Browse entries in the PDBbind-CN Database
HEADER 2M3M_COMPLEX COMPND 2M3M_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 94 MET GLU ILE LYS LEU ILE LYS GLY PRO LYS GLY LEU GLY SEQRES 2 A 94 PHE SER ILE ALA GLY GLY VAL GLY ASN GLN HIS ILE PRO SEQRES 3 A 94 GLY ASP ASN SER ILE TYR VAL THR LYS ILE ILE GLU GLY SEQRES 4 A 94 GLY ALA ALA HIS LYS ASP GLY LYS LEU GLN ILE GLY ASP SEQRES 5 A 94 LYS LEU LEU ALA VAL ASN ASN VAL CYS LEU GLU GLU VAL SEQRES 6 A 94 THR HIS GLU GLU ALA VAL THR ALA LEU LYS ASN THR SER SEQRES 7 A 94 ASP PHE VAL TYR LEU LYS VAL ALA LYS PRO THR GLY SER SEQRES 8 A 94 HIS HIS HIS HET PCA A 95 197 ATOM 1 N MET A 318 0.686 -0.924 0.066 1.00 63.31 N ATOM 2 CA MET A 318 1.519 -0.085 -0.768 1.00 50.40 C ATOM 3 C MET A 318 2.833 -0.785 -0.863 1.00 24.24 C ATOM 4 O MET A 318 3.417 -1.133 0.138 1.00 52.23 O ATOM 5 CB MET A 318 1.658 1.315 -0.150 1.00 73.25 C ATOM 6 CG MET A 318 2.580 2.266 -0.900 1.00 54.41 C ATOM 7 SD MET A 318 2.657 3.882 -0.109 1.00 65.14 S ATOM 8 CE MET A 318 3.919 4.691 -1.101 1.00 51.22 C ATOM 9 HA MET A 318 1.091 0.065 -1.759 1.00 0.00 H ATOM 10 HB2 MET A 318 0.667 1.767 -0.111 1.00 0.00 H ATOM 11 HB3 MET A 318 2.044 1.200 0.863 1.00 0.00 H ATOM 12 HG2 MET A 318 2.210 2.388 -1.918 1.00 0.00 H ATOM 13 HG3 MET A 318 3.582 1.838 -0.928 1.00 0.00 H ATOM 14 HE1 MET A 318 4.850 4.128 -1.032 1.00 0.00 H ATOM 15 HE2 MET A 318 3.593 4.730 -2.140 1.00 0.00 H ATOM 16 HE3 MET A 318 4.077 5.704 -0.730 1.00 0.00 H ATOM 17 HN3 MET A 318 1.128 -1.028 1.002 1.00 0.00 H ATOM 18 HN2 MET A 318 0.585 -1.860 -0.377 1.00 0.00 H ATOM 19 HN1 MET A 318 -0.251 -0.485 0.170 1.00 0.00 H ATOM 20 N GLU A 319 3.239 -1.075 -2.036 1.00 42.40 N ATOM 21 CA GLU A 319 4.413 -1.839 -2.249 1.00 21.21 C ATOM 22 C GLU A 319 5.386 -1.201 -3.170 1.00 54.03 C ATOM 23 O GLU A 319 5.024 -0.555 -4.157 1.00 70.31 O ATOM 24 CB GLU A 319 4.105 -3.299 -2.581 1.00 13.43 C ATOM 25 CG GLU A 319 2.813 -3.513 -3.352 1.00 50.45 C ATOM 26 CD GLU A 319 1.679 -3.863 -2.390 1.00 10.12 C ATOM 27 OE1 GLU A 319 1.015 -2.941 -1.807 1.00 45.11 O ATOM 28 OE2 GLU A 319 1.498 -5.070 -2.140 1.00 52.21 O ATOM 29 HA GLU A 319 4.934 -1.859 -1.292 1.00 0.00 H ATOM 30 HB2 GLU A 319 4.927 -3.693 -3.178 1.00 0.00 H ATOM 31 HB3 GLU A 319 4.039 -3.854 -1.645 1.00 0.00 H ATOM 32 HG2 GLU A 319 2.560 -2.601 -3.892 1.00 0.00 H ATOM 33 HG3 GLU A 319 2.948 -4.328 -4.063 1.00 0.00 H ATOM 34 H GLU A 319 2.695 -0.742 -2.857 1.00 0.00 H ATOM 35 N ILE A 320 6.615 -1.348 -2.803 1.00 61.52 N ATOM 36 CA ILE A 320 7.719 -0.745 -3.455 1.00 14.33 C ATOM 37 C ILE A 320 8.756 -1.802 -3.756 1.00 53.24 C ATOM 38 O ILE A 320 9.276 -2.451 -2.863 1.00 34.14 O ATOM 39 CB ILE A 320 8.336 0.326 -2.529 1.00 21.41 C ATOM 40 CG1 ILE A 320 7.282 1.400 -2.187 1.00 54.32 C ATOM 41 CG2 ILE A 320 9.551 0.946 -3.186 1.00 15.44 C ATOM 42 CD1 ILE A 320 7.721 2.413 -1.158 1.00 62.12 C ATOM 43 HA ILE A 320 7.388 -0.279 -4.383 1.00 0.00 H ATOM 44 HB ILE A 320 8.656 -0.145 -1.600 1.00 0.00 H ATOM 45 HG12 ILE A 320 7.032 1.934 -3.104 1.00 0.00 H ATOM 46 HG13 ILE A 320 6.393 0.895 -1.808 1.00 0.00 H ATOM 47 HD11 ILE A 320 7.963 1.901 -0.226 1.00 0.00 H ATOM 48 HD12 ILE A 320 8.602 2.941 -1.523 1.00 0.00 H ATOM 49 HD13 ILE A 320 6.914 3.125 -0.984 1.00 0.00 H ATOM 50 HG21 ILE A 320 10.292 0.171 -3.381 1.00 0.00 H ATOM 51 HG22 ILE A 320 9.256 1.413 -4.126 1.00 0.00 H ATOM 52 HG23 ILE A 320 9.976 1.699 -2.523 1.00 0.00 H ATOM 53 H ILE A 320 6.807 -1.948 -1.975 1.00 0.00 H ATOM 54 N LYS A 321 9.000 -2.005 -4.997 1.00 2.30 N ATOM 55 CA LYS A 321 10.013 -2.906 -5.424 1.00 11.11 C ATOM 56 C LYS A 321 11.327 -2.172 -5.474 1.00 11.20 C ATOM 57 O LYS A 321 11.429 -1.123 -6.088 1.00 42.53 O ATOM 58 CB LYS A 321 9.615 -3.505 -6.773 1.00 74.12 C ATOM 59 CG LYS A 321 10.674 -4.359 -7.468 1.00 12.31 C ATOM 60 CD LYS A 321 11.727 -3.537 -8.242 1.00 52.54 C ATOM 61 CE LYS A 321 11.102 -2.703 -9.356 1.00 42.10 C ATOM 62 NZ LYS A 321 12.083 -1.775 -9.977 1.00 51.52 N ATOM 63 HA LYS A 321 10.127 -3.735 -4.725 1.00 0.00 H ATOM 64 HB2 LYS A 321 8.735 -4.129 -6.614 1.00 0.00 H ATOM 65 HB3 LYS A 321 9.360 -2.682 -7.441 1.00 0.00 H ATOM 66 HG2 LYS A 321 11.188 -4.952 -6.712 1.00 0.00 H ATOM 67 HG3 LYS A 321 10.173 -5.024 -8.171 1.00 0.00 H ATOM 68 HD2 LYS A 321 12.233 -2.869 -7.545 1.00 0.00 H ATOM 69 HD3 LYS A 321 12.454 -4.221 -8.681 1.00 0.00 H ATOM 70 HE2 LYS A 321 10.280 -2.120 -8.940 1.00 0.00 H ATOM 71 HE3 LYS A 321 10.717 -3.374 -10.124 1.00 0.00 H ATOM 72 HZ1 LYS A 321 12.451 -1.126 -9.253 1.00 0.00 H ATOM 73 HZ2 LYS A 321 12.868 -2.323 -10.383 1.00 0.00 H ATOM 74 HZ3 LYS A 321 11.615 -1.229 -10.728 1.00 0.00 H ATOM 75 H LYS A 321 8.441 -1.497 -5.712 1.00 0.00 H ATOM 76 N LEU A 322 12.306 -2.715 -4.831 1.00 62.03 N ATOM 77 CA LEU A 322 13.615 -2.127 -4.790 1.00 71.52 C ATOM 78 C LEU A 322 14.612 -3.115 -5.315 1.00 42.51 C ATOM 79 O LEU A 322 14.373 -4.317 -5.280 1.00 64.43 O ATOM 80 CB LEU A 322 13.992 -1.764 -3.353 1.00 53.55 C ATOM 81 CG LEU A 322 13.064 -0.805 -2.631 1.00 74.22 C ATOM 82 CD1 LEU A 322 13.500 -0.640 -1.189 1.00 54.11 C ATOM 83 CD2 LEU A 322 13.064 0.528 -3.330 1.00 50.02 C ATOM 84 HA LEU A 322 13.615 -1.223 -5.399 1.00 0.00 H ATOM 85 HB2 LEU A 322 14.028 -2.688 -2.776 1.00 0.00 H ATOM 86 HB3 LEU A 322 14.984 -1.312 -3.375 1.00 0.00 H ATOM 87 HG LEU A 322 12.053 -1.212 -2.644 1.00 0.00 H ATOM 88 HD21 LEU A 322 14.075 0.936 -3.331 1.00 0.00 H ATOM 89 HD22 LEU A 322 12.722 0.398 -4.357 1.00 0.00 H ATOM 90 HD23 LEU A 322 12.396 1.211 -2.806 1.00 0.00 H ATOM 91 HD11 LEU A 322 13.472 -1.608 -0.689 1.00 0.00 H ATOM 92 HD12 LEU A 322 14.515 -0.244 -1.161 1.00 0.00 H ATOM 93 HD13 LEU A 322 12.825 0.051 -0.683 1.00 0.00 H ATOM 94 H LEU A 322 12.141 -3.609 -4.326 1.00 0.00 H ATOM 95 N ILE A 323 15.678 -2.626 -5.855 1.00 24.23 N ATOM 96 CA ILE A 323 16.766 -3.465 -6.263 1.00 11.12 C ATOM 97 C ILE A 323 17.886 -3.284 -5.261 1.00 32.53 C ATOM 98 O ILE A 323 18.446 -2.198 -5.145 1.00 65.13 O ATOM 99 CB ILE A 323 17.240 -3.125 -7.691 1.00 63.12 C ATOM 100 CG1 ILE A 323 16.093 -3.345 -8.693 1.00 73.13 C ATOM 101 CG2 ILE A 323 18.479 -3.935 -8.089 1.00 1.40 C ATOM 102 CD1 ILE A 323 15.416 -4.708 -8.631 1.00 21.31 C ATOM 103 HA ILE A 323 16.442 -4.505 -6.287 1.00 0.00 H ATOM 104 HB ILE A 323 17.528 -2.074 -7.709 1.00 0.00 H ATOM 105 HG12 ILE A 323 15.334 -2.585 -8.507 1.00 0.00 H ATOM 106 HG13 ILE A 323 16.496 -3.216 -9.698 1.00 0.00 H ATOM 107 HD11 ILE A 323 16.152 -5.487 -8.831 1.00 0.00 H ATOM 108 HD12 ILE A 323 14.989 -4.855 -7.639 1.00 0.00 H ATOM 109 HD13 ILE A 323 14.624 -4.753 -9.379 1.00 0.00 H ATOM 110 HG21 ILE A 323 19.292 -3.716 -7.397 1.00 0.00 H ATOM 111 HG22 ILE A 323 18.244 -4.999 -8.050 1.00 0.00 H ATOM 112 HG23 ILE A 323 18.779 -3.664 -9.101 1.00 0.00 H ATOM 113 H ILE A 323 15.749 -1.598 -5.997 1.00 0.00 H ATOM 114 N LYS A 324 18.155 -4.308 -4.495 1.00 23.52 N ATOM 115 CA LYS A 324 19.158 -4.231 -3.458 1.00 62.21 C ATOM 116 C LYS A 324 20.542 -4.294 -4.076 1.00 72.40 C ATOM 117 O LYS A 324 20.767 -5.055 -4.984 1.00 12.42 O ATOM 118 CB LYS A 324 18.920 -5.340 -2.432 1.00 31.41 C ATOM 119 CG LYS A 324 19.707 -5.217 -1.132 1.00 54.34 C ATOM 120 CD LYS A 324 21.083 -5.857 -1.174 1.00 74.13 C ATOM 121 CE LYS A 324 21.679 -5.927 0.229 1.00 13.10 C ATOM 122 NZ LYS A 324 20.819 -6.725 1.143 1.00 75.31 N ATOM 123 HA LYS A 324 19.086 -3.280 -2.931 1.00 0.00 H ATOM 124 HB2 LYS A 324 17.859 -5.344 -2.183 1.00 0.00 H ATOM 125 HB3 LYS A 324 19.186 -6.289 -2.897 1.00 0.00 H ATOM 126 HG2 LYS A 324 19.829 -4.158 -0.905 1.00 0.00 H ATOM 127 HG3 LYS A 324 19.132 -5.694 -0.338 1.00 0.00 H ATOM 128 HD2 LYS A 324 20.998 -6.865 -1.580 1.00 0.00 H ATOM 129 HD3 LYS A 324 21.736 -5.263 -1.813 1.00 0.00 H ATOM 130 HE2 LYS A 324 21.776 -4.916 0.625 1.00 0.00 H ATOM 131 HE3 LYS A 324 22.664 -6.390 0.174 1.00 0.00 H ATOM 132 HZ1 LYS A 324 19.879 -6.285 1.204 1.00 0.00 H ATOM 133 HZ2 LYS A 324 20.727 -7.693 0.774 1.00 0.00 H ATOM 134 HZ3 LYS A 324 21.252 -6.753 2.088 1.00 0.00 H ATOM 135 H LYS A 324 17.636 -5.198 -4.635 1.00 0.00 H ATOM 136 N GLY A 325 21.450 -3.525 -3.551 1.00 72.43 N ATOM 137 CA GLY A 325 22.760 -3.440 -4.138 1.00 61.24 C ATOM 138 C GLY A 325 23.842 -3.167 -3.113 1.00 51.22 C ATOM 139 O GLY A 325 23.655 -3.456 -1.930 1.00 42.41 O ATOM 140 HA3 GLY A 325 22.762 -2.634 -4.872 1.00 0.00 H ATOM 141 HA2 GLY A 325 22.981 -4.384 -4.637 1.00 0.00 H ATOM 142 H GLY A 325 21.227 -2.968 -2.701 1.00 0.00 H ATOM 143 N PRO A 326 24.977 -2.559 -3.533 1.00 62.14 N ATOM 144 CA PRO A 326 26.149 -2.313 -2.657 1.00 53.41 C ATOM 145 C PRO A 326 25.900 -1.268 -1.560 1.00 24.52 C ATOM 146 O PRO A 326 26.692 -1.119 -0.648 1.00 62.03 O ATOM 147 CB PRO A 326 27.225 -1.818 -3.631 1.00 12.41 C ATOM 148 CG PRO A 326 26.469 -1.250 -4.782 1.00 52.52 C ATOM 149 CD PRO A 326 25.222 -2.078 -4.914 1.00 13.02 C ATOM 150 HA PRO A 326 26.419 -3.215 -2.107 1.00 0.00 H ATOM 151 HD3 PRO A 326 24.388 -1.473 -5.270 1.00 0.00 H ATOM 152 HD2 PRO A 326 25.379 -2.914 -5.596 1.00 0.00 H ATOM 153 HG3 PRO A 326 27.064 -1.314 -5.693 1.00 0.00 H ATOM 154 HG2 PRO A 326 26.213 -0.208 -4.589 1.00 0.00 H ATOM 155 HB2 PRO A 326 27.843 -1.052 -3.163 1.00 0.00 H ATOM 156 HB3 PRO A 326 27.857 -2.644 -3.957 1.00 0.00 H ATOM 157 N LYS A 327 24.811 -0.533 -1.670 1.00 61.24 N ATOM 158 CA LYS A 327 24.470 0.456 -0.652 1.00 0.02 C ATOM 159 C LYS A 327 23.288 -0.068 0.151 1.00 31.45 C ATOM 160 O LYS A 327 22.671 0.652 0.940 1.00 40.03 O ATOM 161 CB LYS A 327 24.159 1.837 -1.298 1.00 41.35 C ATOM 162 CG LYS A 327 25.283 2.322 -2.221 1.00 62.21 C ATOM 163 CD LYS A 327 25.067 3.727 -2.836 1.00 42.11 C ATOM 164 CE LYS A 327 25.466 4.898 -1.905 1.00 44.01 C ATOM 165 NZ LYS A 327 24.517 5.159 -0.802 1.00 44.24 N ATOM 166 HA LYS A 327 25.318 0.609 0.016 1.00 0.00 H ATOM 167 HB2 LYS A 327 23.241 1.752 -1.880 1.00 0.00 H ATOM 168 HB3 LYS A 327 24.018 2.570 -0.504 1.00 0.00 H ATOM 169 HG2 LYS A 327 26.208 2.344 -1.645 1.00 0.00 H ATOM 170 HG3 LYS A 327 25.382 1.607 -3.038 1.00 0.00 H ATOM 171 HD2 LYS A 327 25.662 3.797 -3.747 1.00 0.00 H ATOM 172 HD3 LYS A 327 24.011 3.833 -3.084 1.00 0.00 H ATOM 173 HE2 LYS A 327 25.542 5.802 -2.509 1.00 0.00 H ATOM 174 HE3 LYS A 327 26.439 4.670 -1.470 1.00 0.00 H ATOM 175 HZ1 LYS A 327 23.584 5.392 -1.197 1.00 0.00 H ATOM 176 HZ2 LYS A 327 24.440 4.311 -0.205 1.00 0.00 H ATOM 177 HZ3 LYS A 327 24.862 5.957 -0.231 1.00 0.00 H ATOM 178 H LYS A 327 24.187 -0.659 -2.492 1.00 0.00 H ATOM 179 N GLY A 328 22.990 -1.333 -0.080 1.00 71.25 N ATOM 180 CA GLY A 328 21.904 -2.011 0.573 1.00 10.31 C ATOM 181 C GLY A 328 20.633 -1.734 -0.141 1.00 71.34 C ATOM 182 O GLY A 328 20.576 -1.823 -1.380 1.00 5.22 O ATOM 183 HA3 GLY A 328 21.825 -1.660 1.602 1.00 0.00 H ATOM 184 HA2 GLY A 328 22.094 -3.084 0.570 1.00 0.00 H ATOM 185 H GLY A 328 23.567 -1.862 -0.765 1.00 0.00 H ATOM 186 N LEU A 329 19.618 -1.414 0.609 1.00 35.13 N ATOM 187 CA LEU A 329 18.362 -0.970 0.035 1.00 42.32 C ATOM 188 C LEU A 329 18.408 0.546 -0.019 1.00 51.12 C ATOM 189 O LEU A 329 17.676 1.213 -0.783 1.00 52.22 O ATOM 190 CB LEU A 329 17.141 -1.439 0.846 1.00 62.31 C ATOM 191 CG LEU A 329 16.868 -2.958 0.947 1.00 11.22 C ATOM 192 CD1 LEU A 329 17.928 -3.692 1.754 1.00 30.22 C ATOM 193 CD2 LEU A 329 15.494 -3.208 1.534 1.00 33.11 C ATOM 194 HA LEU A 329 18.247 -1.404 -0.958 1.00 0.00 H ATOM 195 HB2 LEU A 329 17.265 -1.065 1.862 1.00 0.00 H ATOM 196 HB3 LEU A 329 16.260 -0.981 0.397 1.00 0.00 H ATOM 197 HG LEU A 329 16.908 -3.356 -0.067 1.00 0.00 H ATOM 198 HD21 LEU A 329 15.441 -2.769 2.530 1.00 0.00 H ATOM 199 HD22 LEU A 329 14.738 -2.752 0.894 1.00 0.00 H ATOM 200 HD23 LEU A 329 15.318 -4.282 1.598 1.00 0.00 H ATOM 201 HD11 LEU A 329 18.901 -3.557 1.281 1.00 0.00 H ATOM 202 HD12 LEU A 329 17.956 -3.289 2.766 1.00 0.00 H ATOM 203 HD13 LEU A 329 17.684 -4.754 1.791 1.00 0.00 H ATOM 204 H LEU A 329 19.710 -1.478 1.643 1.00 0.00 H ATOM 205 N GLY A 330 19.300 1.082 0.791 1.00 32.32 N ATOM 206 CA GLY A 330 19.566 2.483 0.800 1.00 54.23 C ATOM 207 C GLY A 330 18.649 3.301 1.671 1.00 1.11 C ATOM 208 O GLY A 330 18.240 4.384 1.281 1.00 65.04 O ATOM 209 HA3 GLY A 330 19.478 2.850 -0.222 1.00 0.00 H ATOM 210 HA2 GLY A 330 20.587 2.631 1.151 1.00 0.00 H ATOM 211 H GLY A 330 19.825 0.465 1.443 1.00 0.00 H ATOM 212 N PHE A 331 18.313 2.799 2.827 1.00 41.15 N ATOM 213 CA PHE A 331 17.552 3.575 3.794 1.00 64.22 C ATOM 214 C PHE A 331 17.810 3.067 5.195 1.00 30.23 C ATOM 215 O PHE A 331 18.417 2.011 5.365 1.00 12.15 O ATOM 216 CB PHE A 331 16.039 3.658 3.461 1.00 20.31 C ATOM 217 CG PHE A 331 15.284 2.362 3.444 1.00 30.43 C ATOM 218 CD1 PHE A 331 15.315 1.540 2.339 1.00 20.53 C ATOM 219 CD2 PHE A 331 14.520 1.985 4.525 1.00 2.45 C ATOM 220 CE1 PHE A 331 14.601 0.366 2.316 1.00 65.44 C ATOM 221 CE2 PHE A 331 13.803 0.813 4.502 1.00 11.55 C ATOM 222 CZ PHE A 331 13.845 0.004 3.398 1.00 40.11 C ATOM 223 HA PHE A 331 17.907 4.604 3.735 1.00 0.00 H ATOM 224 HB2 PHE A 331 15.571 4.304 4.204 1.00 0.00 H ATOM 225 HB3 PHE A 331 15.941 4.111 2.474 1.00 0.00 H ATOM 226 HD2 PHE A 331 14.483 2.623 5.408 1.00 0.00 H ATOM 227 HE2 PHE A 331 13.200 0.527 5.364 1.00 0.00 H ATOM 228 HZ PHE A 331 13.277 -0.926 3.381 1.00 0.00 H ATOM 229 HE1 PHE A 331 14.637 -0.277 1.436 1.00 0.00 H ATOM 230 HD1 PHE A 331 15.913 1.824 1.473 1.00 0.00 H ATOM 231 H PHE A 331 18.594 1.826 3.062 1.00 0.00 H ATOM 232 N SER A 332 17.392 3.815 6.182 1.00 14.34 N ATOM 233 CA SER A 332 17.581 3.435 7.550 1.00 62.01 C ATOM 234 C SER A 332 16.236 3.352 8.242 1.00 74.23 C ATOM 235 O SER A 332 15.395 4.264 8.113 1.00 24.32 O ATOM 236 CB SER A 332 18.460 4.438 8.261 1.00 21.42 C ATOM 237 OG SER A 332 19.545 4.829 7.426 1.00 62.02 O ATOM 238 HA SER A 332 18.069 2.461 7.581 1.00 0.00 H ATOM 239 HB2 SER A 332 18.853 3.989 9.173 1.00 0.00 H ATOM 240 HB3 SER A 332 17.868 5.317 8.516 1.00 0.00 H ATOM 241 HG SER A 332 20.110 5.485 7.906 1.00 0.00 H ATOM 242 H SER A 332 16.909 4.711 5.968 1.00 0.00 H ATOM 243 N ILE A 333 16.024 2.294 8.954 1.00 75.14 N ATOM 244 CA ILE A 333 14.778 2.083 9.638 1.00 33.11 C ATOM 245 C ILE A 333 14.969 2.116 11.121 1.00 44.14 C ATOM 246 O ILE A 333 16.081 1.915 11.608 1.00 33.04 O ATOM 247 CB ILE A 333 14.110 0.748 9.240 1.00 13.22 C ATOM 248 CG1 ILE A 333 15.114 -0.431 9.325 1.00 22.24 C ATOM 249 CG2 ILE A 333 13.505 0.861 7.860 1.00 63.13 C ATOM 250 CD1 ILE A 333 14.486 -1.784 9.071 1.00 51.41 C ATOM 251 HA ILE A 333 14.119 2.897 9.336 1.00 0.00 H ATOM 252 HB ILE A 333 13.309 0.537 9.949 1.00 0.00 H ATOM 253 HG12 ILE A 333 15.897 -0.270 8.584 1.00 0.00 H ATOM 254 HG13 ILE A 333 15.554 -0.437 10.322 1.00 0.00 H ATOM 255 HD11 ILE A 333 13.707 -1.966 9.811 1.00 0.00 H ATOM 256 HD12 ILE A 333 14.050 -1.799 8.072 1.00 0.00 H ATOM 257 HD13 ILE A 333 15.250 -2.558 9.148 1.00 0.00 H ATOM 258 HG21 ILE A 333 12.755 1.652 7.857 1.00 0.00 H ATOM 259 HG22 ILE A 333 14.288 1.099 7.140 1.00 0.00 H ATOM 260 HG23 ILE A 333 13.037 -0.086 7.591 1.00 0.00 H ATOM 261 H ILE A 333 16.774 1.578 9.034 1.00 0.00 H ATOM 262 N ALA A 334 13.907 2.444 11.805 1.00 32.30 N ATOM 263 CA ALA A 334 13.832 2.423 13.232 1.00 51.31 C ATOM 264 C ALA A 334 12.414 2.113 13.616 1.00 61.43 C ATOM 265 O ALA A 334 11.483 2.838 13.255 1.00 41.31 O ATOM 266 CB ALA A 334 14.267 3.742 13.849 1.00 2.20 C ATOM 267 HA ALA A 334 14.514 1.662 13.611 1.00 0.00 H ATOM 268 HB1 ALA A 334 15.299 3.951 13.567 1.00 0.00 H ATOM 269 HB2 ALA A 334 13.621 4.542 13.487 1.00 0.00 H ATOM 270 HB3 ALA A 334 14.192 3.676 14.934 1.00 0.00 H ATOM 271 H ALA A 334 13.061 2.740 11.278 1.00 0.00 H ATOM 272 N GLY A 335 12.240 1.009 14.230 1.00 51.23 N ATOM 273 CA GLY A 335 10.968 0.621 14.718 1.00 1.23 C ATOM 274 C GLY A 335 11.025 -0.798 15.131 1.00 70.43 C ATOM 275 O GLY A 335 11.969 -1.497 14.780 1.00 4.10 O ATOM 276 HA3 GLY A 335 10.222 0.744 13.933 1.00 0.00 H ATOM 277 HA2 GLY A 335 10.699 1.241 15.574 1.00 0.00 H ATOM 278 H GLY A 335 13.053 0.377 14.376 1.00 0.00 H ATOM 279 N GLY A 336 10.108 -1.211 15.919 1.00 61.14 N ATOM 280 CA GLY A 336 10.083 -2.555 16.359 1.00 51.14 C ATOM 281 C GLY A 336 9.850 -2.569 17.814 1.00 4.13 C ATOM 282 O GLY A 336 9.785 -1.497 18.410 1.00 5.13 O ATOM 283 HA3 GLY A 336 11.037 -3.033 16.135 1.00 0.00 H ATOM 284 HA2 GLY A 336 9.281 -3.092 15.853 1.00 0.00 H ATOM 285 H GLY A 336 9.371 -0.551 16.241 1.00 0.00 H ATOM 286 N VAL A 337 9.759 -3.746 18.397 1.00 31.14 N ATOM 287 CA VAL A 337 9.533 -3.908 19.829 1.00 13.31 C ATOM 288 C VAL A 337 10.566 -3.110 20.642 1.00 11.33 C ATOM 289 O VAL A 337 11.758 -3.458 20.703 1.00 72.21 O ATOM 290 CB VAL A 337 9.556 -5.408 20.257 1.00 25.23 C ATOM 291 CG1 VAL A 337 9.316 -5.558 21.758 1.00 41.45 C ATOM 292 CG2 VAL A 337 8.514 -6.205 19.481 1.00 54.22 C ATOM 293 HA VAL A 337 8.538 -3.516 20.040 1.00 0.00 H ATOM 294 HB VAL A 337 10.546 -5.802 20.027 1.00 0.00 H ATOM 295 HG11 VAL A 337 10.096 -5.028 22.304 1.00 0.00 H ATOM 296 HG12 VAL A 337 8.343 -5.138 22.013 1.00 0.00 H ATOM 297 HG13 VAL A 337 9.338 -6.615 22.024 1.00 0.00 H ATOM 298 HG21 VAL A 337 7.523 -5.796 19.680 1.00 0.00 H ATOM 299 HG22 VAL A 337 8.728 -6.139 18.414 1.00 0.00 H ATOM 300 HG23 VAL A 337 8.548 -7.248 19.796 1.00 0.00 H ATOM 301 H VAL A 337 9.853 -4.599 17.810 1.00 0.00 H ATOM 302 N GLY A 338 10.111 -1.999 21.182 1.00 25.15 N ATOM 303 CA GLY A 338 10.942 -1.157 21.995 1.00 4.01 C ATOM 304 C GLY A 338 11.573 -0.009 21.222 1.00 72.43 C ATOM 305 O GLY A 338 12.034 0.959 21.830 1.00 24.14 O ATOM 306 HA3 GLY A 338 11.739 -1.766 22.423 1.00 0.00 H ATOM 307 HA2 GLY A 338 10.333 -0.741 22.798 1.00 0.00 H ATOM 308 H GLY A 338 9.122 -1.724 21.015 1.00 0.00 H ATOM 309 N ASN A 339 11.641 -0.129 19.902 1.00 15.41 N ATOM 310 CA ASN A 339 12.209 0.933 19.053 1.00 35.31 C ATOM 311 C ASN A 339 11.102 1.640 18.282 1.00 62.13 C ATOM 312 O ASN A 339 11.348 2.231 17.244 1.00 2.11 O ATOM 313 CB ASN A 339 13.285 0.389 18.075 1.00 22.50 C ATOM 314 CG ASN A 339 14.156 1.525 17.497 1.00 53.42 C ATOM 315 OD1 ASN A 339 14.283 2.564 18.111 1.00 73.11 O ATOM 316 ND2 ASN A 339 14.840 1.299 16.408 1.00 35.52 N ATOM 317 HA ASN A 339 12.702 1.647 19.712 1.00 0.00 H ATOM 318 HB2 ASN A 339 13.927 -0.312 18.609 1.00 0.00 H ATOM 319 HB3 ASN A 339 12.788 -0.128 17.254 1.00 0.00 H ATOM 320 HD22 ASN A 339 14.719 0.403 15.894 1.00 0.00 H ATOM 321 HD21 ASN A 339 15.506 2.015 16.054 1.00 0.00 H ATOM 322 H ASN A 339 11.283 -0.997 19.454 1.00 0.00 H ATOM 323 N GLN A 340 9.880 1.553 18.794 1.00 21.41 N ATOM 324 CA GLN A 340 8.726 2.159 18.160 1.00 64.11 C ATOM 325 C GLN A 340 8.983 3.645 17.865 1.00 44.11 C ATOM 326 O GLN A 340 9.305 4.430 18.762 1.00 72.42 O ATOM 327 CB GLN A 340 7.451 1.904 19.008 1.00 42.32 C ATOM 328 CG GLN A 340 7.451 2.496 20.418 1.00 31.04 C ATOM 329 CD GLN A 340 6.568 3.729 20.552 1.00 0.03 C ATOM 330 OE1 GLN A 340 5.390 3.635 20.897 1.00 13.41 O ATOM 331 NE2 GLN A 340 7.101 4.870 20.236 1.00 65.01 N ATOM 332 HA GLN A 340 8.552 1.689 17.192 1.00 0.00 H ATOM 333 HB2 GLN A 340 6.603 2.326 18.469 1.00 0.00 H ATOM 334 HB3 GLN A 340 7.322 0.826 19.099 1.00 0.00 H ATOM 335 HG2 GLN A 340 7.093 1.736 21.113 1.00 0.00 H ATOM 336 HG3 GLN A 340 8.473 2.772 20.678 1.00 0.00 H ATOM 337 HE22 GLN A 340 8.099 4.916 19.949 1.00 0.00 H ATOM 338 HE21 GLN A 340 6.529 5.738 20.270 1.00 0.00 H ATOM 339 H GLN A 340 9.746 1.031 19.683 1.00 0.00 H ATOM 340 N HIS A 341 8.917 3.982 16.597 1.00 71.33 N ATOM 341 CA HIS A 341 9.210 5.326 16.124 1.00 53.25 C ATOM 342 C HIS A 341 8.075 6.270 16.502 1.00 31.22 C ATOM 343 O HIS A 341 8.295 7.368 17.001 1.00 10.20 O ATOM 344 CB HIS A 341 9.421 5.275 14.592 1.00 21.20 C ATOM 345 CG HIS A 341 9.813 6.572 13.916 1.00 52.11 C ATOM 346 ND1 HIS A 341 11.044 6.802 13.335 1.00 44.15 N ATOM 347 CD2 HIS A 341 9.083 7.685 13.669 1.00 54.13 C ATOM 348 CE1 HIS A 341 11.012 8.014 12.772 1.00 20.32 C ATOM 349 NE2 HIS A 341 9.845 8.588 12.946 1.00 62.33 N ATOM 350 HA HIS A 341 10.119 5.705 16.592 1.00 0.00 H ATOM 351 HB2 HIS A 341 10.207 4.547 14.391 1.00 0.00 H ATOM 352 HB3 HIS A 341 8.488 4.936 14.141 1.00 0.00 H ATOM 353 HD2 HIS A 341 8.054 7.846 13.990 1.00 0.00 H ATOM 354 HE1 HIS A 341 11.847 8.467 12.238 1.00 0.00 H ATOM 355 H HIS A 341 8.644 3.258 15.902 1.00 0.00 H ATOM 356 N ILE A 342 6.868 5.823 16.291 1.00 50.45 N ATOM 357 CA ILE A 342 5.719 6.630 16.598 1.00 64.12 C ATOM 358 C ILE A 342 5.080 6.106 17.876 1.00 4.41 C ATOM 359 O ILE A 342 4.819 4.912 17.977 1.00 35.11 O ATOM 360 CB ILE A 342 4.678 6.622 15.439 1.00 2.41 C ATOM 361 CG1 ILE A 342 5.290 7.163 14.130 1.00 31.53 C ATOM 362 CG2 ILE A 342 3.451 7.442 15.817 1.00 53.24 C ATOM 363 CD1 ILE A 342 5.709 8.628 14.181 1.00 73.24 C ATOM 364 HA ILE A 342 6.046 7.661 16.731 1.00 0.00 H ATOM 365 HB ILE A 342 4.378 5.587 15.273 1.00 0.00 H ATOM 366 HG12 ILE A 342 6.171 6.566 13.894 1.00 0.00 H ATOM 367 HG13 ILE A 342 4.551 7.048 13.337 1.00 0.00 H ATOM 368 HD11 ILE A 342 4.839 9.246 14.402 1.00 0.00 H ATOM 369 HD12 ILE A 342 6.459 8.763 14.960 1.00 0.00 H ATOM 370 HD13 ILE A 342 6.127 8.919 13.217 1.00 0.00 H ATOM 371 HG21 ILE A 342 2.992 7.016 16.709 1.00 0.00 H ATOM 372 HG22 ILE A 342 3.751 8.471 16.017 1.00 0.00 H ATOM 373 HG23 ILE A 342 2.736 7.424 14.994 1.00 0.00 H ATOM 374 H ILE A 342 6.735 4.870 15.896 1.00 0.00 H ATOM 375 N PRO A 343 4.890 6.982 18.896 1.00 12.40 N ATOM 376 CA PRO A 343 4.252 6.610 20.171 1.00 74.34 C ATOM 377 C PRO A 343 2.898 5.934 19.982 1.00 64.02 C ATOM 378 O PRO A 343 1.923 6.568 19.575 1.00 20.01 O ATOM 379 CB PRO A 343 4.089 7.950 20.894 1.00 0.03 C ATOM 380 CG PRO A 343 5.165 8.807 20.333 1.00 54.02 C ATOM 381 CD PRO A 343 5.304 8.403 18.893 1.00 61.43 C ATOM 382 HA PRO A 343 4.849 5.882 20.721 1.00 0.00 H ATOM 383 HD3 PRO A 343 4.651 8.999 18.255 1.00 0.00 H ATOM 384 HD2 PRO A 343 6.335 8.509 18.555 1.00 0.00 H ATOM 385 HG3 PRO A 343 6.101 8.639 20.866 1.00 0.00 H ATOM 386 HG2 PRO A 343 4.890 9.859 20.407 1.00 0.00 H ATOM 387 HB2 PRO A 343 3.108 8.381 20.692 1.00 0.00 H ATOM 388 HB3 PRO A 343 4.216 7.826 21.969 1.00 0.00 H ATOM 389 N GLY A 344 2.875 4.643 20.232 1.00 52.41 N ATOM 390 CA GLY A 344 1.662 3.882 20.122 1.00 53.23 C ATOM 391 C GLY A 344 1.655 2.984 18.907 1.00 40.03 C ATOM 392 O GLY A 344 0.774 2.143 18.762 1.00 12.34 O ATOM 393 HA3 GLY A 344 0.821 4.572 20.053 1.00 0.00 H ATOM 394 HA2 GLY A 344 1.553 3.265 21.014 1.00 0.00 H ATOM 395 H GLY A 344 3.753 4.163 20.515 1.00 0.00 H ATOM 396 N ASP A 345 2.651 3.126 18.052 1.00 54.31 N ATOM 397 CA ASP A 345 2.687 2.350 16.824 1.00 52.43 C ATOM 398 C ASP A 345 4.020 1.593 16.752 1.00 42.14 C ATOM 399 O ASP A 345 5.060 2.142 16.358 1.00 55.21 O ATOM 400 CB ASP A 345 2.504 3.276 15.611 1.00 3.44 C ATOM 401 CG ASP A 345 2.112 2.547 14.346 1.00 42.21 C ATOM 402 OD1 ASP A 345 2.827 1.629 13.941 1.00 5.42 O ATOM 403 OD2 ASP A 345 1.078 2.918 13.723 1.00 45.05 O ATOM 404 HA ASP A 345 1.872 1.627 16.814 1.00 0.00 H ATOM 405 HB2 ASP A 345 1.726 4.002 15.846 1.00 0.00 H ATOM 406 HB3 ASP A 345 3.444 3.798 15.431 1.00 0.00 H ATOM 407 H ASP A 345 3.416 3.799 18.259 1.00 0.00 H ATOM 408 N ASN A 346 3.984 0.326 17.128 1.00 71.22 N ATOM 409 CA ASN A 346 5.180 -0.510 17.307 1.00 34.14 C ATOM 410 C ASN A 346 5.665 -1.102 15.962 1.00 74.50 C ATOM 411 O ASN A 346 6.244 -2.192 15.902 1.00 22.24 O ATOM 412 CB ASN A 346 4.811 -1.632 18.292 1.00 31.53 C ATOM 413 CG ASN A 346 5.994 -2.348 18.897 1.00 33.05 C ATOM 414 OD1 ASN A 346 7.069 -1.781 19.074 1.00 74.42 O ATOM 415 ND2 ASN A 346 5.783 -3.558 19.283 1.00 45.34 N ATOM 416 HA ASN A 346 6.001 0.093 17.696 1.00 0.00 H ATOM 417 HB2 ASN A 346 4.226 -1.196 19.102 1.00 0.00 H ATOM 418 HB3 ASN A 346 4.204 -2.365 17.761 1.00 0.00 H ATOM 419 HD22 ASN A 346 4.859 -4.004 19.115 1.00 0.00 H ATOM 420 HD21 ASN A 346 6.537 -4.090 19.763 1.00 0.00 H ATOM 421 H ASN A 346 3.055 -0.105 17.308 1.00 0.00 H ATOM 422 N SER A 347 5.491 -0.354 14.909 1.00 53.52 N ATOM 423 CA SER A 347 5.861 -0.819 13.590 1.00 5.54 C ATOM 424 C SER A 347 7.262 -0.341 13.214 1.00 12.33 C ATOM 425 O SER A 347 7.874 0.470 13.930 1.00 11.45 O ATOM 426 CB SER A 347 4.856 -0.312 12.578 1.00 12.12 C ATOM 427 OG SER A 347 3.534 -0.637 12.978 1.00 62.34 O ATOM 428 HA SER A 347 5.864 -1.909 13.593 1.00 0.00 H ATOM 429 HB2 SER A 347 5.060 -0.770 11.610 1.00 0.00 H ATOM 430 HB3 SER A 347 4.948 0.771 12.493 1.00 0.00 H ATOM 431 HG SER A 347 3.344 -0.220 13.855 1.00 0.00 H ATOM 432 H SER A 347 5.079 0.594 15.019 1.00 0.00 H ATOM 433 N ILE A 348 7.769 -0.852 12.107 1.00 55.23 N ATOM 434 CA ILE A 348 9.059 -0.460 11.598 1.00 30.22 C ATOM 435 C ILE A 348 8.867 0.816 10.781 1.00 30.34 C ATOM 436 O ILE A 348 8.013 0.851 9.895 1.00 45.34 O ATOM 437 CB ILE A 348 9.633 -1.558 10.664 1.00 23.21 C ATOM 438 CG1 ILE A 348 9.532 -2.960 11.303 1.00 25.12 C ATOM 439 CG2 ILE A 348 11.072 -1.247 10.279 1.00 65.11 C ATOM 440 CD1 ILE A 348 10.224 -3.111 12.636 1.00 71.05 C ATOM 441 HA ILE A 348 9.749 -0.307 12.428 1.00 0.00 H ATOM 442 HB ILE A 348 9.027 -1.563 9.758 1.00 0.00 H ATOM 443 HG12 ILE A 348 8.476 -3.192 11.443 1.00 0.00 H ATOM 444 HG13 ILE A 348 9.972 -3.678 10.611 1.00 0.00 H ATOM 445 HD11 ILE A 348 11.287 -2.899 12.518 1.00 0.00 H ATOM 446 HD12 ILE A 348 9.790 -2.412 13.351 1.00 0.00 H ATOM 447 HD13 ILE A 348 10.094 -4.131 12.998 1.00 0.00 H ATOM 448 HG21 ILE A 348 11.109 -0.290 9.759 1.00 0.00 H ATOM 449 HG22 ILE A 348 11.685 -1.197 11.179 1.00 0.00 H ATOM 450 HG23 ILE A 348 11.449 -2.032 9.624 1.00 0.00 H ATOM 451 H ILE A 348 7.218 -1.562 11.584 1.00 0.00 H ATOM 452 N TYR A 349 9.625 1.849 11.065 1.00 22.22 N ATOM 453 CA TYR A 349 9.474 3.099 10.347 1.00 30.21 C ATOM 454 C TYR A 349 10.755 3.552 9.708 1.00 45.43 C ATOM 455 O TYR A 349 11.831 3.468 10.301 1.00 11.44 O ATOM 456 CB TYR A 349 8.920 4.209 11.247 1.00 4.45 C ATOM 457 CG TYR A 349 7.434 4.132 11.469 1.00 32.10 C ATOM 458 CD1 TYR A 349 6.877 3.306 12.433 1.00 34.54 C ATOM 459 CD2 TYR A 349 6.586 4.880 10.684 1.00 53.00 C ATOM 460 CE1 TYR A 349 5.508 3.227 12.587 1.00 14.34 C ATOM 461 CE2 TYR A 349 5.229 4.818 10.839 1.00 24.32 C ATOM 462 CZ TYR A 349 4.692 3.990 11.782 1.00 15.44 C ATOM 463 OH TYR A 349 3.336 3.901 11.895 1.00 33.05 O ATOM 464 HA TYR A 349 8.754 2.901 9.553 1.00 0.00 H ATOM 465 HB3 TYR A 349 9.149 5.170 10.787 1.00 0.00 H ATOM 466 HB2 TYR A 349 9.415 4.144 12.216 1.00 0.00 H ATOM 467 HD2 TYR A 349 7.006 5.536 9.922 1.00 0.00 H ATOM 468 HE2 TYR A 349 4.578 5.428 10.212 1.00 0.00 H ATOM 469 HE1 TYR A 349 5.076 2.567 13.339 1.00 0.00 H ATOM 470 HD1 TYR A 349 7.527 2.713 13.076 1.00 0.00 H ATOM 471 HH TYR A 349 3.107 3.265 12.618 1.00 0.00 H ATOM 472 H TYR A 349 10.342 1.770 11.814 1.00 0.00 H ATOM 473 N VAL A 350 10.636 4.005 8.488 1.00 41.22 N ATOM 474 CA VAL A 350 11.749 4.554 7.748 1.00 64.41 C ATOM 475 C VAL A 350 12.131 5.872 8.395 1.00 10.10 C ATOM 476 O VAL A 350 11.356 6.805 8.393 1.00 42.24 O ATOM 477 CB VAL A 350 11.367 4.800 6.270 1.00 65.14 C ATOM 478 CG1 VAL A 350 12.561 5.308 5.474 1.00 4.33 C ATOM 479 CG2 VAL A 350 10.804 3.533 5.646 1.00 14.02 C ATOM 480 HA VAL A 350 12.581 3.850 7.767 1.00 0.00 H ATOM 481 HB VAL A 350 10.595 5.569 6.244 1.00 0.00 H ATOM 482 HG11 VAL A 350 12.911 6.246 5.905 1.00 0.00 H ATOM 483 HG12 VAL A 350 13.361 4.569 5.510 1.00 0.00 H ATOM 484 HG13 VAL A 350 12.263 5.472 4.439 1.00 0.00 H ATOM 485 HG21 VAL A 350 11.554 2.743 5.691 1.00 0.00 H ATOM 486 HG22 VAL A 350 9.915 3.223 6.195 1.00 0.00 H ATOM 487 HG23 VAL A 350 10.541 3.727 4.606 1.00 0.00 H ATOM 488 H VAL A 350 9.702 3.969 8.031 1.00 0.00 H ATOM 489 N THR A 351 13.292 5.927 8.966 1.00 12.25 N ATOM 490 CA THR A 351 13.714 7.093 9.702 1.00 74.20 C ATOM 491 C THR A 351 14.687 7.947 8.881 1.00 32.35 C ATOM 492 O THR A 351 14.807 9.149 9.087 1.00 44.10 O ATOM 493 CB THR A 351 14.337 6.628 11.026 1.00 32.41 C ATOM 494 OG1 THR A 351 13.363 5.810 11.692 1.00 74.32 O ATOM 495 CG2 THR A 351 14.723 7.798 11.932 1.00 3.33 C ATOM 496 HA THR A 351 12.855 7.730 9.913 1.00 0.00 H ATOM 497 HB THR A 351 15.254 6.079 10.812 1.00 0.00 H ATOM 498 HG1 THR A 351 12.546 6.343 11.860 1.00 0.00 H ATOM 499 HG23 THR A 351 15.462 8.419 11.426 1.00 0.00 H ATOM 500 HG21 THR A 351 13.837 8.393 12.152 1.00 0.00 H ATOM 501 HG22 THR A 351 15.144 7.413 12.861 1.00 0.00 H ATOM 502 H THR A 351 13.934 5.112 8.892 1.00 0.00 H ATOM 503 N LYS A 352 15.350 7.327 7.937 1.00 22.10 N ATOM 504 CA LYS A 352 16.303 8.009 7.080 1.00 21.03 C ATOM 505 C LYS A 352 16.335 7.291 5.758 1.00 74.13 C ATOM 506 O LYS A 352 15.979 6.119 5.692 1.00 62.44 O ATOM 507 CB LYS A 352 17.723 7.988 7.709 1.00 33.54 C ATOM 508 CG LYS A 352 17.905 8.844 8.961 1.00 71.13 C ATOM 509 CD LYS A 352 19.244 8.590 9.641 1.00 42.02 C ATOM 510 CE LYS A 352 19.364 9.394 10.934 1.00 51.54 C ATOM 511 NZ LYS A 352 20.600 9.066 11.692 1.00 12.31 N ATOM 512 HA LYS A 352 16.001 9.049 6.954 1.00 0.00 H ATOM 513 HB2 LYS A 352 17.958 6.956 7.971 1.00 0.00 H ATOM 514 HB3 LYS A 352 18.428 8.340 6.956 1.00 0.00 H ATOM 515 HG2 LYS A 352 17.848 9.895 8.679 1.00 0.00 H ATOM 516 HG3 LYS A 352 17.104 8.613 9.664 1.00 0.00 H ATOM 517 HD2 LYS A 352 19.331 7.528 9.872 1.00 0.00 H ATOM 518 HD3 LYS A 352 20.048 8.880 8.965 1.00 0.00 H ATOM 519 HE2 LYS A 352 18.500 9.178 11.562 1.00 0.00 H ATOM 520 HE3 LYS A 352 19.376 10.456 10.687 1.00 0.00 H ATOM 521 HZ1 LYS A 352 20.595 8.056 11.940 1.00 0.00 H ATOM 522 HZ2 LYS A 352 21.432 9.276 11.104 1.00 0.00 H ATOM 523 HZ3 LYS A 352 20.635 9.637 12.560 1.00 0.00 H ATOM 524 H LYS A 352 15.188 6.309 7.796 1.00 0.00 H ATOM 525 N ILE A 353 16.732 7.974 4.725 1.00 5.34 N ATOM 526 CA ILE A 353 16.878 7.384 3.417 1.00 14.32 C ATOM 527 C ILE A 353 18.255 7.774 2.895 1.00 15.31 C ATOM 528 O ILE A 353 18.617 8.945 2.927 1.00 12.02 O ATOM 529 CB ILE A 353 15.742 7.817 2.430 1.00 24.13 C ATOM 530 CG1 ILE A 353 14.372 7.346 2.954 1.00 71.20 C ATOM 531 CG2 ILE A 353 15.993 7.243 1.044 1.00 4.54 C ATOM 532 CD1 ILE A 353 13.197 7.774 2.102 1.00 33.15 C ATOM 533 HA ILE A 353 16.789 6.300 3.493 1.00 0.00 H ATOM 534 HB ILE A 353 15.741 8.905 2.363 1.00 0.00 H ATOM 535 HG12 ILE A 353 14.381 6.257 3.001 1.00 0.00 H ATOM 536 HG13 ILE A 353 14.232 7.751 3.956 1.00 0.00 H ATOM 537 HD11 ILE A 353 13.163 8.862 2.053 1.00 0.00 H ATOM 538 HD12 ILE A 353 13.311 7.367 1.097 1.00 0.00 H ATOM 539 HD13 ILE A 353 12.274 7.400 2.544 1.00 0.00 H ATOM 540 HG21 ILE A 353 16.948 7.609 0.668 1.00 0.00 H ATOM 541 HG22 ILE A 353 16.017 6.155 1.102 1.00 0.00 H ATOM 542 HG23 ILE A 353 15.193 7.555 0.373 1.00 0.00 H ATOM 543 H ILE A 353 16.952 8.983 4.847 1.00 0.00 H ATOM 544 N ILE A 354 19.003 6.793 2.453 1.00 64.13 N ATOM 545 CA ILE A 354 20.401 6.959 2.078 1.00 74.13 C ATOM 546 C ILE A 354 20.534 7.438 0.621 1.00 22.32 C ATOM 547 O ILE A 354 19.780 6.990 -0.278 1.00 13.31 O ATOM 548 CB ILE A 354 21.172 5.614 2.319 1.00 71.12 C ATOM 549 CG1 ILE A 354 21.082 5.194 3.802 1.00 14.52 C ATOM 550 CG2 ILE A 354 22.623 5.674 1.874 1.00 20.33 C ATOM 551 CD1 ILE A 354 21.663 6.199 4.788 1.00 43.43 C ATOM 552 HA ILE A 354 20.848 7.731 2.704 1.00 0.00 H ATOM 553 HB ILE A 354 20.683 4.862 1.700 1.00 0.00 H ATOM 554 HG12 ILE A 354 20.031 5.045 4.049 1.00 0.00 H ATOM 555 HG13 ILE A 354 21.619 4.253 3.921 1.00 0.00 H ATOM 556 HD11 ILE A 354 22.720 6.353 4.568 1.00 0.00 H ATOM 557 HD12 ILE A 354 21.130 7.146 4.696 1.00 0.00 H ATOM 558 HD13 ILE A 354 21.554 5.816 5.802 1.00 0.00 H ATOM 559 HG21 ILE A 354 22.666 5.894 0.807 1.00 0.00 H ATOM 560 HG22 ILE A 354 23.140 6.457 2.429 1.00 0.00 H ATOM 561 HG23 ILE A 354 23.101 4.714 2.067 1.00 0.00 H ATOM 562 H ILE A 354 18.577 5.848 2.365 1.00 0.00 H ATOM 563 N GLU A 355 21.495 8.319 0.394 1.00 50.13 N ATOM 564 CA GLU A 355 21.727 8.957 -0.881 1.00 71.25 C ATOM 565 C GLU A 355 22.013 7.932 -1.978 1.00 40.12 C ATOM 566 O GLU A 355 22.819 7.003 -1.809 1.00 63.23 O ATOM 567 CB GLU A 355 22.868 10.013 -0.773 1.00 70.11 C ATOM 568 CG GLU A 355 24.314 9.478 -0.595 1.00 74.12 C ATOM 569 CD GLU A 355 24.475 8.484 0.539 1.00 15.33 C ATOM 570 OE1 GLU A 355 23.925 8.720 1.617 1.00 25.11 O ATOM 571 OE2 GLU A 355 25.079 7.401 0.304 1.00 55.53 O ATOM 572 HA GLU A 355 20.813 9.480 -1.163 1.00 0.00 H ATOM 573 HB2 GLU A 355 22.849 10.611 -1.684 1.00 0.00 H ATOM 574 HB3 GLU A 355 22.646 10.650 0.083 1.00 0.00 H ATOM 575 HG2 GLU A 355 24.615 8.990 -1.522 1.00 0.00 H ATOM 576 HG3 GLU A 355 24.971 10.326 -0.402 1.00 0.00 H ATOM 577 H GLU A 355 22.124 8.568 1.184 1.00 0.00 H ATOM 578 N GLY A 356 21.275 8.040 -3.061 1.00 1.24 N ATOM 579 CA GLY A 356 21.479 7.160 -4.186 1.00 11.33 C ATOM 580 C GLY A 356 21.010 5.749 -3.912 1.00 44.11 C ATOM 581 O GLY A 356 21.273 4.849 -4.693 1.00 51.12 O ATOM 582 HA3 GLY A 356 22.543 7.135 -4.422 1.00 0.00 H ATOM 583 HA2 GLY A 356 20.928 7.552 -5.041 1.00 0.00 H ATOM 584 H GLY A 356 20.535 8.769 -3.107 1.00 0.00 H ATOM 585 N GLY A 357 20.328 5.558 -2.789 1.00 33.25 N ATOM 586 CA GLY A 357 19.821 4.268 -2.452 1.00 60.24 C ATOM 587 C GLY A 357 18.684 3.871 -3.351 1.00 53.50 C ATOM 588 O GLY A 357 18.032 4.744 -3.962 1.00 71.34 O ATOM 589 HA3 GLY A 357 19.469 4.284 -1.421 1.00 0.00 H ATOM 590 HA2 GLY A 357 20.622 3.536 -2.549 1.00 0.00 H ATOM 591 H GLY A 357 20.161 6.359 -2.147 1.00 0.00 H ATOM 592 N ALA A 358 18.411 2.584 -3.420 1.00 64.50 N ATOM 593 CA ALA A 358 17.341 2.068 -4.249 1.00 72.43 C ATOM 594 C ALA A 358 16.033 2.679 -3.823 1.00 22.51 C ATOM 595 O ALA A 358 15.248 3.102 -4.654 1.00 52.53 O ATOM 596 CB ALA A 358 17.269 0.559 -4.157 1.00 64.12 C ATOM 597 HA ALA A 358 17.543 2.334 -5.287 1.00 0.00 H ATOM 598 HB1 ALA A 358 18.213 0.130 -4.494 1.00 0.00 H ATOM 599 HB2 ALA A 358 17.085 0.268 -3.123 1.00 0.00 H ATOM 600 HB3 ALA A 358 16.458 0.196 -4.788 1.00 0.00 H ATOM 601 H ALA A 358 18.982 1.917 -2.862 1.00 0.00 H ATOM 602 N ALA A 359 15.839 2.805 -2.519 1.00 63.12 N ATOM 603 CA ALA A 359 14.612 3.392 -2.005 1.00 2.52 C ATOM 604 C ALA A 359 14.558 4.914 -2.221 1.00 22.44 C ATOM 605 O ALA A 359 13.515 5.536 -2.091 1.00 31.02 O ATOM 606 CB ALA A 359 14.400 3.044 -0.556 1.00 33.00 C ATOM 607 HA ALA A 359 13.794 2.958 -2.579 1.00 0.00 H ATOM 608 HB1 ALA A 359 14.337 1.961 -0.449 1.00 0.00 H ATOM 609 HB2 ALA A 359 15.237 3.420 0.033 1.00 0.00 H ATOM 610 HB3 ALA A 359 13.474 3.500 -0.206 1.00 0.00 H ATOM 611 H ALA A 359 16.572 2.481 -1.856 1.00 0.00 H ATOM 612 N HIS A 360 15.675 5.483 -2.566 1.00 45.45 N ATOM 613 CA HIS A 360 15.761 6.894 -2.856 1.00 32.24 C ATOM 614 C HIS A 360 15.561 7.119 -4.360 1.00 54.24 C ATOM 615 O HIS A 360 15.199 8.203 -4.812 1.00 30.31 O ATOM 616 CB HIS A 360 17.130 7.439 -2.339 1.00 11.51 C ATOM 617 CG HIS A 360 17.566 8.787 -2.852 1.00 61.52 C ATOM 618 ND1 HIS A 360 17.369 9.977 -2.197 1.00 1.01 N ATOM 619 CD2 HIS A 360 18.231 9.095 -3.991 1.00 23.34 C ATOM 620 CE1 HIS A 360 17.905 10.951 -2.940 1.00 20.23 C ATOM 621 NE2 HIS A 360 18.446 10.456 -4.050 1.00 42.42 N ATOM 622 HA HIS A 360 14.974 7.446 -2.342 1.00 0.00 H ATOM 623 HB2 HIS A 360 17.070 7.504 -1.253 1.00 0.00 H ATOM 624 HB3 HIS A 360 17.898 6.717 -2.616 1.00 0.00 H ATOM 625 HD2 HIS A 360 18.548 8.376 -4.746 1.00 0.00 H ATOM 626 HE1 HIS A 360 17.899 12.008 -2.672 1.00 0.00 H ATOM 627 H HIS A 360 16.535 4.902 -2.635 1.00 0.00 H ATOM 628 N LYS A 361 15.871 6.121 -5.140 1.00 22.05 N ATOM 629 CA LYS A 361 15.700 6.236 -6.561 1.00 23.01 C ATOM 630 C LYS A 361 14.394 5.645 -7.059 1.00 24.32 C ATOM 631 O LYS A 361 13.579 6.345 -7.632 1.00 31.50 O ATOM 632 CB LYS A 361 16.895 5.622 -7.246 1.00 43.24 C ATOM 633 CG LYS A 361 16.982 5.869 -8.750 1.00 52.34 C ATOM 634 CD LYS A 361 16.756 7.355 -9.187 1.00 41.34 C ATOM 635 CE LYS A 361 17.722 8.393 -8.552 1.00 1.21 C ATOM 636 NZ LYS A 361 17.360 8.772 -7.142 1.00 74.43 N ATOM 637 HA LYS A 361 15.639 7.295 -6.811 1.00 0.00 H ATOM 638 HB2 LYS A 361 17.794 6.030 -6.785 1.00 0.00 H ATOM 639 HB3 LYS A 361 16.861 4.545 -7.083 1.00 0.00 H ATOM 640 HG2 LYS A 361 17.972 5.563 -9.087 1.00 0.00 H ATOM 641 HG3 LYS A 361 16.227 5.253 -9.239 1.00 0.00 H ATOM 642 HD2 LYS A 361 16.870 7.408 -10.270 1.00 0.00 H ATOM 643 HD3 LYS A 361 15.738 7.634 -8.916 1.00 0.00 H ATOM 644 HE2 LYS A 361 17.710 9.294 -9.165 1.00 0.00 H ATOM 645 HE3 LYS A 361 18.727 7.971 -8.548 1.00 0.00 H ATOM 646 HZ1 LYS A 361 16.407 9.187 -7.130 1.00 0.00 H ATOM 647 HZ2 LYS A 361 17.377 7.923 -6.541 1.00 0.00 H ATOM 648 HZ3 LYS A 361 18.047 9.466 -6.784 1.00 0.00 H ATOM 649 H LYS A 361 16.243 5.240 -4.732 1.00 0.00 H ATOM 650 N ASP A 362 14.213 4.385 -6.811 1.00 64.41 N ATOM 651 CA ASP A 362 13.006 3.659 -7.234 1.00 1.24 C ATOM 652 C ASP A 362 11.979 3.843 -6.191 1.00 52.21 C ATOM 653 O ASP A 362 10.817 4.024 -6.464 1.00 51.10 O ATOM 654 CB ASP A 362 13.281 2.161 -7.270 1.00 60.45 C ATOM 655 CG ASP A 362 12.231 1.337 -8.056 1.00 3.10 C ATOM 656 OD1 ASP A 362 10.994 1.538 -7.872 1.00 23.23 O ATOM 657 OD2 ASP A 362 12.637 0.471 -8.876 1.00 51.22 O ATOM 658 HA ASP A 362 12.698 4.027 -8.213 1.00 0.00 H ATOM 659 HB2 ASP A 362 14.255 2.004 -7.734 1.00 0.00 H ATOM 660 HB3 ASP A 362 13.305 1.794 -6.244 1.00 0.00 H ATOM 661 H ASP A 362 14.951 3.867 -6.292 1.00 0.00 H ATOM 662 N GLY A 363 12.481 3.859 -4.985 1.00 74.34 N ATOM 663 CA GLY A 363 11.714 3.748 -3.769 1.00 12.12 C ATOM 664 C GLY A 363 10.467 4.541 -3.639 1.00 51.12 C ATOM 665 O GLY A 363 9.543 4.050 -3.049 1.00 71.15 O ATOM 666 HA3 GLY A 363 12.369 4.042 -2.948 1.00 0.00 H ATOM 667 HA2 GLY A 363 11.441 2.699 -3.656 1.00 0.00 H ATOM 668 H GLY A 363 13.512 3.959 -4.895 1.00 0.00 H ATOM 669 N LYS A 364 10.429 5.753 -4.191 1.00 4.15 N ATOM 670 CA LYS A 364 9.289 6.720 -4.007 1.00 62.03 C ATOM 671 C LYS A 364 8.802 6.745 -2.518 1.00 32.14 C ATOM 672 O LYS A 364 7.658 7.084 -2.222 1.00 50.43 O ATOM 673 CB LYS A 364 8.078 6.496 -5.031 1.00 55.11 C ATOM 674 CG LYS A 364 7.137 5.249 -4.857 1.00 13.03 C ATOM 675 CD LYS A 364 7.722 3.908 -5.341 1.00 11.30 C ATOM 676 CE LYS A 364 7.888 3.836 -6.848 1.00 23.20 C ATOM 677 NZ LYS A 364 8.635 2.614 -7.259 1.00 41.12 N ATOM 678 HA LYS A 364 9.688 7.705 -4.250 1.00 0.00 H ATOM 679 HB2 LYS A 364 7.445 7.382 -4.972 1.00 0.00 H ATOM 680 HB3 LYS A 364 8.514 6.428 -6.028 1.00 0.00 H ATOM 681 HG2 LYS A 364 6.901 5.151 -3.797 1.00 0.00 H ATOM 682 HG3 LYS A 364 6.221 5.438 -5.416 1.00 0.00 H ATOM 683 HD2 LYS A 364 8.699 3.769 -4.878 1.00 0.00 H ATOM 684 HD3 LYS A 364 7.055 3.105 -5.027 1.00 0.00 H ATOM 685 HE2 LYS A 364 8.435 4.716 -7.187 1.00 0.00 H ATOM 686 HE3 LYS A 364 6.902 3.821 -7.313 1.00 0.00 H ATOM 687 HZ1 LYS A 364 9.580 2.624 -6.824 1.00 0.00 H ATOM 688 HZ2 LYS A 364 8.116 1.770 -6.944 1.00 0.00 H ATOM 689 HZ3 LYS A 364 8.729 2.599 -8.295 1.00 0.00 H ATOM 690 H LYS A 364 11.232 6.048 -4.782 1.00 0.00 H ATOM 691 N LEU A 365 9.748 6.478 -1.621 1.00 20.11 N ATOM 692 CA LEU A 365 9.512 6.230 -0.211 1.00 40.03 C ATOM 693 C LEU A 365 9.752 7.498 0.580 1.00 63.43 C ATOM 694 O LEU A 365 10.549 8.355 0.162 1.00 74.54 O ATOM 695 CB LEU A 365 10.506 5.131 0.229 1.00 64.24 C ATOM 696 CG LEU A 365 10.422 4.592 1.661 1.00 71.14 C ATOM 697 CD1 LEU A 365 9.108 3.866 1.892 1.00 53.31 C ATOM 698 CD2 LEU A 365 11.595 3.663 1.930 1.00 24.44 C ATOM 699 HA LEU A 365 8.484 5.913 -0.036 1.00 0.00 H ATOM 700 HB2 LEU A 365 10.365 4.283 -0.442 1.00 0.00 H ATOM 701 HB3 LEU A 365 11.510 5.534 0.096 1.00 0.00 H ATOM 702 HG LEU A 365 10.466 5.434 2.352 1.00 0.00 H ATOM 703 HD21 LEU A 365 11.565 2.830 1.228 1.00 0.00 H ATOM 704 HD22 LEU A 365 12.528 4.212 1.805 1.00 0.00 H ATOM 705 HD23 LEU A 365 11.530 3.283 2.950 1.00 0.00 H ATOM 706 HD11 LEU A 365 8.280 4.555 1.728 1.00 0.00 H ATOM 707 HD12 LEU A 365 9.029 3.030 1.197 1.00 0.00 H ATOM 708 HD13 LEU A 365 9.075 3.494 2.916 1.00 0.00 H ATOM 709 H LEU A 365 10.732 6.445 -1.956 1.00 0.00 H ATOM 710 N GLN A 366 9.078 7.636 1.696 1.00 43.20 N ATOM 711 CA GLN A 366 9.224 8.791 2.515 1.00 51.31 C ATOM 712 C GLN A 366 9.688 8.425 3.909 1.00 62.23 C ATOM 713 O GLN A 366 9.431 7.318 4.406 1.00 73.22 O ATOM 714 CB GLN A 366 7.912 9.538 2.585 1.00 44.34 C ATOM 715 CG GLN A 366 7.489 10.040 1.235 1.00 74.35 C ATOM 716 CD GLN A 366 6.184 10.744 1.244 1.00 32.02 C ATOM 717 OE1 GLN A 366 5.791 11.373 2.215 1.00 61.14 O ATOM 718 NE2 GLN A 366 5.490 10.638 0.169 1.00 53.43 N ATOM 719 HA GLN A 366 9.984 9.431 2.067 1.00 0.00 H ATOM 720 HB2 GLN A 366 7.143 8.868 2.970 1.00 0.00 H ATOM 721 HB3 GLN A 366 8.024 10.387 3.259 1.00 0.00 H ATOM 722 HG2 GLN A 366 8.250 10.730 0.870 1.00 0.00 H ATOM 723 HG3 GLN A 366 7.417 9.189 0.558 1.00 0.00 H ATOM 724 HE22 GLN A 366 5.859 10.094 -0.637 1.00 0.00 H ATOM 725 HE21 GLN A 366 4.559 11.096 0.104 1.00 0.00 H ATOM 726 H GLN A 366 8.422 6.885 1.990 1.00 0.00 H ATOM 727 N ILE A 367 10.428 9.316 4.521 1.00 53.34 N ATOM 728 CA ILE A 367 10.792 9.149 5.896 1.00 44.12 C ATOM 729 C ILE A 367 9.501 9.239 6.735 1.00 5.03 C ATOM 730 O ILE A 367 8.793 10.241 6.670 1.00 41.15 O ATOM 731 CB ILE A 367 11.834 10.216 6.351 1.00 32.10 C ATOM 732 CG1 ILE A 367 13.160 10.012 5.592 1.00 11.45 C ATOM 733 CG2 ILE A 367 12.046 10.176 7.861 1.00 55.02 C ATOM 734 CD1 ILE A 367 14.225 11.047 5.900 1.00 51.14 C ATOM 735 HA ILE A 367 11.269 8.179 6.036 1.00 0.00 H ATOM 736 HB ILE A 367 11.446 11.205 6.110 1.00 0.00 H ATOM 737 HG12 ILE A 367 13.554 9.029 5.852 1.00 0.00 H ATOM 738 HG13 ILE A 367 12.950 10.047 4.523 1.00 0.00 H ATOM 739 HD11 ILE A 367 13.855 12.037 5.634 1.00 0.00 H ATOM 740 HD12 ILE A 367 14.460 11.019 6.964 1.00 0.00 H ATOM 741 HD13 ILE A 367 15.123 10.826 5.323 1.00 0.00 H ATOM 742 HG21 ILE A 367 11.101 10.377 8.365 1.00 0.00 H ATOM 743 HG22 ILE A 367 12.410 9.190 8.149 1.00 0.00 H ATOM 744 HG23 ILE A 367 12.778 10.932 8.144 1.00 0.00 H ATOM 745 H ILE A 367 10.755 10.155 4.002 1.00 0.00 H ATOM 746 N GLY A 368 9.204 8.204 7.486 1.00 35.51 N ATOM 747 CA GLY A 368 7.969 8.159 8.238 1.00 35.11 C ATOM 748 C GLY A 368 7.049 7.047 7.762 1.00 60.45 C ATOM 749 O GLY A 368 5.960 6.862 8.299 1.00 43.25 O ATOM 750 HA3 GLY A 368 7.454 9.113 8.126 1.00 0.00 H ATOM 751 HA2 GLY A 368 8.204 7.995 9.290 1.00 0.00 H ATOM 752 H GLY A 368 9.867 7.404 7.541 1.00 0.00 H ATOM 753 N ASP A 369 7.477 6.327 6.739 1.00 2.54 N ATOM 754 CA ASP A 369 6.726 5.186 6.227 1.00 63.53 C ATOM 755 C ASP A 369 6.827 3.962 7.114 1.00 20.32 C ATOM 756 O ASP A 369 7.911 3.627 7.628 1.00 74.45 O ATOM 757 CB ASP A 369 7.114 4.861 4.795 1.00 21.41 C ATOM 758 CG ASP A 369 6.400 5.760 3.807 1.00 24.24 C ATOM 759 OD1 ASP A 369 5.173 5.972 3.985 1.00 62.52 O ATOM 760 OD2 ASP A 369 7.032 6.240 2.848 1.00 1.34 O ATOM 761 HA ASP A 369 5.678 5.486 6.235 1.00 0.00 H ATOM 762 HB2 ASP A 369 8.190 4.993 4.681 1.00 0.00 H ATOM 763 HB3 ASP A 369 6.852 3.824 4.584 1.00 0.00 H ATOM 764 H ASP A 369 8.377 6.582 6.285 1.00 0.00 H ATOM 765 N LYS A 370 5.688 3.312 7.302 1.00 30.02 N ATOM 766 CA LYS A 370 5.549 2.120 8.128 1.00 73.01 C ATOM 767 C LYS A 370 5.708 0.874 7.288 1.00 33.12 C ATOM 768 O LYS A 370 4.940 0.631 6.357 1.00 42.10 O ATOM 769 CB LYS A 370 4.169 2.127 8.835 1.00 10.02 C ATOM 770 CG LYS A 370 3.636 0.762 9.280 1.00 20.13 C ATOM 771 CD LYS A 370 2.276 0.901 9.953 1.00 3.32 C ATOM 772 CE LYS A 370 1.539 -0.437 10.063 1.00 70.20 C ATOM 773 NZ LYS A 370 2.318 -1.478 10.750 1.00 25.10 N ATOM 774 HA LYS A 370 6.332 2.122 8.886 1.00 0.00 H ATOM 775 HB2 LYS A 370 4.250 2.758 9.720 1.00 0.00 H ATOM 776 HB3 LYS A 370 3.443 2.560 8.147 1.00 0.00 H ATOM 777 HG2 LYS A 370 3.538 0.115 8.408 1.00 0.00 H ATOM 778 HG3 LYS A 370 4.339 0.317 9.984 1.00 0.00 H ATOM 779 HD2 LYS A 370 2.421 1.305 10.955 1.00 0.00 H ATOM 780 HD3 LYS A 370 1.665 1.590 9.370 1.00 0.00 H ATOM 781 HE2 LYS A 370 1.305 -0.787 9.057 1.00 0.00 H ATOM 782 HE3 LYS A 370 0.613 -0.277 10.615 1.00 0.00 H ATOM 783 HZ1 LYS A 370 3.201 -1.649 10.228 1.00 0.00 H ATOM 784 HZ2 LYS A 370 2.540 -1.163 11.716 1.00 0.00 H ATOM 785 HZ3 LYS A 370 1.762 -2.356 10.790 1.00 0.00 H ATOM 786 H LYS A 370 4.837 3.677 6.829 1.00 0.00 H ATOM 787 N LEU A 371 6.679 0.089 7.609 1.00 62.01 N ATOM 788 CA LEU A 371 6.894 -1.122 6.891 1.00 24.45 C ATOM 789 C LEU A 371 6.080 -2.226 7.493 1.00 2.13 C ATOM 790 O LEU A 371 6.201 -2.529 8.677 1.00 51.13 O ATOM 791 CB LEU A 371 8.363 -1.508 6.841 1.00 1.22 C ATOM 792 CG LEU A 371 9.298 -0.480 6.227 1.00 34.34 C ATOM 793 CD1 LEU A 371 10.716 -0.998 6.199 1.00 3.22 C ATOM 794 CD2 LEU A 371 8.843 -0.084 4.837 1.00 10.41 C ATOM 795 HA LEU A 371 6.573 -0.956 5.863 1.00 0.00 H ATOM 796 HB2 LEU A 371 8.695 -1.694 7.862 1.00 0.00 H ATOM 797 HB3 LEU A 371 8.448 -2.426 6.260 1.00 0.00 H ATOM 798 HG LEU A 371 9.270 0.412 6.853 1.00 0.00 H ATOM 799 HD21 LEU A 371 8.827 -0.966 4.196 1.00 0.00 H ATOM 800 HD22 LEU A 371 7.843 0.345 4.892 1.00 0.00 H ATOM 801 HD23 LEU A 371 9.533 0.653 4.426 1.00 0.00 H ATOM 802 HD11 LEU A 371 11.044 -1.210 7.217 1.00 0.00 H ATOM 803 HD12 LEU A 371 10.756 -1.911 5.605 1.00 0.00 H ATOM 804 HD13 LEU A 371 11.368 -0.245 5.755 1.00 0.00 H ATOM 805 H LEU A 371 7.309 0.342 8.397 1.00 0.00 H ATOM 806 N LEU A 372 5.243 -2.773 6.672 1.00 3.43 N ATOM 807 CA LEU A 372 4.396 -3.890 7.002 1.00 72.23 C ATOM 808 C LEU A 372 5.194 -5.148 6.858 1.00 11.51 C ATOM 809 O LEU A 372 5.080 -6.084 7.657 1.00 51.44 O ATOM 810 CB LEU A 372 3.229 -3.990 6.004 1.00 24.15 C ATOM 811 CG LEU A 372 2.170 -2.899 6.011 1.00 62.32 C ATOM 812 CD1 LEU A 372 1.180 -3.149 4.882 1.00 31.51 C ATOM 813 CD2 LEU A 372 1.439 -2.875 7.340 1.00 33.41 C ATOM 814 HA LEU A 372 4.018 -3.755 8.016 1.00 0.00 H ATOM 815 HB2 LEU A 372 3.662 -4.011 5.004 1.00 0.00 H ATOM 816 HB3 LEU A 372 2.720 -4.934 6.198 1.00 0.00 H ATOM 817 HG LEU A 372 2.656 -1.934 5.866 1.00 0.00 H ATOM 818 HD21 LEU A 372 0.956 -3.838 7.505 1.00 0.00 H ATOM 819 HD22 LEU A 372 2.152 -2.682 8.142 1.00 0.00 H ATOM 820 HD23 LEU A 372 0.686 -2.088 7.325 1.00 0.00 H ATOM 821 HD11 LEU A 372 1.708 -3.139 3.929 1.00 0.00 H ATOM 822 HD12 LEU A 372 0.705 -4.120 5.025 1.00 0.00 H ATOM 823 HD13 LEU A 372 0.421 -2.367 4.887 1.00 0.00 H ATOM 824 H LEU A 372 5.178 -2.380 5.711 1.00 0.00 H ATOM 825 N ALA A 373 6.009 -5.185 5.813 1.00 25.34 N ATOM 826 CA ALA A 373 6.737 -6.381 5.502 1.00 71.53 C ATOM 827 C ALA A 373 7.859 -6.121 4.519 1.00 30.03 C ATOM 828 O ALA A 373 7.911 -5.071 3.868 1.00 24.01 O ATOM 829 CB ALA A 373 5.773 -7.414 4.904 1.00 61.24 C ATOM 830 HA ALA A 373 7.180 -6.754 6.425 1.00 0.00 H ATOM 831 HB1 ALA A 373 4.989 -7.639 5.627 1.00 0.00 H ATOM 832 HB2 ALA A 373 5.326 -7.009 3.996 1.00 0.00 H ATOM 833 HB3 ALA A 373 6.321 -8.325 4.666 1.00 0.00 H ATOM 834 H ALA A 373 6.121 -4.342 5.215 1.00 0.00 H ATOM 835 N VAL A 374 8.741 -7.076 4.408 1.00 1.33 N ATOM 836 CA VAL A 374 9.774 -7.055 3.391 1.00 53.01 C ATOM 837 C VAL A 374 9.824 -8.437 2.746 1.00 1.02 C ATOM 838 O VAL A 374 9.963 -9.438 3.428 1.00 11.31 O ATOM 839 CB VAL A 374 11.178 -6.619 3.941 1.00 53.15 C ATOM 840 CG1 VAL A 374 11.695 -7.559 5.012 1.00 65.50 C ATOM 841 CG2 VAL A 374 12.184 -6.495 2.812 1.00 5.32 C ATOM 842 HA VAL A 374 9.521 -6.298 2.649 1.00 0.00 H ATOM 843 HB VAL A 374 11.047 -5.642 4.406 1.00 0.00 H ATOM 844 HG11 VAL A 374 10.995 -7.576 5.848 1.00 0.00 H ATOM 845 HG12 VAL A 374 11.792 -8.562 4.597 1.00 0.00 H ATOM 846 HG13 VAL A 374 12.669 -7.213 5.359 1.00 0.00 H ATOM 847 HG21 VAL A 374 12.286 -7.457 2.310 1.00 0.00 H ATOM 848 HG22 VAL A 374 11.838 -5.747 2.099 1.00 0.00 H ATOM 849 HG23 VAL A 374 13.149 -6.192 3.218 1.00 0.00 H ATOM 850 H VAL A 374 8.702 -7.877 5.070 1.00 0.00 H ATOM 851 N ASN A 375 9.576 -8.480 1.429 1.00 21.32 N ATOM 852 CA ASN A 375 9.471 -9.749 0.633 1.00 13.12 C ATOM 853 C ASN A 375 8.318 -10.528 1.144 1.00 55.24 C ATOM 854 O ASN A 375 8.219 -11.740 1.049 1.00 55.33 O ATOM 855 CB ASN A 375 10.765 -10.522 0.650 1.00 44.51 C ATOM 856 CG ASN A 375 11.810 -9.685 0.021 1.00 71.33 C ATOM 857 OD1 ASN A 375 11.537 -8.907 -0.894 1.00 44.02 O ATOM 858 ND2 ASN A 375 12.972 -9.758 0.488 1.00 33.53 N ATOM 859 HA ASN A 375 9.293 -9.520 -0.418 1.00 0.00 H ATOM 860 HB2 ASN A 375 11.045 -10.752 1.678 1.00 0.00 H ATOM 861 HB3 ASN A 375 10.648 -11.450 0.090 1.00 0.00 H ATOM 862 HD22 ASN A 375 13.181 -10.422 1.261 1.00 0.00 H ATOM 863 HD21 ASN A 375 13.726 -9.155 0.102 1.00 0.00 H ATOM 864 H ASN A 375 9.448 -7.578 0.927 1.00 0.00 H ATOM 865 N ASN A 376 7.432 -9.726 1.631 1.00 53.31 N ATOM 866 CA ASN A 376 6.169 -10.051 2.231 1.00 71.43 C ATOM 867 C ASN A 376 6.327 -10.823 3.566 1.00 24.21 C ATOM 868 O ASN A 376 5.375 -11.419 4.075 1.00 75.33 O ATOM 869 CB ASN A 376 5.246 -10.769 1.245 1.00 55.54 C ATOM 870 CG ASN A 376 3.810 -10.372 1.471 1.00 62.41 C ATOM 871 OD1 ASN A 376 3.283 -9.441 0.825 1.00 32.54 O ATOM 872 ND2 ASN A 376 3.186 -10.986 2.406 1.00 3.14 N ATOM 873 HA ASN A 376 5.687 -9.107 2.487 1.00 0.00 H ATOM 874 HB2 ASN A 376 5.534 -10.505 0.228 1.00 0.00 H ATOM 875 HB3 ASN A 376 5.345 -11.846 1.381 1.00 0.00 H ATOM 876 HD22 ASN A 376 3.654 -11.757 2.924 1.00 0.00 H ATOM 877 HD21 ASN A 376 2.212 -10.714 2.647 1.00 0.00 H ATOM 878 H ASN A 376 7.663 -8.713 1.583 1.00 0.00 H ATOM 879 N VAL A 377 7.515 -10.758 4.150 1.00 12.43 N ATOM 880 CA VAL A 377 7.746 -11.299 5.482 1.00 24.01 C ATOM 881 C VAL A 377 7.318 -10.227 6.464 1.00 2.42 C ATOM 882 O VAL A 377 7.814 -9.102 6.384 1.00 65.12 O ATOM 883 CB VAL A 377 9.243 -11.624 5.731 1.00 70.34 C ATOM 884 CG1 VAL A 377 9.447 -12.252 7.110 1.00 63.35 C ATOM 885 CG2 VAL A 377 9.804 -12.525 4.636 1.00 15.32 C ATOM 886 HA VAL A 377 7.187 -12.228 5.596 1.00 0.00 H ATOM 887 HB VAL A 377 9.793 -10.683 5.703 1.00 0.00 H ATOM 888 HG11 VAL A 377 9.108 -11.557 7.878 1.00 0.00 H ATOM 889 HG12 VAL A 377 8.873 -13.176 7.175 1.00 0.00 H ATOM 890 HG13 VAL A 377 10.505 -12.469 7.256 1.00 0.00 H ATOM 891 HG21 VAL A 377 9.244 -13.460 4.615 1.00 0.00 H ATOM 892 HG22 VAL A 377 9.713 -12.023 3.673 1.00 0.00 H ATOM 893 HG23 VAL A 377 10.854 -12.733 4.841 1.00 0.00 H ATOM 894 H VAL A 377 8.304 -10.308 3.643 1.00 0.00 H ATOM 895 N CYS A 378 6.405 -10.570 7.351 1.00 24.42 N ATOM 896 CA CYS A 378 5.793 -9.640 8.291 1.00 62.13 C ATOM 897 C CYS A 378 6.792 -8.948 9.232 1.00 42.32 C ATOM 898 O CYS A 378 7.561 -9.596 9.937 1.00 73.33 O ATOM 899 CB CYS A 378 4.724 -10.377 9.089 1.00 1.51 C ATOM 900 SG CYS A 378 5.321 -11.906 9.846 1.00 73.01 S ATOM 901 HA CYS A 378 5.351 -8.835 7.703 1.00 0.00 H ATOM 902 HB2 CYS A 378 3.899 -10.622 8.419 1.00 0.00 H ATOM 903 HB3 CYS A 378 4.365 -9.717 9.879 1.00 0.00 H ATOM 904 HG CYS A 378 6.358 -11.616 10.709 1.00 0.00 H ATOM 905 H CYS A 378 6.103 -11.565 7.382 1.00 0.00 H ATOM 906 N LEU A 379 6.757 -7.633 9.204 1.00 72.10 N ATOM 907 CA LEU A 379 7.561 -6.759 10.065 1.00 52.02 C ATOM 908 C LEU A 379 6.679 -6.125 11.141 1.00 13.32 C ATOM 909 O LEU A 379 7.118 -5.257 11.907 1.00 72.24 O ATOM 910 CB LEU A 379 8.217 -5.661 9.214 1.00 53.23 C ATOM 911 CG LEU A 379 9.627 -5.931 8.655 1.00 21.34 C ATOM 912 CD1 LEU A 379 9.755 -7.302 8.040 1.00 1.43 C ATOM 913 CD2 LEU A 379 9.975 -4.874 7.628 1.00 50.24 C ATOM 914 HA LEU A 379 8.336 -7.352 10.551 1.00 0.00 H ATOM 915 HB2 LEU A 379 7.561 -5.472 8.364 1.00 0.00 H ATOM 916 HB3 LEU A 379 8.278 -4.764 9.831 1.00 0.00 H ATOM 917 HG LEU A 379 10.323 -5.889 9.493 1.00 0.00 H ATOM 918 HD21 LEU A 379 9.249 -4.906 6.815 1.00 0.00 H ATOM 919 HD22 LEU A 379 9.952 -3.891 8.098 1.00 0.00 H ATOM 920 HD23 LEU A 379 10.973 -5.067 7.234 1.00 0.00 H ATOM 921 HD11 LEU A 379 9.543 -8.059 8.795 1.00 0.00 H ATOM 922 HD12 LEU A 379 9.045 -7.398 7.219 1.00 0.00 H ATOM 923 HD13 LEU A 379 10.769 -7.437 7.663 1.00 0.00 H ATOM 924 H LEU A 379 6.114 -7.181 8.523 1.00 0.00 H ATOM 925 N GLU A 380 5.449 -6.570 11.183 1.00 73.23 N ATOM 926 CA GLU A 380 4.470 -6.088 12.132 1.00 64.24 C ATOM 927 C GLU A 380 4.788 -6.577 13.534 1.00 34.40 C ATOM 928 O GLU A 380 4.699 -7.772 13.805 1.00 34.22 O ATOM 929 CB GLU A 380 3.071 -6.549 11.720 1.00 41.32 C ATOM 930 CG GLU A 380 2.601 -5.982 10.393 1.00 13.35 C ATOM 931 CD GLU A 380 2.495 -4.479 10.431 1.00 21.15 C ATOM 932 OE1 GLU A 380 1.455 -3.952 10.871 1.00 11.54 O ATOM 933 OE2 GLU A 380 3.447 -3.782 10.036 1.00 60.30 O ATOM 934 HA GLU A 380 4.502 -4.998 12.135 1.00 0.00 H ATOM 935 HB2 GLU A 380 3.076 -7.636 11.646 1.00 0.00 H ATOM 936 HB3 GLU A 380 2.367 -6.242 12.493 1.00 0.00 H ATOM 937 HG2 GLU A 380 3.311 -6.266 9.616 1.00 0.00 H ATOM 938 HG3 GLU A 380 1.622 -6.399 10.158 1.00 0.00 H ATOM 939 H GLU A 380 5.163 -7.303 10.503 1.00 0.00 H ATOM 940 N GLU A 381 5.193 -5.633 14.391 1.00 30.33 N ATOM 941 CA GLU A 381 5.511 -5.868 15.789 1.00 40.31 C ATOM 942 C GLU A 381 6.561 -6.989 15.983 1.00 52.23 C ATOM 943 O GLU A 381 6.273 -8.085 16.449 1.00 12.54 O ATOM 944 CB GLU A 381 4.232 -6.062 16.629 1.00 11.44 C ATOM 945 CG GLU A 381 4.476 -6.249 18.111 1.00 13.11 C ATOM 946 CD GLU A 381 3.304 -5.813 18.936 1.00 35.43 C ATOM 947 OE1 GLU A 381 2.402 -6.620 19.186 1.00 60.45 O ATOM 948 OE2 GLU A 381 3.303 -4.622 19.340 1.00 52.10 O ATOM 949 HA GLU A 381 5.994 -4.969 16.171 1.00 0.00 H ATOM 950 HB2 GLU A 381 3.601 -5.184 16.496 1.00 0.00 H ATOM 951 HB3 GLU A 381 3.710 -6.943 16.256 1.00 0.00 H ATOM 952 HG2 GLU A 381 4.669 -7.304 18.305 1.00 0.00 H ATOM 953 HG3 GLU A 381 5.348 -5.662 18.401 1.00 0.00 H ATOM 954 H GLU A 381 5.287 -4.662 14.031 1.00 0.00 H ATOM 955 N VAL A 382 7.760 -6.707 15.531 1.00 34.13 N ATOM 956 CA VAL A 382 8.892 -7.613 15.675 1.00 12.15 C ATOM 957 C VAL A 382 10.043 -6.820 16.264 1.00 34.50 C ATOM 958 O VAL A 382 9.941 -5.595 16.382 1.00 74.35 O ATOM 959 CB VAL A 382 9.329 -8.254 14.315 1.00 44.35 C ATOM 960 CG1 VAL A 382 8.234 -9.146 13.746 1.00 52.44 C ATOM 961 CG2 VAL A 382 9.716 -7.185 13.304 1.00 0.42 C ATOM 962 HA VAL A 382 8.599 -8.438 16.325 1.00 0.00 H ATOM 963 HB VAL A 382 10.204 -8.873 14.514 1.00 0.00 H ATOM 964 HG11 VAL A 382 8.015 -9.947 14.453 1.00 0.00 H ATOM 965 HG12 VAL A 382 7.335 -8.553 13.577 1.00 0.00 H ATOM 966 HG13 VAL A 382 8.570 -9.575 12.802 1.00 0.00 H ATOM 967 HG21 VAL A 382 8.863 -6.531 13.123 1.00 0.00 H ATOM 968 HG22 VAL A 382 10.547 -6.599 13.697 1.00 0.00 H ATOM 969 HG23 VAL A 382 10.015 -7.661 12.370 1.00 0.00 H ATOM 970 H VAL A 382 7.909 -5.797 15.049 1.00 0.00 H ATOM 971 N THR A 383 11.108 -7.463 16.632 1.00 31.12 N ATOM 972 CA THR A 383 12.228 -6.771 17.228 1.00 24.01 C ATOM 973 C THR A 383 12.991 -6.033 16.125 1.00 14.00 C ATOM 974 O THR A 383 13.113 -6.547 15.017 1.00 31.22 O ATOM 975 CB THR A 383 13.170 -7.767 17.891 1.00 32.14 C ATOM 976 OG1 THR A 383 12.397 -8.799 18.514 1.00 13.33 O ATOM 977 CG2 THR A 383 14.009 -7.075 18.963 1.00 14.04 C ATOM 978 HA THR A 383 11.860 -6.071 17.978 1.00 0.00 H ATOM 979 HB THR A 383 13.830 -8.186 17.131 1.00 0.00 H ATOM 980 HG1 THR A 383 11.852 -9.261 17.829 1.00 0.00 H ATOM 981 HG23 THR A 383 14.604 -6.286 18.504 1.00 0.00 H ATOM 982 HG21 THR A 383 13.350 -6.643 19.716 1.00 0.00 H ATOM 983 HG22 THR A 383 14.670 -7.804 19.432 1.00 0.00 H ATOM 984 H THR A 383 11.157 -8.493 16.496 1.00 0.00 H ATOM 985 N HIS A 384 13.533 -4.855 16.438 1.00 21.10 N ATOM 986 CA HIS A 384 14.214 -4.026 15.423 1.00 60.42 C ATOM 987 C HIS A 384 15.274 -4.827 14.659 1.00 4.04 C ATOM 988 O HIS A 384 15.245 -4.875 13.448 1.00 55.40 O ATOM 989 CB HIS A 384 14.823 -2.721 16.010 1.00 54.14 C ATOM 990 CG HIS A 384 15.323 -1.780 14.942 1.00 5.13 C ATOM 991 ND1 HIS A 384 16.460 -1.024 15.044 1.00 61.12 N ATOM 992 CD2 HIS A 384 14.791 -1.478 13.737 1.00 3.42 C ATOM 993 CE1 HIS A 384 16.583 -0.310 13.925 1.00 54.44 C ATOM 994 NE2 HIS A 384 15.590 -0.553 13.107 1.00 40.53 N ATOM 995 HA HIS A 384 13.440 -3.721 14.719 1.00 0.00 H ATOM 996 HB2 HIS A 384 14.057 -2.211 16.594 1.00 0.00 H ATOM 997 HB3 HIS A 384 15.657 -2.987 16.660 1.00 0.00 H ATOM 998 HD2 HIS A 384 13.873 -1.901 13.329 1.00 0.00 H ATOM 999 HE1 HIS A 384 17.399 0.382 13.719 1.00 0.00 H ATOM 1000 H HIS A 384 13.475 -4.513 17.418 1.00 0.00 H ATOM 1001 N GLU A 385 16.140 -5.521 15.380 1.00 53.13 N ATOM 1002 CA GLU A 385 17.196 -6.307 14.746 1.00 61.43 C ATOM 1003 C GLU A 385 16.629 -7.462 13.924 1.00 65.35 C ATOM 1004 O GLU A 385 17.182 -7.833 12.882 1.00 14.35 O ATOM 1005 CB GLU A 385 18.203 -6.806 15.780 1.00 54.30 C ATOM 1006 CG GLU A 385 19.257 -7.739 15.211 1.00 43.45 C ATOM 1007 CD GLU A 385 20.348 -8.055 16.178 1.00 24.22 C ATOM 1008 OE1 GLU A 385 20.082 -8.542 17.270 1.00 50.55 O ATOM 1009 OE2 GLU A 385 21.530 -7.834 15.832 1.00 45.20 O ATOM 1010 HA GLU A 385 17.721 -5.648 14.054 1.00 0.00 H ATOM 1011 HB2 GLU A 385 18.707 -5.942 16.214 1.00 0.00 H ATOM 1012 HB3 GLU A 385 17.659 -7.338 16.561 1.00 0.00 H ATOM 1013 HG2 GLU A 385 18.773 -8.671 14.918 1.00 0.00 H ATOM 1014 HG3 GLU A 385 19.698 -7.268 14.332 1.00 0.00 H ATOM 1015 H GLU A 385 16.068 -5.507 16.417 1.00 0.00 H ATOM 1016 N GLU A 386 15.496 -7.949 14.343 1.00 12.00 N ATOM 1017 CA GLU A 386 14.854 -9.078 13.728 1.00 55.23 C ATOM 1018 C GLU A 386 14.313 -8.624 12.377 1.00 32.22 C ATOM 1019 O GLU A 386 14.485 -9.297 11.358 1.00 13.43 O ATOM 1020 CB GLU A 386 13.766 -9.519 14.690 1.00 10.21 C ATOM 1021 CG GLU A 386 12.884 -10.669 14.298 1.00 33.44 C ATOM 1022 CD GLU A 386 11.950 -11.003 15.444 1.00 0.21 C ATOM 1023 OE1 GLU A 386 11.586 -10.053 16.216 1.00 63.13 O ATOM 1024 OE2 GLU A 386 11.593 -12.170 15.601 1.00 10.54 O ATOM 1025 HA GLU A 386 15.519 -9.921 13.541 1.00 0.00 H ATOM 1026 HB2 GLU A 386 14.255 -9.793 15.625 1.00 0.00 H ATOM 1027 HB3 GLU A 386 13.118 -8.659 14.859 1.00 0.00 H ATOM 1028 HG2 GLU A 386 12.299 -10.396 13.420 1.00 0.00 H ATOM 1029 HG3 GLU A 386 13.500 -11.538 14.066 1.00 0.00 H ATOM 1030 H GLU A 386 15.035 -7.500 15.160 1.00 0.00 H ATOM 1031 N ALA A 387 13.771 -7.418 12.372 1.00 65.30 N ATOM 1032 CA ALA A 387 13.260 -6.805 11.175 1.00 30.15 C ATOM 1033 C ALA A 387 14.397 -6.448 10.246 1.00 33.12 C ATOM 1034 O ALA A 387 14.382 -6.827 9.086 1.00 61.45 O ATOM 1035 CB ALA A 387 12.469 -5.564 11.510 1.00 11.44 C ATOM 1036 HA ALA A 387 12.602 -7.518 10.679 1.00 0.00 H ATOM 1037 HB1 ALA A 387 11.632 -5.831 12.156 1.00 0.00 H ATOM 1038 HB2 ALA A 387 13.114 -4.852 12.025 1.00 0.00 H ATOM 1039 HB3 ALA A 387 12.092 -5.116 10.591 1.00 0.00 H ATOM 1040 H ALA A 387 13.712 -6.893 13.268 1.00 0.00 H ATOM 1041 N VAL A 388 15.413 -5.754 10.774 1.00 23.01 N ATOM 1042 CA VAL A 388 16.547 -5.314 9.963 1.00 2.21 C ATOM 1043 C VAL A 388 17.232 -6.490 9.283 1.00 44.20 C ATOM 1044 O VAL A 388 17.613 -6.401 8.132 1.00 31.42 O ATOM 1045 CB VAL A 388 17.569 -4.456 10.762 1.00 53.14 C ATOM 1046 CG1 VAL A 388 18.662 -3.927 9.859 1.00 71.52 C ATOM 1047 CG2 VAL A 388 16.851 -3.308 11.429 1.00 21.43 C ATOM 1048 HA VAL A 388 16.135 -4.665 9.191 1.00 0.00 H ATOM 1049 HB VAL A 388 18.034 -5.088 11.519 1.00 0.00 H ATOM 1050 HG11 VAL A 388 19.191 -4.764 9.402 1.00 0.00 H ATOM 1051 HG12 VAL A 388 18.219 -3.306 9.080 1.00 0.00 H ATOM 1052 HG13 VAL A 388 19.361 -3.331 10.447 1.00 0.00 H ATOM 1053 HG21 VAL A 388 16.373 -2.690 10.669 1.00 0.00 H ATOM 1054 HG22 VAL A 388 16.095 -3.700 12.109 1.00 0.00 H ATOM 1055 HG23 VAL A 388 17.569 -2.708 11.988 1.00 0.00 H ATOM 1056 H VAL A 388 15.395 -5.522 11.788 1.00 0.00 H ATOM 1057 N THR A 389 17.312 -7.608 9.975 1.00 5.41 N ATOM 1058 CA THR A 389 17.893 -8.818 9.417 1.00 20.55 C ATOM 1059 C THR A 389 17.080 -9.315 8.193 1.00 63.40 C ATOM 1060 O THR A 389 17.663 -9.803 7.208 1.00 71.51 O ATOM 1061 CB THR A 389 18.001 -9.922 10.508 1.00 74.34 C ATOM 1062 OG1 THR A 389 18.823 -9.442 11.579 1.00 64.03 O ATOM 1063 CG2 THR A 389 18.606 -11.208 9.965 1.00 23.22 C ATOM 1064 HA THR A 389 18.899 -8.585 9.068 1.00 0.00 H ATOM 1065 HB THR A 389 16.992 -10.145 10.855 1.00 0.00 H ATOM 1066 HG1 THR A 389 18.415 -8.628 11.967 1.00 0.00 H ATOM 1067 HG23 THR A 389 17.988 -11.582 9.149 1.00 0.00 H ATOM 1068 HG21 THR A 389 19.613 -11.008 9.598 1.00 0.00 H ATOM 1069 HG22 THR A 389 18.649 -11.952 10.761 1.00 0.00 H ATOM 1070 H THR A 389 16.949 -7.625 10.949 1.00 0.00 H ATOM 1071 N ALA A 390 15.766 -9.126 8.227 1.00 71.54 N ATOM 1072 CA ALA A 390 14.910 -9.544 7.132 1.00 70.33 C ATOM 1073 C ALA A 390 15.145 -8.661 5.906 1.00 13.30 C ATOM 1074 O ALA A 390 15.120 -9.139 4.778 1.00 22.13 O ATOM 1075 CB ALA A 390 13.446 -9.529 7.551 1.00 61.15 C ATOM 1076 HA ALA A 390 15.165 -10.570 6.865 1.00 0.00 H ATOM 1077 HB1 ALA A 390 13.302 -10.211 8.389 1.00 0.00 H ATOM 1078 HB2 ALA A 390 13.165 -8.519 7.850 1.00 0.00 H ATOM 1079 HB3 ALA A 390 12.826 -9.846 6.712 1.00 0.00 H ATOM 1080 H ALA A 390 15.340 -8.668 9.058 1.00 0.00 H ATOM 1081 N LEU A 391 15.402 -7.371 6.131 1.00 44.42 N ATOM 1082 CA LEU A 391 15.708 -6.479 5.017 1.00 42.21 C ATOM 1083 C LEU A 391 17.144 -6.662 4.566 1.00 0.24 C ATOM 1084 O LEU A 391 17.471 -6.424 3.411 1.00 33.22 O ATOM 1085 CB LEU A 391 15.453 -4.981 5.304 1.00 61.14 C ATOM 1086 CG LEU A 391 14.014 -4.537 5.593 1.00 0.00 C ATOM 1087 CD1 LEU A 391 13.642 -4.741 7.032 1.00 71.42 C ATOM 1088 CD2 LEU A 391 13.783 -3.103 5.169 1.00 40.42 C ATOM 1089 HA LEU A 391 15.014 -6.766 4.227 1.00 0.00 H ATOM 1090 HB2 LEU A 391 16.056 -4.710 6.170 1.00 0.00 H ATOM 1091 HB3 LEU A 391 15.796 -4.421 4.434 1.00 0.00 H ATOM 1092 HG LEU A 391 13.360 -5.172 4.996 1.00 0.00 H ATOM 1093 HD21 LEU A 391 14.463 -2.450 5.715 1.00 0.00 H ATOM 1094 HD22 LEU A 391 13.967 -3.008 4.099 1.00 0.00 H ATOM 1095 HD23 LEU A 391 12.753 -2.822 5.389 1.00 0.00 H ATOM 1096 HD11 LEU A 391 13.730 -5.798 7.282 1.00 0.00 H ATOM 1097 HD12 LEU A 391 14.312 -4.160 7.665 1.00 0.00 H ATOM 1098 HD13 LEU A 391 12.615 -4.413 7.190 1.00 0.00 H ATOM 1099 H LEU A 391 15.384 -7.000 7.103 1.00 0.00 H ATOM 1100 N LYS A 392 18.009 -7.071 5.474 1.00 2.32 N ATOM 1101 CA LYS A 392 19.389 -7.285 5.127 1.00 55.04 C ATOM 1102 C LYS A 392 19.593 -8.502 4.264 1.00 43.24 C ATOM 1103 O LYS A 392 20.403 -8.469 3.321 1.00 13.24 O ATOM 1104 CB LYS A 392 20.315 -7.269 6.330 1.00 30.53 C ATOM 1105 CG LYS A 392 20.383 -5.896 6.947 1.00 55.45 C ATOM 1106 CD LYS A 392 21.524 -5.743 7.903 1.00 34.02 C ATOM 1107 CE LYS A 392 21.710 -4.279 8.240 1.00 20.34 C ATOM 1108 NZ LYS A 392 22.197 -3.477 7.078 1.00 42.12 N ATOM 1109 HA LYS A 392 19.672 -6.426 4.518 1.00 0.00 H ATOM 1110 HB2 LYS A 392 19.945 -7.975 7.073 1.00 0.00 H ATOM 1111 HB3 LYS A 392 21.315 -7.567 6.014 1.00 0.00 H ATOM 1112 HG2 LYS A 392 20.496 -5.161 6.150 1.00 0.00 H ATOM 1113 HG3 LYS A 392 19.452 -5.709 7.483 1.00 0.00 H ATOM 1114 HD2 LYS A 392 21.311 -6.301 8.815 1.00 0.00 H ATOM 1115 HD3 LYS A 392 22.435 -6.129 7.446 1.00 0.00 H ATOM 1116 HE2 LYS A 392 22.435 -4.197 9.049 1.00 0.00 H ATOM 1117 HE3 LYS A 392 20.754 -3.872 8.568 1.00 0.00 H ATOM 1118 HZ1 LYS A 392 23.114 -3.850 6.761 1.00 0.00 H ATOM 1119 HZ2 LYS A 392 21.508 -3.541 6.301 1.00 0.00 H ATOM 1120 HZ3 LYS A 392 22.306 -2.484 7.366 1.00 0.00 H ATOM 1121 H LYS A 392 17.691 -7.240 6.450 1.00 0.00 H ATOM 1122 N ASN A 393 18.833 -9.549 4.530 1.00 1.42 N ATOM 1123 CA ASN A 393 18.898 -10.767 3.746 1.00 31.20 C ATOM 1124 C ASN A 393 18.063 -10.642 2.488 1.00 10.25 C ATOM 1125 O ASN A 393 17.017 -11.258 2.334 1.00 54.41 O ATOM 1126 CB ASN A 393 18.498 -12.005 4.555 1.00 14.33 C ATOM 1127 CG ASN A 393 19.538 -12.428 5.575 1.00 54.33 C ATOM 1128 OD1 ASN A 393 20.431 -13.206 5.286 1.00 62.40 O ATOM 1129 ND2 ASN A 393 19.428 -11.930 6.772 1.00 20.45 N ATOM 1130 HA ASN A 393 19.940 -10.906 3.456 1.00 0.00 H ATOM 1131 HB2 ASN A 393 17.568 -11.787 5.081 1.00 0.00 H ATOM 1132 HB3 ASN A 393 18.338 -12.832 3.863 1.00 0.00 H ATOM 1133 HD22 ASN A 393 18.656 -11.268 6.991 1.00 0.00 H ATOM 1134 HD21 ASN A 393 20.112 -12.194 7.510 1.00 0.00 H ATOM 1135 H ASN A 393 18.167 -9.498 5.327 1.00 0.00 H ATOM 1136 N THR A 394 18.504 -9.762 1.648 1.00 62.14 N ATOM 1137 CA THR A 394 17.907 -9.491 0.375 1.00 2.34 C ATOM 1138 C THR A 394 19.021 -9.352 -0.627 1.00 40.11 C ATOM 1139 O THR A 394 20.112 -8.870 -0.270 1.00 65.24 O ATOM 1140 CB THR A 394 17.118 -8.158 0.404 1.00 52.33 C ATOM 1141 OG1 THR A 394 17.963 -7.106 0.931 1.00 23.24 O ATOM 1142 CG2 THR A 394 15.853 -8.269 1.246 1.00 40.52 C ATOM 1143 HA THR A 394 17.221 -10.299 0.119 1.00 0.00 H ATOM 1144 HB THR A 394 16.819 -7.922 -0.618 1.00 0.00 H ATOM 1145 HG1 THR A 394 18.247 -7.341 1.850 1.00 0.00 H ATOM 1146 HG23 THR A 394 15.220 -9.061 0.846 1.00 0.00 H ATOM 1147 HG21 THR A 394 16.123 -8.503 2.276 1.00 0.00 H ATOM 1148 HG22 THR A 394 15.314 -7.322 1.216 1.00 0.00 H ATOM 1149 H THR A 394 19.348 -9.216 1.915 1.00 0.00 H ATOM 1150 N SER A 395 18.791 -9.747 -1.833 1.00 25.32 N ATOM 1151 CA SER A 395 19.795 -9.604 -2.856 1.00 32.14 C ATOM 1152 C SER A 395 19.142 -9.247 -4.160 1.00 12.25 C ATOM 1153 O SER A 395 18.229 -9.941 -4.606 1.00 13.43 O ATOM 1154 CB SER A 395 20.620 -10.892 -3.008 1.00 60.02 C ATOM 1155 OG SER A 395 21.236 -11.265 -1.774 1.00 12.35 O ATOM 1156 HA SER A 395 20.475 -8.805 -2.562 1.00 0.00 H ATOM 1157 HB2 SER A 395 21.395 -10.731 -3.757 1.00 0.00 H ATOM 1158 HB3 SER A 395 19.963 -11.698 -3.335 1.00 0.00 H ATOM 1159 HG SER A 395 21.758 -12.096 -1.905 1.00 0.00 H ATOM 1160 H SER A 395 17.872 -10.173 -2.069 1.00 0.00 H ATOM 1161 N ASP A 396 19.543 -8.098 -4.670 1.00 15.42 N ATOM 1162 CA ASP A 396 19.197 -7.553 -6.001 1.00 71.43 C ATOM 1163 C ASP A 396 17.699 -7.360 -6.272 1.00 62.31 C ATOM 1164 O ASP A 396 17.318 -6.889 -7.332 1.00 3.23 O ATOM 1165 CB ASP A 396 19.859 -8.374 -7.122 1.00 10.44 C ATOM 1166 CG ASP A 396 21.377 -8.399 -7.021 1.00 20.21 C ATOM 1167 OD1 ASP A 396 21.908 -9.116 -6.121 1.00 42.24 O ATOM 1168 OD2 ASP A 396 22.041 -7.702 -7.812 1.00 42.22 O ATOM 1169 HA ASP A 396 19.604 -6.542 -5.994 1.00 0.00 H ATOM 1170 HB2 ASP A 396 19.490 -9.398 -7.068 1.00 0.00 H ATOM 1171 HB3 ASP A 396 19.581 -7.939 -8.082 1.00 0.00 H ATOM 1172 H ASP A 396 20.166 -7.516 -4.075 1.00 0.00 H ATOM 1173 N PHE A 397 16.860 -7.668 -5.317 1.00 63.01 N ATOM 1174 CA PHE A 397 15.442 -7.483 -5.467 1.00 60.23 C ATOM 1175 C PHE A 397 14.809 -7.488 -4.087 1.00 71.51 C ATOM 1176 O PHE A 397 15.191 -8.290 -3.225 1.00 71.33 O ATOM 1177 CB PHE A 397 14.834 -8.612 -6.333 1.00 72.33 C ATOM 1178 CG PHE A 397 13.404 -8.376 -6.761 1.00 41.34 C ATOM 1179 CD1 PHE A 397 12.337 -8.769 -5.962 1.00 5.22 C ATOM 1180 CD2 PHE A 397 13.135 -7.759 -7.970 1.00 2.12 C ATOM 1181 CE1 PHE A 397 11.034 -8.544 -6.364 1.00 74.03 C ATOM 1182 CE2 PHE A 397 11.837 -7.535 -8.377 1.00 70.54 C ATOM 1183 CZ PHE A 397 10.785 -7.926 -7.575 1.00 62.14 C ATOM 1184 HA PHE A 397 15.248 -6.534 -5.967 1.00 0.00 H ATOM 1185 HB2 PHE A 397 15.444 -8.719 -7.230 1.00 0.00 H ATOM 1186 HB3 PHE A 397 14.869 -9.538 -5.759 1.00 0.00 H ATOM 1187 HD2 PHE A 397 13.961 -7.446 -8.609 1.00 0.00 H ATOM 1188 HE2 PHE A 397 11.642 -7.049 -9.333 1.00 0.00 H ATOM 1189 HZ PHE A 397 9.759 -7.748 -7.896 1.00 0.00 H ATOM 1190 HE1 PHE A 397 10.205 -8.853 -5.728 1.00 0.00 H ATOM 1191 HD1 PHE A 397 12.530 -9.260 -5.008 1.00 0.00 H ATOM 1192 H PHE A 397 17.228 -8.057 -4.426 1.00 0.00 H ATOM 1193 N VAL A 398 13.915 -6.561 -3.861 1.00 53.35 N ATOM 1194 CA VAL A 398 13.182 -6.442 -2.621 1.00 21.11 C ATOM 1195 C VAL A 398 11.751 -6.028 -2.938 1.00 43.25 C ATOM 1196 O VAL A 398 11.531 -5.134 -3.750 1.00 14.24 O ATOM 1197 CB VAL A 398 13.785 -5.339 -1.695 1.00 34.41 C ATOM 1198 CG1 VAL A 398 13.030 -5.243 -0.382 1.00 43.11 C ATOM 1199 CG2 VAL A 398 15.264 -5.541 -1.443 1.00 41.11 C ATOM 1200 HA VAL A 398 13.232 -7.405 -2.113 1.00 0.00 H ATOM 1201 HB VAL A 398 13.672 -4.395 -2.228 1.00 0.00 H ATOM 1202 HG11 VAL A 398 11.987 -4.996 -0.581 1.00 0.00 H ATOM 1203 HG12 VAL A 398 13.085 -6.199 0.138 1.00 0.00 H ATOM 1204 HG13 VAL A 398 13.477 -4.465 0.237 1.00 0.00 H ATOM 1205 HG21 VAL A 398 15.421 -6.507 -0.963 1.00 0.00 H ATOM 1206 HG22 VAL A 398 15.800 -5.514 -2.392 1.00 0.00 H ATOM 1207 HG23 VAL A 398 15.632 -4.747 -0.794 1.00 0.00 H ATOM 1208 H VAL A 398 13.721 -5.871 -4.615 1.00 0.00 H ATOM 1209 N TYR A 399 10.806 -6.681 -2.337 1.00 52.52 N ATOM 1210 CA TYR A 399 9.420 -6.295 -2.440 1.00 45.33 C ATOM 1211 C TYR A 399 9.041 -5.700 -1.083 1.00 21.25 C ATOM 1212 O TYR A 399 8.764 -6.423 -0.127 1.00 54.20 O ATOM 1213 CB TYR A 399 8.566 -7.541 -2.745 1.00 43.43 C ATOM 1214 CG TYR A 399 7.089 -7.294 -3.013 1.00 12.02 C ATOM 1215 CD1 TYR A 399 6.635 -7.034 -4.299 1.00 32.53 C ATOM 1216 CD2 TYR A 399 6.147 -7.360 -1.987 1.00 4.32 C ATOM 1217 CE1 TYR A 399 5.291 -6.839 -4.559 1.00 24.23 C ATOM 1218 CE2 TYR A 399 4.801 -7.176 -2.238 1.00 53.23 C ATOM 1219 CZ TYR A 399 4.375 -6.913 -3.523 1.00 41.11 C ATOM 1220 OH TYR A 399 3.026 -6.755 -3.780 1.00 74.31 O ATOM 1221 HA TYR A 399 9.253 -5.573 -3.239 1.00 0.00 H ATOM 1222 HB3 TYR A 399 8.641 -8.213 -1.890 1.00 0.00 H ATOM 1223 HB2 TYR A 399 8.987 -8.026 -3.626 1.00 0.00 H ATOM 1224 HD2 TYR A 399 6.479 -7.560 -0.968 1.00 0.00 H ATOM 1225 HE2 TYR A 399 4.079 -7.238 -1.424 1.00 0.00 H ATOM 1226 HE1 TYR A 399 4.954 -6.628 -5.574 1.00 0.00 H ATOM 1227 HD1 TYR A 399 7.351 -6.983 -5.119 1.00 0.00 H ATOM 1228 HH TYR A 399 2.677 -5.996 -3.249 1.00 0.00 H ATOM 1229 H TYR A 399 11.055 -7.511 -1.762 1.00 0.00 H ATOM 1230 N LEU A 400 9.099 -4.418 -0.986 1.00 13.11 N ATOM 1231 CA LEU A 400 8.843 -3.724 0.252 1.00 61.33 C ATOM 1232 C LEU A 400 7.356 -3.462 0.411 1.00 33.12 C ATOM 1233 O LEU A 400 6.702 -2.963 -0.500 1.00 22.41 O ATOM 1234 CB LEU A 400 9.714 -2.439 0.307 1.00 32.44 C ATOM 1235 CG LEU A 400 9.584 -1.494 1.519 1.00 63.44 C ATOM 1236 CD1 LEU A 400 10.837 -0.651 1.628 1.00 40.12 C ATOM 1237 CD2 LEU A 400 8.409 -0.552 1.337 1.00 44.32 C ATOM 1238 HA LEU A 400 9.129 -4.340 1.105 1.00 0.00 H ATOM 1239 HB2 LEU A 400 10.755 -2.757 0.261 1.00 0.00 H ATOM 1240 HB3 LEU A 400 9.475 -1.854 -0.581 1.00 0.00 H ATOM 1241 HG LEU A 400 9.437 -2.100 2.413 1.00 0.00 H ATOM 1242 HD21 LEU A 400 8.559 0.045 0.437 1.00 0.00 H ATOM 1243 HD22 LEU A 400 7.491 -1.132 1.240 1.00 0.00 H ATOM 1244 HD23 LEU A 400 8.335 0.106 2.203 1.00 0.00 H ATOM 1245 HD11 LEU A 400 11.701 -1.302 1.761 1.00 0.00 H ATOM 1246 HD12 LEU A 400 10.959 -0.065 0.717 1.00 0.00 H ATOM 1247 HD13 LEU A 400 10.750 0.019 2.484 1.00 0.00 H ATOM 1248 H LEU A 400 9.339 -3.862 -1.831 1.00 0.00 H ATOM 1249 N LYS A 401 6.837 -3.822 1.557 1.00 15.44 N ATOM 1250 CA LYS A 401 5.446 -3.679 1.865 1.00 62.32 C ATOM 1251 C LYS A 401 5.309 -2.567 2.892 1.00 21.24 C ATOM 1252 O LYS A 401 5.722 -2.741 4.040 1.00 44.11 O ATOM 1253 CB LYS A 401 4.971 -4.967 2.487 1.00 40.14 C ATOM 1254 CG LYS A 401 3.507 -5.260 2.318 1.00 52.32 C ATOM 1255 CD LYS A 401 3.213 -5.811 0.933 1.00 3.44 C ATOM 1256 CE LYS A 401 1.796 -6.348 0.847 1.00 41.54 C ATOM 1257 NZ LYS A 401 1.531 -7.010 -0.452 1.00 1.24 N ATOM 1258 HA LYS A 401 4.866 -3.451 0.971 1.00 0.00 H ATOM 1259 HB2 LYS A 401 5.533 -5.786 2.037 1.00 0.00 H ATOM 1260 HB3 LYS A 401 5.185 -4.925 3.555 1.00 0.00 H ATOM 1261 HG2 LYS A 401 3.202 -5.993 3.065 1.00 0.00 H ATOM 1262 HG3 LYS A 401 2.941 -4.340 2.462 1.00 0.00 H ATOM 1263 HD2 LYS A 401 3.337 -5.015 0.199 1.00 0.00 H ATOM 1264 HD3 LYS A 401 3.913 -6.617 0.714 1.00 0.00 H ATOM 1265 HE2 LYS A 401 1.098 -5.520 0.969 1.00 0.00 H ATOM 1266 HE3 LYS A 401 1.644 -7.071 1.648 1.00 0.00 H ATOM 1267 HZ1 LYS A 401 1.667 -6.325 -1.223 1.00 0.00 H ATOM 1268 HZ2 LYS A 401 2.189 -7.806 -0.574 1.00 0.00 H ATOM 1269 HZ3 LYS A 401 0.552 -7.362 -0.467 1.00 0.00 H ATOM 1270 H LYS A 401 7.465 -4.231 2.278 1.00 0.00 H ATOM 1271 N VAL A 402 4.781 -1.440 2.474 1.00 5.15 N ATOM 1272 CA VAL A 402 4.611 -0.263 3.322 1.00 64.54 C ATOM 1273 C VAL A 402 3.113 0.126 3.452 1.00 51.15 C ATOM 1274 O VAL A 402 2.259 -0.186 2.560 1.00 72.31 O ATOM 1275 CB VAL A 402 5.465 0.973 2.783 1.00 1.13 C ATOM 1276 CG1 VAL A 402 5.207 1.249 1.325 1.00 61.42 C ATOM 1277 CG2 VAL A 402 5.202 2.245 3.566 1.00 62.40 C ATOM 1278 HA VAL A 402 4.983 -0.523 4.313 1.00 0.00 H ATOM 1279 HB VAL A 402 6.506 0.680 2.918 1.00 0.00 H ATOM 1280 HG11 VAL A 402 5.473 0.370 0.738 1.00 0.00 H ATOM 1281 HG12 VAL A 402 4.151 1.477 1.181 1.00 0.00 H ATOM 1282 HG13 VAL A 402 5.811 2.098 1.005 1.00 0.00 H ATOM 1283 HG21 VAL A 402 4.147 2.506 3.489 1.00 0.00 H ATOM 1284 HG22 VAL A 402 5.463 2.086 4.612 1.00 0.00 H ATOM 1285 HG23 VAL A 402 5.808 3.053 3.158 1.00 0.00 H ATOM 1286 H VAL A 402 4.466 -1.382 1.484 1.00 0.00 H ATOM 1287 N ALA A 403 2.807 0.710 4.579 1.00 22.20 N ATOM 1288 CA ALA A 403 1.552 1.313 4.898 1.00 20.02 C ATOM 1289 C ALA A 403 1.886 2.614 5.581 1.00 23.12 C ATOM 1290 O ALA A 403 2.995 2.779 6.067 1.00 31.44 O ATOM 1291 CB ALA A 403 0.734 0.439 5.828 1.00 71.12 C ATOM 1292 HA ALA A 403 0.954 1.457 3.998 1.00 0.00 H ATOM 1293 HB1 ALA A 403 0.543 -0.521 5.348 1.00 0.00 H ATOM 1294 HB2 ALA A 403 1.286 0.280 6.754 1.00 0.00 H ATOM 1295 HB3 ALA A 403 -0.213 0.931 6.048 1.00 0.00 H ATOM 1296 H ALA A 403 3.545 0.739 5.312 1.00 0.00 H ATOM 1297 N LYS A 404 0.992 3.536 5.590 1.00 63.41 N ATOM 1298 CA LYS A 404 1.248 4.776 6.286 1.00 63.34 C ATOM 1299 C LYS A 404 0.830 4.525 7.731 1.00 42.31 C ATOM 1300 O LYS A 404 0.018 3.608 7.963 1.00 0.12 O ATOM 1301 CB LYS A 404 0.441 5.930 5.641 1.00 2.41 C ATOM 1302 CG LYS A 404 0.337 5.876 4.095 1.00 44.22 C ATOM 1303 CD LYS A 404 1.685 5.844 3.314 1.00 42.11 C ATOM 1304 CE LYS A 404 2.405 7.202 3.202 1.00 63.30 C ATOM 1305 NZ LYS A 404 3.170 7.586 4.401 1.00 2.33 N ATOM 1306 HA LYS A 404 2.295 5.075 6.233 1.00 0.00 H ATOM 1307 HB2 LYS A 404 -0.570 5.905 6.049 1.00 0.00 H ATOM 1308 HB3 LYS A 404 0.919 6.871 5.915 1.00 0.00 H ATOM 1309 HG2 LYS A 404 -0.222 4.978 3.830 1.00 0.00 H ATOM 1310 HG3 LYS A 404 -0.216 6.757 3.768 1.00 0.00 H ATOM 1311 HD2 LYS A 404 2.353 5.147 3.820 1.00 0.00 H ATOM 1312 HD3 LYS A 404 1.483 5.484 2.305 1.00 0.00 H ATOM 1313 HE2 LYS A 404 1.656 7.971 3.015 1.00 0.00 H ATOM 1314 HE3 LYS A 404 3.094 7.154 2.359 1.00 0.00 H ATOM 1315 HZ1 LYS A 404 2.527 7.649 5.216 1.00 0.00 H ATOM 1316 HZ2 LYS A 404 3.900 6.870 4.589 1.00 0.00 H ATOM 1317 HZ3 LYS A 404 3.622 8.509 4.242 1.00 0.00 H ATOM 1318 H LYS A 404 0.087 3.391 5.098 1.00 0.00 H ATOM 1319 N PRO A 405 1.414 5.267 8.703 1.00 23.45 N ATOM 1320 CA PRO A 405 1.151 5.109 10.149 1.00 63.05 C ATOM 1321 C PRO A 405 -0.315 4.775 10.478 1.00 32.41 C ATOM 1322 O PRO A 405 -1.215 5.588 10.310 1.00 70.01 O ATOM 1323 CB PRO A 405 1.607 6.448 10.741 1.00 52.54 C ATOM 1324 CG PRO A 405 2.104 7.274 9.592 1.00 73.23 C ATOM 1325 CD PRO A 405 2.406 6.319 8.488 1.00 53.52 C ATOM 1326 HA PRO A 405 1.684 4.257 10.571 1.00 0.00 H ATOM 1327 HD3 PRO A 405 2.278 6.789 7.513 1.00 0.00 H ATOM 1328 HD2 PRO A 405 3.420 5.928 8.571 1.00 0.00 H ATOM 1329 HG3 PRO A 405 3.005 7.816 9.879 1.00 0.00 H ATOM 1330 HG2 PRO A 405 1.338 7.984 9.278 1.00 0.00 H ATOM 1331 HB2 PRO A 405 0.771 6.948 11.231 1.00 0.00 H ATOM 1332 HB3 PRO A 405 2.407 6.288 11.464 1.00 0.00 H ATOM 1333 N THR A 406 -0.529 3.551 10.920 1.00 20.40 N ATOM 1334 CA THR A 406 -1.864 3.006 11.032 1.00 64.20 C ATOM 1335 C THR A 406 -2.461 3.151 12.417 1.00 55.32 C ATOM 1336 O THR A 406 -3.647 3.456 12.560 1.00 45.42 O ATOM 1337 CB THR A 406 -1.861 1.535 10.584 1.00 10.41 C ATOM 1338 OG1 THR A 406 -1.134 1.434 9.341 1.00 1.24 O ATOM 1339 CG2 THR A 406 -3.283 1.023 10.365 1.00 53.24 C ATOM 1340 HA THR A 406 -2.506 3.591 10.373 1.00 0.00 H ATOM 1341 HB THR A 406 -1.392 0.933 11.362 1.00 0.00 H ATOM 1342 HG1 THR A 406 -1.576 1.995 8.655 1.00 0.00 H ATOM 1343 HG23 THR A 406 -3.841 1.095 11.298 1.00 0.00 H ATOM 1344 HG21 THR A 406 -3.772 1.627 9.600 1.00 0.00 H ATOM 1345 HG22 THR A 406 -3.247 -0.017 10.041 1.00 0.00 H ATOM 1346 H THR A 406 0.283 2.963 11.195 1.00 0.00 H ATOM 1347 N GLY A 407 -1.662 2.988 13.416 1.00 24.33 N ATOM 1348 CA GLY A 407 -2.169 3.052 14.747 1.00 33.44 C ATOM 1349 C GLY A 407 -1.801 4.345 15.384 1.00 31.41 C ATOM 1350 O GLY A 407 -1.627 4.440 16.592 1.00 43.13 O ATOM 1351 HA3 GLY A 407 -1.750 2.232 15.331 1.00 0.00 H ATOM 1352 HA2 GLY A 407 -3.255 2.960 14.722 1.00 0.00 H ATOM 1353 H GLY A 407 -0.651 2.810 13.251 1.00 0.00 H ATOM 1354 N SER A 408 -1.706 5.345 14.561 1.00 3.34 N ATOM 1355 CA SER A 408 -1.272 6.630 14.951 1.00 21.21 C ATOM 1356 C SER A 408 -1.716 7.649 13.896 1.00 13.11 C ATOM 1357 O SER A 408 -2.613 7.354 13.089 1.00 43.51 O ATOM 1358 CB SER A 408 0.244 6.579 15.107 1.00 63.24 C ATOM 1359 OG SER A 408 0.851 5.949 13.984 1.00 12.21 O ATOM 1360 HA SER A 408 -1.709 6.937 15.901 1.00 0.00 H ATOM 1361 HB2 SER A 408 0.491 6.018 16.008 1.00 0.00 H ATOM 1362 HB3 SER A 408 0.628 7.595 15.197 1.00 0.00 H ATOM 1363 HG SER A 408 0.508 5.024 13.901 1.00 0.00 H ATOM 1364 H SER A 408 -1.963 5.191 13.565 1.00 0.00 H ATOM 1365 N HIS A 409 -1.138 8.841 13.925 1.00 53.23 N ATOM 1366 CA HIS A 409 -1.465 9.878 12.961 1.00 10.32 C ATOM 1367 C HIS A 409 -0.923 9.486 11.590 1.00 33.25 C ATOM 1368 O HIS A 409 0.285 9.528 11.362 1.00 63.44 O ATOM 1369 CB HIS A 409 -0.867 11.233 13.396 1.00 21.13 C ATOM 1370 CG HIS A 409 -1.227 12.395 12.498 1.00 40.23 C ATOM 1371 ND1 HIS A 409 -0.638 12.640 11.273 1.00 33.13 N ATOM 1372 CD2 HIS A 409 -2.139 13.380 12.671 1.00 2.22 C ATOM 1373 CE1 HIS A 409 -1.194 13.737 10.757 1.00 44.23 C ATOM 1374 NE2 HIS A 409 -2.114 14.226 11.568 1.00 61.40 N ATOM 1375 HA HIS A 409 -2.549 9.982 12.909 1.00 0.00 H ATOM 1376 HB2 HIS A 409 -1.224 11.456 14.401 1.00 0.00 H ATOM 1377 HB3 HIS A 409 0.219 11.137 13.410 1.00 0.00 H ATOM 1378 HD2 HIS A 409 -2.790 13.492 13.538 1.00 0.00 H ATOM 1379 HE1 HIS A 409 -0.925 14.172 9.794 1.00 0.00 H ATOM 1380 H HIS A 409 -0.429 9.040 14.660 1.00 0.00 H ATOM 1381 N HIS A 410 -1.811 9.102 10.717 1.00 2.10 N ATOM 1382 CA HIS A 410 -1.457 8.700 9.370 1.00 12.30 C ATOM 1383 C HIS A 410 -1.034 9.875 8.507 1.00 22.54 C ATOM 1384 O HIS A 410 -1.615 10.959 8.577 1.00 41.44 O ATOM 1385 CB HIS A 410 -2.579 7.866 8.704 1.00 23.43 C ATOM 1386 CG HIS A 410 -3.969 8.413 8.867 1.00 4.52 C ATOM 1387 ND1 HIS A 410 -4.848 7.968 9.832 1.00 24.30 N ATOM 1388 CD2 HIS A 410 -4.634 9.365 8.168 1.00 61.31 C ATOM 1389 CE1 HIS A 410 -5.990 8.644 9.695 1.00 45.01 C ATOM 1390 NE2 HIS A 410 -5.916 9.505 8.700 1.00 62.13 N ATOM 1391 HA HIS A 410 -0.585 8.052 9.458 1.00 0.00 H ATOM 1392 HB2 HIS A 410 -2.364 7.804 7.637 1.00 0.00 H ATOM 1393 HB3 HIS A 410 -2.558 6.866 9.137 1.00 0.00 H ATOM 1394 HD2 HIS A 410 -4.232 9.930 7.327 1.00 0.00 H ATOM 1395 HE1 HIS A 410 -6.869 8.503 10.324 1.00 0.00 H ATOM 1396 H HIS A 410 -2.812 9.083 10.997 1.00 0.00 H ATOM 1397 N HIS A 411 -0.006 9.648 7.736 1.00 2.20 N ATOM 1398 CA HIS A 411 0.565 10.597 6.837 1.00 44.34 C ATOM 1399 C HIS A 411 1.431 9.751 5.934 1.00 52.11 C ATOM 1400 O HIS A 411 1.698 10.118 4.784 1.00 0.14 O ATOM 1401 CB HIS A 411 1.435 11.626 7.600 1.00 2.54 C ATOM 1402 CG HIS A 411 1.903 12.799 6.767 1.00 21.11 C ATOM 1403 ND1 HIS A 411 2.439 12.686 5.505 1.00 73.31 N ATOM 1404 CD2 HIS A 411 1.893 14.127 7.044 1.00 2.42 C ATOM 1405 CE1 HIS A 411 2.739 13.906 5.064 1.00 52.53 C ATOM 1406 NE2 HIS A 411 2.425 14.826 5.962 1.00 24.21 N ATOM 1407 HA HIS A 411 -0.188 11.172 6.299 1.00 0.00 H ATOM 1408 HB2 HIS A 411 0.850 12.013 8.434 1.00 0.00 H ATOM 1409 HB3 HIS A 411 2.315 11.109 7.984 1.00 0.00 H ATOM 1410 HD2 HIS A 411 1.527 14.576 7.967 1.00 0.00 H ATOM 1411 HE1 HIS A 411 3.184 14.119 4.092 1.00 0.00 H ATOM 1412 H HIS A 411 0.430 8.705 7.780 1.00 0.00 H TER 1413 HIS A 411 HETATM 1414 N PCA A 1 22.368 -8.636 18.526 1.00 0.27 N HETATM 1415 CA PCA A 1 22.512 -7.404 19.298 1.00 0.07 C HETATM 1416 CB PCA A 1 23.145 -7.761 20.633 1.00 0.02 C HETATM 1417 CG PCA A 1 23.293 -9.253 20.569 1.00 0.02 C HETATM 1418 CD PCA A 1 23.252 -9.629 19.096 1.00 0.08 C HETATM 1419 OE PCA A 1 24.281 -9.967 18.512 1.00 -0.35 O HETATM 1420 H9 PCA A 1 24.735 -10.623 19.027 1.00 0.22 H HETATM 1421 H8 PCA A 1 22.672 -10.563 19.065 1.00 0.12 H HETATM 1422 H6 PCA A 1 22.467 -9.740 21.108 1.00 0.03 H HETATM 1423 H7 PCA A 1 24.252 -9.559 21.013 1.00 0.03 H HETATM 1424 H4 PCA A 1 22.492 -7.467 21.468 1.00 0.03 H HETATM 1425 H5 PCA A 1 24.125 -7.274 20.745 1.00 0.03 H HETATM 1426 C PCA A 1 23.378 -6.404 18.531 1.00 0.23 C HETATM 1427 O PCA A 1 24.056 -5.537 19.119 1.00 -0.39 O HETATM 1428 N PCA A 1 23.275 -6.470 17.228 1.00 -0.26 N HETATM 1429 CA PCA A 1 24.057 -5.675 16.320 1.00 0.13 C HETATM 1430 C PCA A 1 23.206 -4.489 15.970 1.00 0.20 C HETATM 1431 O PCA A 1 23.599 -3.341 16.159 1.00 -0.39 O HETATM 1432 N PCA A 1 22.020 -4.784 15.485 1.00 -0.26 N HETATM 1433 CA PCA A 1 21.036 -3.781 15.278 1.00 0.16 C HETATM 1434 C PCA A 1 20.229 -3.748 16.571 1.00 0.21 C HETATM 1435 O PCA A 1 20.162 -4.760 17.277 1.00 -0.39 O HETATM 1436 N PCA A 1 19.653 -2.636 16.912 1.00 -0.26 N HETATM 1437 CA PCA A 1 19.195 -2.479 18.264 1.00 0.13 C HETATM 1438 C PCA A 1 18.070 -1.489 18.314 1.00 0.20 C HETATM 1439 O PCA A 1 17.808 -0.803 17.336 1.00 -0.39 O HETATM 1440 N PCA A 1 17.393 -1.454 19.415 1.00 -0.26 N HETATM 1441 CA PCA A 1 16.343 -0.515 19.639 1.00 0.13 C HETATM 1442 C PCA A 1 16.909 0.808 20.162 1.00 0.20 C HETATM 1443 O PCA A 1 17.990 0.831 20.742 1.00 -0.39 O HETATM 1444 N PCA A 1 16.141 1.881 19.976 1.00 -0.26 N HETATM 1445 CA PCA A 1 16.533 3.270 20.274 1.00 0.13 C HETATM 1446 C PCA A 1 17.647 3.766 19.369 1.00 0.20 C HETATM 1447 O PCA A 1 18.369 4.689 19.714 1.00 -0.39 O HETATM 1448 N PCA A 1 17.721 3.187 18.180 1.00 -0.26 N HETATM 1449 CA PCA A 1 18.655 3.633 17.157 1.00 0.15 C HETATM 1450 C PCA A 1 18.195 3.153 15.805 1.00 0.21 C HETATM 1451 O PCA A 1 17.608 2.063 15.714 1.00 -0.39 O HETATM 1452 N PCA A 1 18.391 3.939 14.772 1.00 -0.26 N HETATM 1453 CA PCA A 1 18.030 3.497 13.450 1.00 0.13 C HETATM 1454 C PCA A 1 19.232 2.823 12.819 1.00 0.20 C HETATM 1455 O PCA A 1 20.358 2.960 13.308 1.00 -0.39 O HETATM 1456 N PCA A 1 19.015 2.045 11.807 1.00 -0.26 N HETATM 1457 CA PCA A 1 20.104 1.395 11.138 1.00 0.16 C HETATM 1458 C PCA A 1 19.798 1.240 9.646 1.00 0.21 C HETATM 1459 O PCA A 1 18.642 1.001 9.259 1.00 -0.39 O HETATM 1460 N PCA A 1 20.815 1.447 8.823 1.00 -0.26 N HETATM 1461 CA PCA A 1 20.712 1.289 7.388 1.00 0.13 C HETATM 1462 C PCA A 1 20.590 -0.184 7.037 1.00 0.20 C HETATM 1463 O PCA A 1 21.266 -1.035 7.640 1.00 -0.39 O HETATM 1464 N PCA A 1 19.741 -0.473 6.093 1.00 -0.27 N HETATM 1465 CA PCA A 1 19.501 -1.814 5.642 1.00 0.10 C HETATM 1466 C PCA A 1 20.367 -2.178 4.440 1.00 0.06 C HETATM 1467 O PCA A 1 20.135 -1.651 3.314 1.00 -0.57 O HETATM 1468 OXT PCA A 1 21.296 -3.001 4.644 1.00 -0.57 O HETATM 1469 CB PCA A 1 18.000 -2.102 5.395 1.00 -0.01 C HETATM 1470 CG1 PCA A 1 17.287 -2.182 6.723 1.00 -0.06 C HETATM 1471 H94 PCA A 1 16.219 -2.387 6.554 1.00 0.02 H HETATM 1472 H95 PCA A 1 17.397 -1.226 7.257 1.00 0.02 H HETATM 1473 H96 PCA A 1 17.724 -2.991 7.326 1.00 0.02 H HETATM 1474 CG2 PCA A 1 17.363 -1.014 4.549 1.00 -0.06 C HETATM 1475 H97 PCA A 1 17.880 -0.953 3.580 1.00 0.02 H HETATM 1476 H98 PCA A 1 17.445 -0.049 5.070 1.00 0.02 H HETATM 1477 H99 PCA A 1 16.302 -1.252 4.384 1.00 0.02 H HETATM 1478 H93 PCA A 1 17.903 -3.064 4.871 1.00 0.03 H HETATM 1479 H92 PCA A 1 19.812 -2.478 6.462 1.00 0.07 H HETATM 1480 H91 PCA A 1 19.233 0.273 5.663 1.00 0.19 H HETATM 1481 CB PCA A 1 21.940 1.896 6.703 1.00 0.00 C HETATM 1482 CG PCA A 1 21.950 1.784 5.179 1.00 0.04 C HETATM 1483 CD PCA A 1 23.226 2.327 4.572 1.00 0.17 C HETATM 1484 OE1 PCA A 1 23.846 3.222 5.111 1.00 -0.40 O HETATM 1485 NE2 PCA A 1 23.619 1.800 3.445 1.00 -0.30 N HETATM 1486 H89 PCA A 1 24.456 2.126 3.006 1.00 0.18 H HETATM 1487 H90 PCA A 1 23.083 1.070 3.021 1.00 0.18 H HETATM 1488 H87 PCA A 1 21.098 2.351 4.777 1.00 0.05 H HETATM 1489 H88 PCA A 1 21.849 0.724 4.901 1.00 0.05 H HETATM 1490 H85 PCA A 1 22.834 1.384 7.089 1.00 0.03 H HETATM 1491 H86 PCA A 1 21.986 2.963 6.967 1.00 0.03 H HETATM 1492 H84 PCA A 1 19.812 1.815 7.035 1.00 0.08 H HETATM 1493 H83 PCA A 1 21.694 1.725 9.211 1.00 0.19 H HETATM 1494 CB PCA A 1 20.400 0.018 11.792 1.00 0.09 C HETATM 1495 OG1 PCA A 1 20.637 0.208 13.203 1.00 -0.39 O HETATM 1496 H79 PCA A 1 21.381 0.786 13.323 1.00 0.21 H HETATM 1497 CG2 PCA A 1 21.634 -0.642 11.177 1.00 -0.03 C HETATM 1498 H80 PCA A 1 21.812 -1.612 11.664 1.00 0.03 H HETATM 1499 H81 PCA A 1 22.509 0.008 11.324 1.00 0.03 H HETATM 1500 H82 PCA A 1 21.469 -0.797 10.101 1.00 0.03 H HETATM 1501 H78 PCA A 1 19.531 -0.641 11.649 1.00 0.06 H HETATM 1502 H77 PCA A 1 21.000 2.025 11.242 1.00 0.08 H HETATM 1503 H76 PCA A 1 18.079 1.896 11.489 1.00 0.19 H HETATM 1504 CB PCA A 1 17.492 4.645 12.551 1.00 -0.00 C HETATM 1505 CG PCA A 1 18.523 5.591 11.938 1.00 0.00 C HETATM 1506 CD PCA A 1 19.360 6.346 12.933 1.00 0.04 C HETATM 1507 OE1 PCA A 1 18.871 6.665 14.010 1.00 -0.57 O HETATM 1508 OE2 PCA A 1 20.516 6.668 12.598 1.00 -0.57 O HETATM 1509 H74 PCA A 1 17.988 6.324 11.316 1.00 0.04 H HETATM 1510 H75 PCA A 1 19.198 4.997 11.305 1.00 0.04 H HETATM 1511 H72 PCA A 1 16.808 5.252 13.162 1.00 0.03 H HETATM 1512 H73 PCA A 1 16.933 4.184 11.724 1.00 0.03 H HETATM 1513 H71 PCA A 1 17.227 2.751 13.549 1.00 0.08 H HETATM 1514 H70 PCA A 1 18.791 4.846 14.903 1.00 0.19 H HETATM 1515 CB PCA A 1 20.154 3.243 17.466 1.00 0.08 C HETATM 1516 CG PCA A 1 20.552 1.733 17.465 1.00 0.18 C HETATM 1517 OD1 PCA A 1 21.404 1.301 18.266 1.00 -0.40 O HETATM 1518 ND2 PCA A 1 20.035 0.944 16.560 1.00 -0.30 N HETATM 1519 H68 PCA A 1 20.279 -0.026 16.544 1.00 0.18 H HETATM 1520 H69 PCA A 1 19.396 1.310 15.883 1.00 0.18 H HETATM 1521 H66 PCA A 1 20.393 3.640 18.464 1.00 0.06 H HETATM 1522 H67 PCA A 1 20.780 3.743 16.713 1.00 0.06 H HETATM 1523 H65 PCA A 1 18.616 4.732 17.142 1.00 0.08 H HETATM 1524 H64 PCA A 1 17.115 2.418 17.979 1.00 0.19 H HETATM 1525 CB PCA A 1 16.843 3.537 21.767 1.00 -0.01 C HETATM 1526 CG PCA A 1 15.603 3.745 22.640 1.00 -0.02 C HETATM 1527 CD PCA A 1 14.790 2.479 22.829 1.00 0.06 C HETATM 1528 NE PCA A 1 15.496 1.495 23.667 1.00 -0.27 N HETATM 1529 CZ PCA A 1 14.901 0.503 24.347 1.00 0.29 C HETATM 1530 NH1 PCA A 1 13.573 0.343 24.274 1.00 -0.28 N HETATM 1531 H60 PCA A 1 13.117 -0.419 24.796 1.00 0.26 H HETATM 1532 H61 PCA A 1 13.008 0.982 23.696 1.00 0.26 H HETATM 1533 NH2 PCA A 1 15.635 -0.324 25.103 1.00 -0.28 N HETATM 1534 H62 PCA A 1 16.656 -0.201 25.159 1.00 0.26 H HETATM 1535 H63 PCA A 1 15.178 -1.083 25.628 1.00 0.26 H HETATM 1536 H59 PCA A 1 16.521 1.574 23.736 1.00 0.26 H HETATM 1537 H57 PCA A 1 14.594 2.031 21.843 1.00 0.07 H HETATM 1538 H58 PCA A 1 13.836 2.737 23.311 1.00 0.07 H HETATM 1539 H55 PCA A 1 14.964 4.504 22.165 1.00 0.03 H HETATM 1540 H56 PCA A 1 15.927 4.104 23.628 1.00 0.03 H HETATM 1541 H53 PCA A 1 17.466 4.441 21.833 1.00 0.03 H HETATM 1542 H54 PCA A 1 17.402 2.676 22.162 1.00 0.03 H HETATM 1543 H52 PCA A 1 15.652 3.884 20.038 1.00 0.08 H HETATM 1544 H51 PCA A 1 15.225 1.732 19.604 1.00 0.19 H HETATM 1545 CB PCA A 1 15.232 -1.081 20.560 1.00 0.00 C HETATM 1546 CG PCA A 1 15.703 -1.740 21.855 1.00 0.04 C HETATM 1547 CD PCA A 1 16.241 -3.147 21.665 1.00 0.17 C HETATM 1548 OE1 PCA A 1 17.425 -3.339 21.438 1.00 -0.40 O HETATM 1549 NE2 PCA A 1 15.375 -4.125 21.732 1.00 -0.30 N HETATM 1550 H49 PCA A 1 15.678 -5.071 21.614 1.00 0.18 H HETATM 1551 H50 PCA A 1 14.409 -3.927 21.902 1.00 0.18 H HETATM 1552 H47 PCA A 1 14.852 -1.785 22.551 1.00 0.05 H HETATM 1553 H48 PCA A 1 16.500 -1.119 22.290 1.00 0.05 H HETATM 1554 H45 PCA A 1 14.670 -1.832 19.986 1.00 0.03 H HETATM 1555 H46 PCA A 1 14.563 -0.250 20.830 1.00 0.03 H HETATM 1556 H44 PCA A 1 15.877 -0.308 18.664 1.00 0.08 H HETATM 1557 H43 PCA A 1 17.614 -2.110 20.137 1.00 0.19 H HETATM 1558 CB PCA A 1 20.403 -1.948 19.029 1.00 -0.01 C HETATM 1559 CG PCA A 1 20.338 -1.893 20.537 1.00 -0.02 C HETATM 1560 CD PCA A 1 21.673 -1.381 21.059 1.00 0.06 C HETATM 1561 NE PCA A 1 22.798 -2.215 20.557 1.00 -0.27 N HETATM 1562 CZ PCA A 1 23.704 -1.831 19.619 1.00 0.29 C HETATM 1563 NH1 PCA A 1 23.636 -0.604 19.067 1.00 -0.28 N HETATM 1564 H39 PCA A 1 24.326 -0.320 18.357 1.00 0.26 H HETATM 1565 H40 PCA A 1 22.894 0.050 19.355 1.00 0.26 H HETATM 1566 NH2 PCA A 1 24.614 -2.709 19.174 1.00 -0.28 N HETATM 1567 H41 PCA A 1 24.671 -3.649 19.592 1.00 0.26 H HETATM 1568 H42 PCA A 1 25.257 -2.444 18.414 1.00 0.26 H HETATM 1569 H38 PCA A 1 22.899 -3.161 20.953 1.00 0.26 H HETATM 1570 H36 PCA A 1 21.665 -1.412 22.159 1.00 0.07 H HETATM 1571 H37 PCA A 1 21.817 -0.344 20.723 1.00 0.07 H HETATM 1572 H34 PCA A 1 20.144 -2.899 20.937 1.00 0.03 H HETATM 1573 H35 PCA A 1 19.532 -1.213 20.849 1.00 0.03 H HETATM 1574 H32 PCA A 1 20.586 -0.923 18.675 1.00 0.03 H HETATM 1575 H33 PCA A 1 21.260 -2.585 18.765 1.00 0.03 H HETATM 1576 H31 PCA A 1 18.862 -3.442 18.679 1.00 0.08 H HETATM 1577 H30 PCA A 1 19.530 -1.901 16.245 1.00 0.19 H HETATM 1578 CB PCA A 1 20.194 -4.040 13.993 1.00 0.09 C HETATM 1579 OG1 PCA A 1 21.089 -4.425 12.940 1.00 -0.39 O HETATM 1580 H26 PCA A 1 20.592 -4.587 12.147 1.00 0.21 H HETATM 1581 CG2 PCA A 1 19.556 -2.749 13.586 1.00 -0.03 C HETATM 1582 H27 PCA A 1 18.955 -2.907 12.679 1.00 0.03 H HETATM 1583 H28 PCA A 1 20.337 -2.002 13.382 1.00 0.03 H HETATM 1584 H29 PCA A 1 18.907 -2.389 14.398 1.00 0.03 H HETATM 1585 H25 PCA A 1 19.436 -4.817 14.171 1.00 0.06 H HETATM 1586 H24 PCA A 1 21.534 -2.809 15.150 1.00 0.08 H HETATM 1587 H23 PCA A 1 21.806 -5.734 15.257 1.00 0.19 H HETATM 1588 CB PCA A 1 24.317 -6.512 15.084 1.00 -0.01 C HETATM 1589 CG PCA A 1 24.835 -7.904 15.412 1.00 -0.02 C HETATM 1590 CD PCA A 1 24.602 -8.842 14.247 1.00 0.06 C HETATM 1591 NE PCA A 1 23.153 -8.953 13.997 1.00 -0.27 N HETATM 1592 CZ PCA A 1 22.555 -9.509 12.948 1.00 0.29 C HETATM 1593 NH1 PCA A 1 23.271 -10.062 11.966 1.00 -0.28 N HETATM 1594 H19 PCA A 1 22.794 -10.489 11.159 1.00 0.26 H HETATM 1595 H20 PCA A 1 24.300 -10.061 12.015 1.00 0.26 H HETATM 1596 NH2 PCA A 1 21.230 -9.494 12.889 1.00 -0.28 N HETATM 1597 H21 PCA A 1 20.685 -9.065 13.651 1.00 0.26 H HETATM 1598 H22 PCA A 1 20.746 -9.911 12.081 1.00 0.26 H HETATM 1599 H18 PCA A 1 22.534 -8.554 14.717 1.00 0.26 H HETATM 1600 H16 PCA A 1 25.011 -9.835 14.486 1.00 0.07 H HETATM 1601 H17 PCA A 1 25.101 -8.446 13.350 1.00 0.07 H HETATM 1602 H14 PCA A 1 24.307 -8.288 16.297 1.00 0.03 H HETATM 1603 H15 PCA A 1 25.913 -7.849 15.623 1.00 0.03 H HETATM 1604 H12 PCA A 1 25.064 -5.997 14.462 1.00 0.03 H HETATM 1605 H13 PCA A 1 23.376 -6.611 14.522 1.00 0.03 H HETATM 1606 H11 PCA A 1 25.005 -5.357 16.778 1.00 0.08 H HETATM 1607 H10 PCA A 1 22.613 -7.112 16.841 1.00 0.19 H HETATM 1608 H3 PCA A 1 21.521 -6.959 19.471 1.00 0.11 H HETATM 1609 H1 PCA A 1 22.618 -8.468 17.564 1.00 0.21 H HETATM 1610 H2 PCA A 1 21.415 -8.960 18.574 1.00 0.21 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1414 1415 1418 1609 1610 CONECT 1415 1414 1416 1426 1608 CONECT 1416 1415 1417 1424 1425 CONECT 1417 1416 1418 1422 1423 CONECT 1418 1414 1417 1419 1421 CONECT 1419 1418 1420 CONECT 1420 1419 CONECT 1421 1418 CONECT 1422 1417 CONECT 1423 1417 CONECT 1424 1416 CONECT 1425 1416 CONECT 1426 1415 1427 1428 CONECT 1427 1426 CONECT 1428 1426 1429 1607 CONECT 1429 1428 1430 1588 1606 CONECT 1430 1429 1431 1432 CONECT 1431 1430 CONECT 1432 1430 1433 1587 CONECT 1433 1432 1434 1578 1586 CONECT 1434 1433 1435 1436 CONECT 1435 1434 CONECT 1436 1434 1437 1577 CONECT 1437 1436 1438 1558 1576 CONECT 1438 1437 1439 1440 CONECT 1439 1438 CONECT 1440 1438 1441 1557 CONECT 1441 1440 1442 1545 1556 CONECT 1442 1441 1443 1444 CONECT 1443 1442 CONECT 1444 1442 1445 1544 CONECT 1445 1444 1446 1525 1543 CONECT 1446 1445 1447 1448 CONECT 1447 1446 CONECT 1448 1446 1449 1524 CONECT 1449 1448 1450 1515 1523 CONECT 1450 1449 1451 1452 CONECT 1451 1450 CONECT 1452 1450 1453 1514 CONECT 1453 1452 1454 1504 1513 CONECT 1454 1453 1455 1456 CONECT 1455 1454 CONECT 1456 1454 1457 1503 CONECT 1457 1456 1458 1494 1502 CONECT 1458 1457 1459 1460 CONECT 1459 1458 CONECT 1460 1458 1461 1493 CONECT 1461 1460 1462 1481 1492 CONECT 1462 1461 1463 1464 CONECT 1463 1462 CONECT 1464 1462 1465 1480 CONECT 1465 1464 1466 1469 1479 CONECT 1466 1465 1467 1468 CONECT 1467 1466 CONECT 1468 1466 CONECT 1469 1465 1470 1474 1478 CONECT 1470 1469 1471 1472 1473 CONECT 1471 1470 CONECT 1472 1470 CONECT 1473 1470 CONECT 1474 1469 1475 1476 1477 CONECT 1475 1474 CONECT 1476 1474 CONECT 1477 1474 CONECT 1478 1469 CONECT 1479 1465 CONECT 1480 1464 CONECT 1481 1461 1482 1490 1491 CONECT 1482 1481 1483 1488 1489 CONECT 1483 1482 1484 1485 CONECT 1484 1483 CONECT 1485 1483 1486 1487 CONECT 1486 1485 CONECT 1487 1485 CONECT 1488 1482 CONECT 1489 1482 CONECT 1490 1481 CONECT 1491 1481 CONECT 1492 1461 CONECT 1493 1460 CONECT 1494 1457 1495 1497 1501 CONECT 1495 1494 1496 CONECT 1496 1495 CONECT 1497 1494 1498 1499 1500 CONECT 1498 1497 CONECT 1499 1497 CONECT 1500 1497 CONECT 1501 1494 CONECT 1502 1457 CONECT 1503 1456 CONECT 1504 1453 1505 1511 1512 CONECT 1505 1504 1506 1509 1510 CONECT 1506 1505 1507 1508 CONECT 1507 1506 CONECT 1508 1506 CONECT 1509 1505 CONECT 1510 1505 CONECT 1511 1504 CONECT 1512 1504 CONECT 1513 1453 CONECT 1514 1452 CONECT 1515 1449 1516 1521 1522 CONECT 1516 1515 1517 1518 CONECT 1517 1516 CONECT 1518 1516 1519 1520 CONECT 1519 1518 CONECT 1520 1518 CONECT 1521 1515 CONECT 1522 1515 CONECT 1523 1449 CONECT 1524 1448 CONECT 1525 1445 1526 1541 1542 CONECT 1526 1525 1527 1539 1540 CONECT 1527 1526 1528 1537 1538 CONECT 1528 1527 1529 1536 CONECT 1529 1528 1530 1533 CONECT 1530 1529 1531 1532 CONECT 1531 1530 CONECT 1532 1530 CONECT 1533 1529 1534 1535 CONECT 1534 1533 CONECT 1535 1533 CONECT 1536 1528 CONECT 1537 1527 CONECT 1538 1527 CONECT 1539 1526 CONECT 1540 1526 CONECT 1541 1525 CONECT 1542 1525 CONECT 1543 1445 CONECT 1544 1444 CONECT 1545 1441 1546 1554 1555 CONECT 1546 1545 1547 1552 1553 CONECT 1547 1546 1548 1549 CONECT 1548 1547 CONECT 1549 1547 1550 1551 CONECT 1550 1549 CONECT 1551 1549 CONECT 1552 1546 CONECT 1553 1546 CONECT 1554 1545 CONECT 1555 1545 CONECT 1556 1441 CONECT 1557 1440 CONECT 1558 1437 1559 1574 1575 CONECT 1559 1558 1560 1572 1573 CONECT 1560 1559 1561 1570 1571 CONECT 1561 1560 1562 1569 CONECT 1562 1561 1563 1566 CONECT 1563 1562 1564 1565 CONECT 1564 1563 CONECT 1565 1563 CONECT 1566 1562 1567 1568 CONECT 1567 1566 CONECT 1568 1566 CONECT 1569 1561 CONECT 1570 1560 CONECT 1571 1560 CONECT 1572 1559 CONECT 1573 1559 CONECT 1574 1558 CONECT 1575 1558 CONECT 1576 1437 CONECT 1577 1436 CONECT 1578 1433 1579 1581 1585 CONECT 1579 1578 1580 CONECT 1580 1579 CONECT 1581 1578 1582 1583 1584 CONECT 1582 1581 CONECT 1583 1581 CONECT 1584 1581 CONECT 1585 1578 CONECT 1586 1433 CONECT 1587 1432 CONECT 1588 1429 1589 1604 1605 CONECT 1589 1588 1590 1602 1603 CONECT 1590 1589 1591 1600 1601 CONECT 1591 1590 1592 1599 CONECT 1592 1591 1593 1596 CONECT 1593 1592 1594 1595 CONECT 1594 1593 CONECT 1595 1593 CONECT 1596 1592 1597 1598 CONECT 1597 1596 CONECT 1598 1596 CONECT 1599 1591 CONECT 1600 1590 CONECT 1601 1590 CONECT 1602 1589 CONECT 1603 1589 CONECT 1604 1588 CONECT 1605 1588 CONECT 1606 1429 CONECT 1607 1428 CONECT 1608 1415 CONECT 1609 1414 CONECT 1610 1414 MASTER 0 0 0 0 0 0 0 0 1609 1 201 8 END
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PDBbind
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PDBbind
11-mer
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11-mer
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11-mer
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PDBbind
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PDBbind
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Entry Information
PDB ID
2m3m
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Disks large homolog 1
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=9.63uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Plos One Vol. 8: pp. e62584-e62584
Ligand Properties
Formula
C
5
5
H
1
0
1
N
2
3
O
2
0
Molecular Weight
1404.530
Exact Mass
1403.760
No. of atoms
199
No. of bonds
199
Polar Surface Area
770.2
LOGP Value
-5.00 (
Computed with XLOGP3
)
-7.16 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 17
No. of Hydrogen Bond Acceptors: 20
No. of Rotatable Bonds: 58
No. of Nitrogen and Oxygen Atoms: 43
No. of Rings: 1
Canonical SMILES
NC(=O)CC[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)C(C)C)CCC(=O)N)[C@H](O)C)CCC(=O)O)CC(=O)N)CCC[NH+]=C(N)N)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]1CC[C@@H]([NH2+]1)O)CCC[NH+]=C(N)N)CCC[NH+]=C(N)N
InChI String
InChI=1S/C55H97N23O20/c1-23(2)39(52(97)98)76-47(92)31(12-16-35(57)82)74-51(96)41(25(4)80)78-48(93)32(14-18-38(85)86)72-49(94)33(22-36(58)83)75-43(88)26(8-5-19-65-53(59)60)69-45(90)30(11-15-34(56)81)71-42(87)27(9-6-20-66-54(61)62)73-50(95)40(24(3)79)77-46(91)28(10-7-21-67-55(63)64)70-44(89)29-13-17-37(84)68-29/h23-33,37,39-41,68,79-80,84H,5-22H2,1-4H3,(H2,56,81)(H2,57,82)(H2,58,83)(H,69,90)(H,70,89)(H,71,87)(H,72,94)(H,73,95)(H,74,96)(H,75,88)(H,76,92)(H,77,91)(H,78,93)(H,85,86)(H,97,98)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/p+4/t24-,25-,26+,27+,28+,29+,30+,31+,32+,33+,37+,39+,40+,41+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P26554
Q12959
Entrez Gene ID
NCBI Entrez Gene ID:
1739
ASD
Information of known allosteric effects of PDB entries
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