -6.860 -1.395 -18.417 1.00 0.03 H HETATM 1229 H75 ARG A 1 -5.238 -2.154 -18.279 1.00 0.03 H HETATM 1230 H76 ARG A 1 -6.284 -2.520 -19.692 1.00 0.03 H HETATM 1231 H73 ARG A 1 -6.114 -0.191 -20.453 1.00 0.08 H HETATM 1232 H72 ARG A 1 -3.931 -1.962 -20.451 1.00 0.19 H HETATM 1233 CB ARG A 1 -2.521 -1.524 -23.126 1.00 -0.02 C HETATM 1234 H69 ARG A 1 -3.074 -0.892 -23.837 1.00 0.03 H HETATM 1235 H70 ARG A 1 -3.137 -2.393 -22.852 1.00 0.03 H HETATM 1236 H71 ARG A 1 -1.586 -1.869 -23.592 1.00 0.03 H HETATM 1237 H68 ARG A 1 -1.560 0.134 -22.166 1.00 0.08 H HETATM 1238 H67 ARG A 1 -1.313 -2.492 -21.108 1.00 0.19 H HETATM 1239 CB ARG A 1 1.199 -2.236 -19.362 1.00 -0.01 C HETATM 1240 CG ARG A 1 2.015 -0.939 -19.326 1.00 -0.04 C HETATM 1241 CD ARG A 1 3.489 -1.187 -19.656 1.00 -0.01 C HETATM 1242 CE ARG A 1 4.215 0.130 -19.957 1.00 -0.04 C HETATM 1243 NZ ARG A 1 4.108 1.089 -18.844 1.00 0.22 N HETATM 1244 H64 ARG A 1 4.597 1.937 -19.083 1.00 0.20 H HETATM 1245 H65 ARG A 1 4.517 0.688 -18.014 1.00 0.20 H HETATM 1246 H66 ARG A 1 3.137 1.298 -18.673 1.00 0.20 H HETATM 1247 H62 ARG A 1 3.773 0.581 -20.858 1.00 0.08 H HETATM 1248 H63 ARG A 1 5.278 -0.085 -20.139 1.00 0.08 H HETATM 1249 H60 ARG A 1 3.555 -1.843 -20.536 1.00 0.03 H HETATM 1250 H61 ARG A 1 3.972 -1.676 -18.797 1.00 0.03 H HETATM 1251 H58 ARG A 1 1.944 -0.501 -18.319 1.00 0.03 H HETATM 1252 H59 ARG A 1 1.599 -0.235 -20.062 1.00 0.03 H HETATM 1253 H56 ARG A 1 1.147 -2.606 -20.396 1.00 0.03 H HETATM 1254 H57 ARG A 1 1.685 -2.991 -18.727 1.00 0.03 H HETATM 1255 H55 ARG A 1 -0.138 -1.491 -17.856 1.00 0.08 H HETATM 1256 H54 ARG A 1 -0.515 -4.078 -18.948 1.00 0.19 H HETATM 1257 CB ARG A 1 -2.337 -5.426 -16.915 1.00 0.08 C HETATM 1258 CG ARG A 1 -3.180 -6.654 -16.577 1.00 0.18 C HETATM 1259 OD1 ARG A 1 -3.974 -7.124 -17.386 1.00 -0.40 O HETATM 1260 ND2 ARG A 1 -3.016 -7.193 -15.376 1.00 -0.30 N HETATM 1261 H52 ARG A 1 -3.547 -7.998 -15.113 1.00 0.18 H HETATM 1262 H53 ARG A 1 -2.361 -6.794 -14.734 1.00 0.18 H HETATM 1263 H50 ARG A 1 -2.297 -4.778 -16.027 1.00 0.06 H HETATM 1264 H51 ARG A 1 -1.321 -5.762 -17.169 1.00 0.06 H HETATM 1265 H49 ARG A 1 -3.952 -4.419 -17.906 1.00 0.08 H HETATM 1266 H48 ARG A 1 -2.375 -6.274 -19.292 1.00 0.19 H HETATM 1267 CB ARG A 1 -3.784 -5.380 -22.987 1.00 -0.01 C HETATM 1268 CG ARG A 1 -5.280 -5.033 -22.912 1.00 -0.02 C HETATM 1269 CD ARG A 1 -5.733 -4.341 -24.203 1.00 0.06 C HETATM 1270 NE ARG A 1 -7.152 -3.963 -24.137 1.00 -0.27 N HETATM 1271 CZ ARG A 1 -8.189 -4.794 -24.319 1.00 0.29 C HETATM 1272 NH1 ARG A 1 -7.985 -6.091 -24.573 1.00 -0.28 N HETATM 1273 H44 ARG A 1 -8.788 -6.721 -24.711 1.00 0.26 H HETATM 1274 H45 ARG A 1 -7.025 -6.460 -24.630 1.00 0.26 H HETATM 1275 NH2 ARG A 1 -9.436 -4.316 -24.245 1.00 -0.28 N HETATM 1276 H46 ARG A 1 -9.594 -3.317 -24.049 1.00 0.26 H HETATM 1277 H47 ARG A 1 -10.238 -4.947 -24.384 1.00 0.26 H HETATM 1278 H43 ARG A 1 -7.368 -2.977 -23.934 1.00 0.26 H HETATM 1279 H41 ARG A 1 -5.584 -5.028 -25.049 1.00 0.07 H HETATM 1280 H42 ARG A 1 -5.128 -3.435 -24.355 1.00 0.07 H HETATM 1281 H39 ARG A 1 -5.454 -4.360 -22.060 1.00 0.03 H HETATM 1282 H40 ARG A 1 -5.860 -5.957 -22.773 1.00 0.03 H HETATM 1283 H37 ARG A 1 -3.647 -6.141 -23.769 1.00 0.03 H HETATM 1284 H38 ARG A 1 -3.233 -4.468 -23.262 1.00 0.03 H HETATM 1285 H36 ARG A 1 -2.145 -6.200 -21.885 1.00 0.08 H HETATM 1286 H35 ARG A 1 -4.861 -7.232 -21.537 1.00 0.19 H HETATM 1287 CB ARG A 1 -5.467 -9.586 -21.006 1.00 0.00 C HETATM 1288 CG ARG A 1 -6.715 -9.206 -20.190 1.00 0.04 C HETATM 1289 CD ARG A 1 -6.669 -7.779 -19.661 1.00 0.17 C HETATM 1290 OE1 ARG A 1 -6.499 -6.841 -20.433 1.00 -0.40 O HETATM 1291 NE2 ARG A 1 -6.791 -7.599 -18.351 1.00 -0.30 N HETATM 1292 H33 ARG A 1 -6.765 -6.675 -17.969 1.00 0.18 H HETATM 1293 H34 ARG A 1 -6.909 -8.387 -17.747 1.00 0.18 H HETATM 1294 H31 ARG A 1 -6.798 -9.894 -19.336 1.00 0.05 H HETATM 1295 H32 ARG A 1 -7.601 -9.313 -20.834 1.00 0.05 H HETATM 1296 H29 ARG A 1 -5.561 -10.644 -21.292 1.00 0.03 H HETATM 1297 H30 ARG A 1 -5.454 -8.961 -21.911 1.00 0.03 H HETATM 1298 H28 ARG A 1 -3.478 -10.242 -20.635 1.00 0.08 H HETATM 1299 H27 ARG A 1 -4.298 -8.689 -18.312 1.00 0.19 H HETATM 1300 CB ARG A 1 -2.894 -11.192 -16.125 1.00 -0.00 C HETATM 1301 CG1 ARG A 1 -2.757 -10.914 -14.616 1.00 -0.05 C HETATM 1302 CD1 ARG A 1 -2.054 -12.071 -13.903 1.00 -0.06 C HETATM 1303 H24 ARG A 1 -1.971 -11.844 -12.830 1.00 0.02 H HETATM 1304 H25 ARG A 1 -1.048 -12.207 -14.328 1.00 0.02 H HETATM 1305 H26 ARG A 1 -2.637 -12.994 -14.039 1.00 0.02 H HETATM 1306 H19 ARG A 1 -3.759 -10.781 -14.183 1.00 0.03 H HETATM 1307 H20 ARG A 1 -2.171 -9.994 -14.472 1.00 0.03 H HETATM 1308 CG2 ARG A 1 -1.676 -10.602 -16.854 1.00 -0.06 C HETATM 1309 H21 ARG A 1 -1.765 -10.796 -17.933 1.00 0.02 H HETATM 1310 H22 ARG A 1 -0.757 -11.071 -16.472 1.00 0.02 H HETATM 1311 H23 ARG A 1 -1.634 -9.517 -16.679 1.00 0.02 H HETATM 1312 H18 ARG A 1 -2.901 -12.280 -16.283 1.00 0.03 H HETATM 1313 H17 ARG A 1 -4.307 -9.573 -16.348 1.00 0.08 H HETATM 1314 H16 ARG A 1 -5.144 -12.251 -15.667 1.00 0.19 H HETATM 1315 CB ARG A 1 -7.413 -12.593 -14.443 1.00 0.01 C HETATM 1316 CG ARG A 1 -8.540 -13.536 -13.998 1.00 -0.01 C HETATM 1317 CD ARG A 1 -8.297 -14.042 -12.571 1.00 0.06 C HETATM 1318 NE ARG A 1 -8.344 -12.947 -11.592 1.00 -0.27 N HETATM 1319 CZ ARG A 1 -9.456 -12.397 -11.084 1.00 0.29 C HETATM 1320 NH1 ARG A 1 -10.666 -12.839 -11.442 1.00 -0.28 N HETATM 1321 H12 ARG A 1 -11.511 -12.406 -11.043 1.00 0.26 H HETATM 1322 H13 ARG A 1 -10.753 -13.612 -12.117 1.00 0.26 H HETATM 1323 NH2 ARG A 1 -9.335 -11.391 -10.214 1.00 -0.28 N HETATM 1324 H14 ARG A 1 -8.400 -11.055 -9.942 1.00 0.26 H HETATM 1325 H15 ARG A 1 -10.177 -10.951 -9.815 1.00 0.26 H HETATM 1326 H11 ARG A 1 -7.443 -12.569 -11.267 1.00 0.26 H HETATM 1327 H9 ARG A 1 -7.307 -14.519 -12.525 1.00 0.07 H HETATM 1328 H10 ARG A 1 -9.072 -14.780 -12.318 1.00 0.07 H HETATM 1329 H7 ARG A 1 -8.582 -14.396 -14.683 1.00 0.03 H HETATM 1330 H8 ARG A 1 -9.497 -12.994 -14.030 1.00 0.03 H HETATM 1331 H5 ARG A 1 -7.318 -11.781 -13.707 1.00 0.03 H HETATM 1332 H6 ARG A 1 -6.472 -13.160 -14.486 1.00 0.03 H HETATM 1333 H4 ARG A 1 -8.637 -11.430 -15.757 1.00 0.11 H HETATM 1334 H1 ARG A 1 -8.559 -13.666 -16.588 1.00 0.20 H HETATM 1335 H2 ARG A 1 -6.971 -13.504 -16.987 1.00 0.20 H HETATM 1336 H3 ARG A 1 -8.106 -12.578 -17.737 1.00 0.20 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 1059 1060 1334 1335 1336 CONECT 1060 1059 1061 1315 1333 CONECT 1061 1060 1062 1063 CONECT 1062 1061 CONECT 1063 1061 1064 1314 CONECT 1064 1063 1065 1300 1313 CONECT 1065 1064 1066 1067 CONECT 1066 1065 CONECT 1067 1065 1068 1299 CONECT 1068 1067 1069 1287 1298 CONECT 1069 1068 1070 1071 CONECT 1070 1069 CONECT 1071 1069 1072 1286 CONECT 1072 1071 1073 1267 1285 CONECT 1073 1072 1074 1075 CONECT 1074 1073 CONECT 1075 1073 1076 1266 CONECT 1076 1075 1077 1257 1265 CONECT 1077 1076 1078 1079 CONECT 1078 1077 CONECT 1079 1077 1080 1256 CONECT 1080 1079 1081 1239 1255 CONECT 1081 1080 1082 1083 CONECT 1082 1081 CONECT 1083 1081 1084 1238 CONECT 1084 1083 1085 1233 1237 CONECT 1085 1084 1086 1087 CONECT 1086 1085 CONECT 1087 1085 1088 1232 CONECT 1088 1087 1089 1227 1231 CONECT 1089 1088 1090 1091 CONECT 1090 1089 CONECT 1091 1089 1092 1226 CONECT 1092 1091 1093 1221 1225 CONECT 1093 1092 1094 1095 CONECT 1094 1093 CONECT 1095 1093 1096 1220 CONECT 1096 1095 1097 1206 1219 CONECT 1097 1096 1098 1099 CONECT 1098 1097 CONECT 1099 1097 1100 1205 CONECT 1100 1099 1101 1191 1204 CONECT 1101 1100 1102 1103 CONECT 1102 1101 CONECT 1103 1101 1104 1190 CONECT 1104 1103 1105 1171 1189 CONECT 1105 1104 1106 1107 CONECT 1106 1105 CONECT 1107 1105 1108 1170 CONECT 1108 1107 1109 1156 1169 CONECT 1109 1108 1110 1111 CONECT 1110 1109 CONECT 1111 1109 1112 1155 CONECT 1112 1111 1113 1150 1154 CONECT 1113 1112 1114 1115 CONECT 1114 1113 CONECT 1115 1113 1116 1149 CONECT 1116 1115 1117 1144 1148 CONECT 1117 1116 1118 1119 CONECT 1118 1117 CONECT 1119 1117 1120 1143 CONECT 1120 1119 1121 1124 1142 CONECT 1121 1120 1122 1123 CONECT 1122 1121 CONECT 1123 1121 CONECT 1124 1120 1125 1140 1141 CONECT 1125 1124 1126 1138 1139 CONECT 1126 1125 1127 1136 1137 CONECT 1127 1126 1128 1135 CONECT 1128 1127 1129 1132 CONECT 1129 1128 1130 1131 CONECT 1130 1129 CONECT 1131 1129 CONECT 1132 1128 1133 1134 CONECT 1133 1132 CONECT 1134 1132 CONECT 1135 1127 CONECT 1136 1126 CONECT 1137 1126 CONECT 1138 1125 CONECT 1139 1125 CONECT 1140 1124 CONECT 1141 1124 CONECT 1142 1120 CONECT 1143 1119 CONECT 1144 1116 1145 1146 1147 CONECT 1145 1144 CONECT 1146 1144 CONECT 1147 1144 CONECT 1148 1116 CONECT 1149 1115 CONECT 1150 1112 1151 1152 1153 CONECT 1151 1150 CONECT 1152 1150 CONECT 1153 1150 CONECT 1154 1112 CONECT 1155 1111 CONECT 1156 1108 1157 1167 1168 CONECT 1157 1156 1158 1162 1166 CONECT 1158 1157 1159 1160 1161 CONECT 1159 1158 CONECT 1160 1158 CONECT 1161 1158 CONECT 1162 1157 1163 1164 1165 CONECT 1163 1162 CONECT 1164 1162 CONECT 1165 1162 CONECT 1166 1157 CONECT 1167 1156 CONECT 1168 1156 CONECT 1169 1108 CONECT 1170 1107 CONECT 1171 1104 1172 1187 1188 CONECT 1172 1171 1173 1185 1186 CONECT 1173 1172 1174 1183 1184 CONECT 1174 1173 1175 1182 CONECT 1175 1174 1176 1179 CONECT 1176 1175 1177 1178 CONECT 1177 1176 CONECT 1178 1176 CONECT 1179 1175 1180 1181 CONECT 1180 1179 CONECT 1181 1179 CONECT 1182 1174 CONECT 1183 1173 CONECT 1184 1173 CONECT 1185 1172 CONECT 1186 1172 CONECT 1187 1171 CONECT 1188 1171 CONECT 1189 1104 CONECT 1190 1103 CONECT 1191 1100 1192 1202 1203 CONECT 1192 1191 1193 1197 1201 CONECT 1193 1192 1194 1195 1196 CONECT 1194 1193 CONECT 1195 1193 CONECT 1196 1193 CONECT 1197 1192 1198 1199 1200 CONECT 1198 1197 CONECT 1199 1197 CONECT 1200 1197 CONECT 1201 1192 CONECT 1202 1191 CONECT 1203 1191 CONECT 1204 1100 CONECT 1205 1099 CONECT 1206 1096 1207 1217 1218 CONECT 1207 1206 1208 1212 1216 CONECT 1208 1207 1209 1210 1211 CONECT 1209 1208 CONECT 1210 1208 CONECT 1211 1208 CONECT 1212 1207 1213 1214 1215 CONECT 1213 1212 CONECT 1214 1212 CONECT 1215 1212 CONECT 1216 1207 CONECT 1217 1206 CONECT 1218 1206 CONECT 1219 1096 CONECT 1220 1095 CONECT 1221 1092 1222 1223 1224 CONECT 1222 1221 CONECT 1223 1221 CONECT 1224 1221 CONECT 1225 1092 CONECT 1226 1091 CONECT 1227 1088 1228 1229 1230 CONECT 1228 1227 CONECT 1229 1227 CONECT 1230 1227 CONECT 1231 1088 CONECT 1232 1087 CONECT 1233 1084 1234 1235 1236 CONECT 1234 1233 CONECT 1235 1233 CONECT 1236 1233 CONECT 1237 1084 CONECT 1238 1083 CONECT 1239 1080 1240 1253 1254 CONECT 1240 1239 1241 1251 1252 CONECT 1241 1240 1242 1249 1250 CONECT 1242 1241 1243 1247 1248 CONECT 1243 1242 1244 1245 1246 CONECT 1244 1243 CONECT 1245 1243 CONECT 1246 1243 CONECT 1247 1242 CONECT 1248 1242 CONECT 1249 1241 CONECT 1250 1241 CONECT 1251 1240 CONECT 1252 1240 CONECT 1253 1239 CONECT 1254 1239 CONECT 1255 1080 CONECT 1256 1079 CONECT 1257 1076 1258 1263 1264 CONECT 1258 1257 1259 1260 CONECT 1259 1258 CONECT 1260 1258 1261 1262 CONECT 1261 1260 CONECT 1262 1260 CONECT 1263 1257 CONECT 1264 1257 CONECT 1265 1076 CONECT 1266 1075 CONECT 1267 1072 1268 1283 1284 CONECT 1268 1267 1269 1281 1282 CONECT 1269 1268 1270 1279 1280 CONECT 1270 1269 1271 1278 CONECT 1271 1270 1272 1275 CONECT 1272 1271 1273 1274 CONECT 1273 1272 CONECT 1274 1272 CONECT 1275 1271 1276 1277 CONECT 1276 1275 CONECT 1277 1275 CONECT 1278 1270 CONECT 1279 1269 CONECT 1280 1269 CONECT 1281 1268 CONECT 1282 1268 CONECT 1283 1267 CONECT 1284 1267 CONECT 1285 1072 CONECT 1286 1071 CONECT 1287 1068 1288 1296 1297 CONECT 1288 1287 1289 1294 1295 CONECT 1289 1288 1290 1291 CONECT 1290 1289 CONECT 1291 1289 1292 1293 CONECT 1292 1291 CONECT 1293 1291 CONECT 1294 1288 CONECT 1295 1288 CONECT 1296 1287 CONECT 1297 1287 CONECT 1298 1068 CONECT 1299 1067 CONECT 1300 1064 1301 1308 1312 CONECT 1301 1300 1302 1306 1307 CONECT 1302 1301 1303 1304 1305 CONECT 1303 1302 CONECT 1304 1302 CONECT 1305 1302 CONECT 1306 1301 CONECT 1307 1301 CONECT 1308 1300 1309 1310 1311 CONECT 1309 1308 CONECT 1310 1308 CONECT 1311 1308 CONECT 1312 1300 CONECT 1313 1064 CONECT 1314 1063 CONECT 1315 1060 1316 1331 1332 CONECT 1316 1315 1317 1329 1330 CONECT 1317 1316 1318 1327 1328 CONECT 1318 1317 1319 1326 CONECT 1319 1318 1320 1323 CONECT 1320 1319 1321 1322 CONECT 1321 1320 CONECT 1322 1320 CONECT 1323 1319 1324 1325 CONECT 1324 1323 CONECT 1325 1323 CONECT 1326 1318 CONECT 1327 1317 CONECT 1328 1317 CONECT 1329 1316 CONECT 1330 1316 CONECT 1331 1315 CONECT 1332 1315 CONECT 1333 1060 CONECT 1334 1059 CONECT 1335 1059 CONECT 1336 1059 MASTER 0 0 0 0 0 0 0 0 1335 1 282 6 END
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Entry Information
PDB ID
1dpu
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
RPA32(C-terminal domain of Replication protein A,172-270)
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=1uM
Release Year
2000
Protein/NA Sequence
Check fasta file
Primary Reference
(2000) Cell(Cambridge,Mass.) Vol. 103: pp. 449-456
Ligand Properties
Formula
C
7
8
H
1
5
1
N
3
1
O
1
9
Molecular Weight
1827.230
Exact Mass
1826.180
No. of atoms
279
No. of bonds
278
Polar Surface Area
879.3
LOGP Value
0.08 (
Computed with XLOGP3
)
-5.81 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 19
No. of Hydrogen Bond Acceptors: 19
No. of Rotatable Bonds: 78
No. of Nitrogen and Oxygen Atoms: 50
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC[NH+]=C(N)N)C)C)CC(C)C)CCC[NH+]=C(N)N)CC(C)C)CC(C)C)C)C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](CCC[NH+]=C(N)N)[NH3+])CCC(=O)N)CCC[NH+]=C(N)N)CC(=O)N
InChI String
InChI=1S/C78H145N31O19/c1-14-40(8)58(109-64(117)46(80)21-17-29-91-75(83)84)73(126)103-50(26-27-56(81)110)68(121)100-48(23-18-30-92-76(85)86)67(120)108-55(36-57(82)111)72(125)101-47(22-15-16-28-79)65(118)98-42(10)60(113)95-41(9)59(112)97-45(13)63(116)105-53(34-38(4)5)71(124)107-54(35-39(6)7)70(123)102-49(24-19-31-93-77(87)88)66(119)106-52(33-37(2)3)69(122)99-43(11)61(114)96-44(12)62(115)104-51(74(127)128)25-20-32-94-78(89)90/h37-55,58H,14-36,79-80H2,1-13H3,(H2,81,110)(H2,82,111)(H,95,113)(H,96,114)(H,97,112)(H,98,118)(H,99,122)(H,100,121)(H,101,125)(H,102,123)(H,103,126)(H,104,115)(H,105,116)(H,106,119)(H,107,124)(H,108,120)(H,109,117)(H,127,128)(H4,83,84,91)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/p+6/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1
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UniProtKB AC
UniProt accession number (AC):
P15927
P13051
Entrez Gene ID
NCBI Entrez Gene ID:
6118
7374
ASD
Information of known allosteric effects of PDB entries
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