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ID	2467	NAME	Enterocin SE-K4   Blast NCBI-PROT
LENGTH	43	DISULFIDE BRIDGE			View PDB REMARK YASARA ************************************************************* REMARK YASARA * * REMARK YASARA * Y A S A R A * REMARK YASARA * * REMARK YASARA * Yet Another Scientific Artificial Reality Application * REMARK YASARA * * REMARK YASARA * MOLECULE STRUCTURE FILE, PDB FORMAT * REMARK YASARA * * REMARK YASARA * Just use YASARA every day to make your questions go away! * REMARK YASARA * * REMARK YASARA * www.YASARA.org * REMARK YASARA * * REMARK YASARA ************************************************************* REMARK YASARA REMARK YASARA Original filename: C:\Users\federica\Favorites\Dropbox\lab13\Lucia\pdb_yadamp\pdb_HM_final\NGVYCNKQKCWVDWSRARSEIIDRGVKAYVNGFTKVLGGIGGR.pdb REMARK YASARA Written on: Wed May 14 20:18:59 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 676 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: TYPE IIA BACTERIOCIN CARNOBACTERIOCIN B2; COMPND 3 CHAIN: A; SEQRES 1 A 43 ASN GLY VAL TYR CYS ASN LYS GLN LYS CYS TRP VAL ASP SEQRES 2 A 43 TRP SER ARG ALA ARG SER GLU ILE ILE ASP ARG GLY VAL SEQRES 3 A 43 LYS ALA TYR VAL ASN GLY PHE THR LYS VAL LEU GLY GLY SEQRES 4 A 43 ILE GLY GLY ARG CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 SSBOND 1 CYS A 5 CYS A 10 2.03 ATOM 1 N ASN A 1 -2.144 -41.139 -2.440 1.00-21.63 N ATOM 2 1H ASN A 1 -1.795 -41.853 -1.811 1.00-21.63 H ATOM 3 2H ASN A 1 -3.146 -41.226 -2.517 1.00-21.63 H ATOM 4 3H ASN A 1 -1.901 -40.232 -2.069 1.00-21.63 H ATOM 5 CA ASN A 1 -1.521 -41.317 -3.777 1.00-21.63 C ATOM 6 HA ASN A 1 -1.754 -42.320 -4.131 1.00-21.63 H ATOM 7 C ASN A 1 -0.023 -41.180 -3.636 1.00-21.63 C ATOM 8 O ASN A 1 0.401 -40.689 -2.604 1.00-21.63 O ATOM 9 CB ASN A 1 -2.084 -40.289 -4.767 1.00-21.63 C ATOM 10 1HB ASN A 1 -3.161 -40.212 -4.621 1.00-21.63 H ATOM 11 2HB ASN A 1 -1.633 -39.316 -4.572 1.00-21.63 H ATOM 12 CG ASN A 1 -1.832 -40.678 -6.205 1.00-21.63 C ATOM 13 OD1 ASN A 1 -1.379 -41.777 -6.478 1.00-21.63 O ATOM 14 ND2 ASN A 1 -2.104 -39.792 -7.126 1.00-21.63 N ATOM 15 1HD2 ASN A 1 -1.943 -40.039 -8.090 1.00-21.63 H ATOM 16 2HD2 ASN A 1 -2.459 -38.882 -6.884 1.00-21.63 H ATOM 17 N GLY A 2 0.772 -41.573 -4.625 1.00 18.36 N ATOM 18 H GLY A 2 0.371 -41.977 -5.468 1.00 18.36 H ATOM 19 CA GLY A 2 2.214 -41.388 -4.543 1.00 18.36 C ATOM 20 1HA GLY A 2 2.676 -41.717 -5.474 1.00 18.36 H ATOM 21 2HA GLY A 2 2.421 -40.325 -4.414 1.00 18.36 H ATOM 22 C GLY A 2 2.856 -42.131 -3.390 1.00 18.36 C ATOM 23 O GLY A 2 3.408 -41.492 -2.508 1.00 18.36 O ATOM 24 N VAL A 3 2.722 -43.454 -3.379 1.00 12.10 N ATOM 25 H VAL A 3 2.236 -43.885 -4.153 1.00 12.10 H ATOM 26 CA VAL A 3 3.217 -44.367 -2.325 1.00 12.10 C ATOM 27 HA VAL A 3 3.117 -45.371 -2.722 1.00 12.10 H ATOM 28 C VAL A 3 2.348 -44.345 -1.064 1.00 12.10 C ATOM 29 O VAL A 3 2.047 -45.397 -0.498 1.00 12.10 O ATOM 30 CB VAL A 3 4.747 -44.191 -2.005 1.00 12.10 C ATOM 31 HB VAL A 3 4.917 -43.213 -1.563 1.00 12.10 H ATOM 32 CG1 VAL A 3 5.238 -45.243 -1.013 1.00 12.10 C ATOM 33 1HG1 VAL A 3 6.312 -45.130 -0.850 1.00 12.10 H ATOM 34 2HG1 VAL A 3 5.026 -46.235 -1.392 1.00 12.10 H ATOM 35 3HG1 VAL A 3 4.739 -45.106 -0.052 1.00 12.10 H ATOM 36 CG2 VAL A 3 5.580 -44.298 -3.300 1.00 12.10 C ATOM 37 1HG2 VAL A 3 6.642 -44.243 -3.058 1.00 12.10 H ATOM 38 2HG2 VAL A 3 5.344 -43.463 -3.959 1.00 12.10 H ATOM 39 3HG2 VAL A 3 5.371 -45.235 -3.812 1.00 12.10 H ATOM 40 N TYR A 4 1.862 -43.178 -0.670 1.00 -7.84 N ATOM 41 H TYR A 4 2.142 -42.338 -1.170 1.00 -7.84 H ATOM 42 CA TYR A 4 0.961 -43.033 0.474 1.00 -7.84 C ATOM 43 HA TYR A 4 1.313 -43.688 1.271 1.00 -7.84 H ATOM 44 C TYR A 4 -0.481 -43.429 0.136 1.00 -7.84 C ATOM 45 O TYR A 4 -1.351 -42.567 -0.030 1.00 -7.84 O ATOM 46 CB TYR A 4 1.016 -41.590 0.979 1.00 -7.84 C ATOM 47 1HB TYR A 4 0.643 -40.923 0.202 1.00 -7.84 H ATOM 48 2HB TYR A 4 0.377 -41.497 1.857 1.00 -7.84 H ATOM 49 CG TYR A 4 2.420 -41.159 1.343 1.00 -7.84 C ATOM 50 CD1 TYR A 4 3.167 -40.333 0.478 1.00 -7.84 C ATOM 51 HD1 TYR A 4 2.729 -39.984 -0.448 1.00 -7.84 H ATOM 52 CD2 TYR A 4 3.018 -41.589 2.546 1.00 -7.84 C ATOM 53 HD2 TYR A 4 2.466 -42.218 3.230 1.00 -7.84 H ATOM 54 CE1 TYR A 4 4.500 -39.960 0.797 1.00 -7.84 C ATOM 55 HE1 TYR A 4 5.064 -39.338 0.119 1.00 -7.84 H ATOM 56 CE2 TYR A 4 4.352 -41.215 2.868 1.00 -7.84 C ATOM 57 HE2 TYR A 4 4.809 -41.555 3.785 1.00 -7.84 H ATOM 58 CZ TYR A 4 5.078 -40.410 1.988 1.00 -7.84 C ATOM 59 OH TYR A 4 6.368 -40.059 2.296 1.00 -7.84 O ATOM 60 HH TYR A 4 6.770 -39.514 1.619 1.00 -7.84 H ATOM 61 N CYS A 5 -0.699 -44.733 -0.009 1.00 42.21 N ATOM 62 H CYS A 5 0.100 -45.350 0.108 1.00 42.21 H ATOM 63 CA CYS A 5 -1.973 -45.345 -0.411 1.00 42.21 C ATOM 64 HA CYS A 5 -1.822 -46.421 -0.439 1.00 42.21 H ATOM 65 C CYS A 5 -2.401 -44.918 -1.817 1.00 42.21 C ATOM 66 O CYS A 5 -1.785 -44.061 -2.436 1.00 42.21 O ATOM 67 CB CYS A 5 -3.081 -45.071 0.619 1.00 42.21 C ATOM 68 1HB CYS A 5 -3.171 -43.996 0.775 1.00 42.21 H ATOM 69 2HB CYS A 5 -4.032 -45.436 0.236 1.00 42.21 H ATOM 70 SG CYS A 5 -2.771 -45.874 2.223 1.00 42.21 S ATOM 71 N ASN A 6 -3.455 -45.511 -2.362 1.00 31.56 N ATOM 72 H ASN A 6 -3.964 -46.229 -1.856 1.00 31.56 H ATOM 73 CA ASN A 6 -3.948 -45.080 -3.670 1.00 31.56 C ATOM 74 HA ASN A 6 -3.096 -44.859 -4.313 1.00 31.56 H ATOM 75 C ASN A 6 -4.713 -43.773 -3.440 1.00 31.56 C ATOM 76 O ASN A 6 -4.415 -42.755 -4.063 1.00 31.56 O ATOM 77 CB ASN A 6 -4.771 -46.200 -4.345 1.00 31.56 C ATOM 78 1HB ASN A 6 -4.307 -46.418 -5.302 1.00 31.56 H ATOM 79 2HB ASN A 6 -4.736 -47.103 -3.738 1.00 31.56 H ATOM 80 CG ASN A 6 -6.220 -45.834 -4.610 1.00 31.56 C ATOM 81 OD1 ASN A 6 -7.073 -45.885 -3.723 1.00 31.56 O ATOM 82 ND2 ASN A 6 -6.517 -45.484 -5.829 1.00 31.56 N ATOM 83 1HD2 ASN A 6 -7.471 -45.266 -6.057 1.00 31.56 H ATOM 84 2HD2 ASN A 6 -5.799 -45.450 -6.535 1.00 31.56 H ATOM 85 N LYS A 7 -5.627 -43.811 -2.476 1.00 10.11 N ATOM 86 H LYS A 7 -5.726 -44.689 -1.981 1.00 10.11 H ATOM 87 CA LYS A 7 -6.525 -42.713 -2.085 1.00 10.11 C ATOM 88 HA LYS A 7 -5.951 -41.898 -1.642 1.00 10.11 H ATOM 89 C LYS A 7 -7.496 -43.270 -1.045 1.00 10.11 C ATOM 90 O LYS A 7 -7.623 -42.735 0.038 1.00 10.11 O ATOM 91 CB LYS A 7 -7.370 -42.188 -3.266 1.00 10.11 C ATOM 92 1HB LYS A 7 -6.728 -41.925 -4.103 1.00 10.11 H ATOM 93 2HB LYS A 7 -8.031 -42.986 -3.599 1.00 10.11 H ATOM 94 CG LYS A 7 -8.221 -40.963 -2.929 1.00 10.11 C ATOM 95 1HG LYS A 7 -8.656 -41.090 -1.941 1.00 10.11 H ATOM 96 2HG LYS A 7 -7.598 -40.069 -2.923 1.00 10.11 H ATOM 97 CD LYS A 7 -9.360 -40.809 -3.929 1.00 10.11 C ATOM 98 1HD LYS A 7 -8.959 -40.634 -4.928 1.00 10.11 H ATOM 99 2HD LYS A 7 -9.933 -41.737 -3.936 1.00 10.11 H ATOM 100 CE LYS A 7 -10.293 -39.670 -3.530 1.00 10.11 C ATOM 101 1HE LYS A 7 -10.482 -39.730 -2.456 1.00 10.11 H ATOM 102 2HE LYS A 7 -9.819 -38.711 -3.752 1.00 10.11 H ATOM 103 NZ LYS A 7 -11.607 -39.788 -4.252 1.00 10.11 N ATOM 104 1HZ LYS A 7 -12.210 -39.018 -4.000 1.00 10.11 H ATOM 105 2HZ LYS A 7 -12.057 -40.660 -3.978 1.00 10.11 H ATOM 106 3HZ LYS A 7 -11.460 -39.789 -5.252 1.00 10.11 H ATOM 107 N GLN A 8 -8.190 -44.343 -1.408 1.00 -2.82 N ATOM 108 H GLN A 8 -8.025 -44.739 -2.330 1.00 -2.82 H ATOM 109 CA GLN A 8 -9.240 -44.945 -0.567 1.00 -2.82 C ATOM 110 HA GLN A 8 -9.161 -44.552 0.448 1.00 -2.82 H ATOM 111 C GLN A 8 -9.079 -46.464 -0.475 1.00 -2.82 C ATOM 112 O GLN A 8 -9.941 -47.179 0.041 1.00 -2.82 O ATOM 113 CB GLN A 8 -10.629 -44.585 -1.118 1.00 -2.82 C ATOM 114 1HB GLN A 8 -10.660 -44.841 -2.177 1.00 -2.82 H ATOM 115 2HB GLN A 8 -11.383 -45.174 -0.597 1.00 -2.82 H ATOM 116 CG GLN A 8 -10.993 -43.111 -0.944 1.00 -2.82 C ATOM 117 1HG GLN A 8 -11.047 -42.884 0.120 1.00 -2.82 H ATOM 118 2HG GLN A 8 -10.217 -42.499 -1.386 1.00 -2.82 H ATOM 119 CD GLN A 8 -12.305 -42.737 -1.598 1.00 -2.82 C ATOM 120 OE1 GLN A 8 -12.326 -42.204 -2.703 1.00 -2.82 O ATOM 121 NE2 GLN A 8 -13.398 -42.985 -0.930 1.00 -2.82 N ATOM 122 1HE2 GLN A 8 -14.283 -42.753 -1.350 1.00 -2.82 H ATOM 123 2HE2 GLN A 8 -13.353 -43.392 -0.011 1.00 -2.82 H ATOM 124 N LYS A 9 -7.963 -46.947 -0.999 1.00 9.34 N ATOM 125 H LYS A 9 -7.332 -46.321 -1.481 1.00 9.34 H ATOM 126 CA LYS A 9 -7.488 -48.322 -0.851 1.00 9.34 C ATOM 127 HA LYS A 9 -7.857 -48.772 0.070 1.00 9.34 H ATOM 128 C LYS A 9 -6.003 -48.052 -0.741 1.00 9.34 C ATOM 129 O LYS A 9 -5.578 -46.954 -1.126 1.00 9.34 O ATOM 130 CB LYS A 9 -7.810 -49.189 -2.081 1.00 9.34 C ATOM 131 1HB LYS A 9 -7.429 -48.678 -2.966 1.00 9.34 H ATOM 132 2HB LYS A 9 -7.288 -50.142 -1.987 1.00 9.34 H ATOM 133 CG LYS A 9 -9.302 -49.472 -2.292 1.00 9.34 C ATOM 134 1HG LYS A 9 -9.829 -48.520 -2.330 1.00 9.34 H ATOM 135 2HG LYS A 9 -9.439 -49.976 -3.249 1.00 9.34 H ATOM 136 CD LYS A 9 -9.900 -50.352 -1.180 1.00 9.34 C ATOM 137 1HD LYS A 9 -9.471 -51.353 -1.255 1.00 9.34 H ATOM 138 2HD LYS A 9 -9.647 -49.942 -0.204 1.00 9.34 H ATOM 139 CE LYS A 9 -11.420 -50.444 -1.260 1.00 9.34 C ATOM 140 1HE LYS A 9 -11.716 -50.777 -2.258 1.00 9.34 H ATOM 141 2HE LYS A 9 -11.764 -51.179 -0.529 1.00 9.34 H ATOM 142 NZ LYS A 9 -12.047 -49.108 -0.950 1.00 9.34 N ATOM 143 1HZ LYS A 9 -13.049 -49.205 -0.854 1.00 9.34 H ATOM 144 2HZ LYS A 9 -11.843 -48.454 -1.691 1.00 9.34 H ATOM 145 3HZ LYS A 9 -11.658 -48.737 -0.089 1.00 9.34 H ATOM 146 N CYS A 10 -5.224 -48.989 -0.231 1.00 -6.54 N ATOM 147 H CYS A 10 -5.602 -49.884 0.042 1.00 -6.54 H ATOM 148 CA CYS A 10 -3.794 -48.779 -0.055 1.00 -6.54 C ATOM 149 HA CYS A 10 -3.504 -47.835 -0.503 1.00 -6.54 H ATOM 150 C CYS A 10 -2.983 -49.876 -0.712 1.00 -6.54 C ATOM 151 O CYS A 10 -3.324 -51.050 -0.637 1.00 -6.54 O ATOM 152 CB CYS A 10 -3.442 -48.737 1.435 1.00 -6.54 C ATOM 153 1HB CYS A 10 -3.778 -49.665 1.897 1.00 -6.54 H ATOM 154 2HB CYS A 10 -2.358 -48.679 1.540 1.00 -6.54 H ATOM 155 SG CYS A 10 -4.182 -47.333 2.329 1.00 -6.54 S ATOM 156 N TRP A 11 -1.861 -49.448 -1.261 1.00 -0.23 N ATOM 157 H TRP A 11 -1.695 -48.457 -1.361 1.00 -0.23 H ATOM 158 CA TRP A 11 -0.715 -50.292 -1.556 1.00 -0.23 C ATOM 159 HA TRP A 11 -0.763 -51.238 -1.015 1.00 -0.23 H ATOM 160 C TRP A 11 0.301 -49.326 -0.963 1.00 -0.23 C ATOM 161 O TRP A 11 -0.002 -48.124 -0.928 1.00 -0.23 O ATOM 162 CB TRP A 11 -0.496 -50.493 -3.057 1.00 -0.23 C ATOM 163 1HB TRP A 11 0.054 -49.641 -3.446 1.00 -0.23 H ATOM 164 2HB TRP A 11 0.113 -51.384 -3.209 1.00 -0.23 H ATOM 165 CG TRP A 11 -1.766 -50.613 -3.850 1.00 -0.23 C ATOM 166 CD1 TRP A 11 -2.721 -51.576 -3.746 1.00 -0.23 C ATOM 167 HD1 TRP A 11 -2.679 -52.394 -3.036 1.00 -0.23 H ATOM 168 CD2 TRP A 11 -2.222 -49.734 -4.895 1.00 -0.23 C ATOM 169 NE1 TRP A 11 -3.738 -51.373 -4.639 1.00 -0.23 N ATOM 170 HE1 TRP A 11 -4.536 -51.983 -4.741 1.00 -0.23 H ATOM 171 CE2 TRP A 11 -3.470 -50.241 -5.360 1.00 -0.23 C ATOM 172 CE3 TRP A 11 -1.686 -48.584 -5.511 1.00 -0.23 C ATOM 173 HE3 TRP A 11 -0.733 -48.193 -5.196 1.00 -0.23 H ATOM 174 CZ2 TRP A 11 -4.189 -49.630 -6.409 1.00 -0.23 C ATOM 175 HZ2 TRP A 11 -5.128 -50.040 -6.749 1.00 -0.23 H ATOM 176 CZ3 TRP A 11 -2.400 -47.970 -6.572 1.00 -0.23 C ATOM 177 HZ3 TRP A 11 -1.989 -47.097 -7.060 1.00 -0.23 H ATOM 178 CH2 TRP A 11 -3.648 -48.506 -7.009 1.00 -0.23 C ATOM 179 HH2 TRP A 11 -4.172 -48.035 -7.829 1.00 -0.23 H ATOM 180 N VAL A 12 1.439 -49.791 -0.481 1.00 -5.05 N ATOM 181 H VAL A 12 1.692 -50.764 -0.598 1.00 -5.05 H ATOM 182 CA VAL A 12 2.406 -48.947 0.225 1.00 -5.05 C ATOM 183 HA VAL A 12 2.244 -47.894 -0.005 1.00 -5.05 H ATOM 184 C VAL A 12 3.716 -49.428 -0.385 1.00 -5.05 C ATOM 185 O VAL A 12 3.714 -50.508 -0.971 1.00 -5.05 O ATOM 186 CB VAL A 12 2.325 -49.169 1.777 1.00 -5.05 C ATOM 187 HB VAL A 12 2.586 -50.204 1.994 1.00 -5.05 H ATOM 188 CG1 VAL A 12 3.279 -48.244 2.554 1.00 -5.05 C ATOM 189 1HG1 VAL A 12 3.128 -48.368 3.627 1.00 -5.05 H ATOM 190 2HG1 VAL A 12 3.102 -47.201 2.288 1.00 -5.05 H ATOM 191 3HG1 VAL A 12 4.316 -48.503 2.339 1.00 -5.05 H ATOM 192 CG2 VAL A 12 0.890 -48.921 2.294 1.00 -5.05 C ATOM 193 1HG2 VAL A 12 0.866 -49.015 3.381 1.00 -5.05 H ATOM 194 2HG2 VAL A 12 0.208 -49.660 1.877 1.00 -5.05 H ATOM 195 3HG2 VAL A 12 0.558 -47.920 2.014 1.00 -5.05 H ATOM 196 N ASP A 13 4.783 -48.646 -0.284 1.00 -4.07 N ATOM 197 H ASP A 13 4.693 -47.770 0.215 1.00 -4.07 H ATOM 198 CA ASP A 13 6.122 -48.986 -0.790 1.00 -4.07 C ATOM 199 HA ASP A 13 6.750 -48.099 -0.709 1.00 -4.07 H ATOM 200 C ASP A 13 6.109 -49.422 -2.253 1.00 -4.07 C ATOM 201 O ASP A 13 6.574 -50.501 -2.602 1.00 -4.07 O ATOM 202 CB ASP A 13 6.792 -50.087 0.041 1.00 -4.07 C ATOM 203 1HB ASP A 13 6.186 -50.993 0.016 1.00 -4.07 H ATOM 204 2HB ASP A 13 7.763 -50.294 -0.396 1.00 -4.07 H ATOM 205 CG ASP A 13 7.038 -49.693 1.473 1.00 -4.07 C ATOM 206 OD1 ASP A 13 6.904 -48.509 1.839 1.00 -4.07 O ATOM 207 OD2 ASP A 13 7.421 -50.609 2.236 1.00 -4.07 O ATOM 208 N TRP A 14 5.551 -48.600 -3.130 1.00 35.77 N ATOM 209 H TRP A 14 5.221 -47.695 -2.834 1.00 35.77 H ATOM 210 CA TRP A 14 5.311 -49.024 -4.514 1.00 35.77 C ATOM 211 HA TRP A 14 4.684 -49.917 -4.488 1.00 35.77 H ATOM 212 C TRP A 14 6.597 -49.393 -5.259 1.00 35.77 C ATOM 213 O TRP A 14 6.608 -50.279 -6.109 1.00 35.77 O ATOM 214 CB TRP A 14 4.568 -47.928 -5.287 1.00 35.77 C ATOM 215 1HB TRP A 14 5.212 -47.050 -5.344 1.00 35.77 H ATOM 216 2HB TRP A 14 4.391 -48.284 -6.302 1.00 35.77 H ATOM 217 CG TRP A 14 3.239 -47.506 -4.689 1.00 35.77 C ATOM 218 CD1 TRP A 14 2.616 -48.009 -3.582 1.00 35.77 C ATOM 219 HD1 TRP A 14 3.011 -48.815 -2.972 1.00 35.77 H ATOM 220 CD2 TRP A 14 2.351 -46.484 -5.184 1.00 35.77 C ATOM 221 NE1 TRP A 14 1.444 -47.361 -3.329 1.00 35.77 N ATOM 222 HE1 TRP A 14 0.860 -47.533 -2.512 1.00 35.77 H ATOM 223 CE2 TRP A 14 1.213 -46.462 -4.328 1.00 35.77 C ATOM 224 CE3 TRP A 14 2.396 -45.585 -6.270 1.00 35.77 C ATOM 225 HE3 TRP A 14 3.249 -45.570 -6.932 1.00 35.77 H ATOM 226 CZ2 TRP A 14 0.114 -45.614 -4.554 1.00 35.77 C ATOM 227 HZ2 TRP A 14 -0.743 -45.649 -3.906 1.00 35.77 H ATOM 228 CZ3 TRP A 14 1.292 -44.716 -6.494 1.00 35.77 C ATOM 229 HZ3 TRP A 14 1.307 -44.033 -7.334 1.00 35.77 H ATOM 230 CH2 TRP A 14 0.154 -44.758 -5.638 1.00 35.77 C ATOM 231 HH2 TRP A 14 -0.693 -44.120 -5.844 1.00 35.77 H ATOM 232 N SER A 15 7.703 -48.755 -4.903 1.00 -0.19 N ATOM 233 H SER A 15 7.666 -48.034 -4.199 1.00 -0.19 H ATOM 234 CA SER A 15 9.008 -49.091 -5.464 1.00 -0.19 C ATOM 235 HA SER A 15 8.970 -49.054 -6.553 1.00 -0.19 H ATOM 236 C SER A 15 9.458 -50.486 -5.032 1.00 -0.19 C ATOM 237 O SER A 15 9.951 -51.273 -5.838 1.00 -0.19 O ATOM 238 CB SER A 15 10.002 -48.059 -4.945 1.00 -0.19 C ATOM 239 1HB SER A 15 11.008 -48.480 -4.941 1.00 -0.19 H ATOM 240 2HB SER A 15 9.976 -47.179 -5.589 1.00 -0.19 H ATOM 241 OG SER A 15 9.610 -47.679 -3.631 1.00 -0.19 O ATOM 242 HG SER A 15 10.277 -47.080 -3.275 1.00 -0.19 H ATOM 243 N ARG A 16 9.256 -50.805 -3.761 1.00-27.09 N ATOM 244 H ARG A 16 8.826 -50.128 -3.145 1.00-27.09 H ATOM 245 CA ARG A 16 9.615 -52.118 -3.225 1.00-27.09 C ATOM 246 HA ARG A 16 10.633 -52.361 -3.533 1.00-27.09 H ATOM 247 C ARG A 16 8.685 -53.175 -3.794 1.00-27.09 C ATOM 248 O ARG A 16 9.120 -54.267 -4.102 1.00-27.09 O ATOM 249 CB ARG A 16 9.549 -52.112 -1.696 1.00-27.09 C ATOM 250 1HB ARG A 16 10.121 -51.258 -1.333 1.00-27.09 H ATOM 251 2HB ARG A 16 8.512 -51.996 -1.399 1.00-27.09 H ATOM 252 CG ARG A 16 10.089 -53.370 -1.037 1.00-27.09 C ATOM 253 1HG ARG A 16 9.418 -54.200 -1.258 1.00-27.09 H ATOM 254 2HG ARG A 16 11.072 -53.595 -1.452 1.00-27.09 H ATOM 255 CD ARG A 16 10.226 -53.225 0.481 1.00-27.09 C ATOM 256 1HD ARG A 16 10.673 -54.139 0.877 1.00-27.09 H ATOM 257 2HD ARG A 16 10.908 -52.399 0.687 1.00-27.09 H ATOM 258 NE ARG A 16 8.957 -52.967 1.181 1.00-27.09 N ATOM 259 HE ARG A 16 8.734 -52.000 1.405 1.00-27.09 H ATOM 260 CZ ARG A 16 8.085 -53.871 1.605 1.00-27.09 C ATOM 261 NH1 ARG A 16 7.063 -53.440 2.286 1.00-27.09 N ATOM 262 1HH1 ARG A 16 6.986 -52.433 2.460 1.00-27.09 H ATOM 263 2HH1 ARG A 16 6.379 -54.075 2.642 1.00-27.09 H ATOM 264 NH2 ARG A 16 8.180 -55.159 1.396 1.00-27.09 N ATOM 265 1HH2 ARG A 16 8.960 -55.538 0.846 1.00-27.09 H ATOM 266 2HH2 ARG A 16 7.498 -55.787 1.764 1.00-27.09 H ATOM 267 N ALA A 17 7.420 -52.846 -4.004 1.00 -8.78 N ATOM 268 H ALA A 17 7.081 -51.942 -3.688 1.00 -8.78 H ATOM 269 CA ALA A 17 6.500 -53.772 -4.660 1.00 -8.78 C ATOM 270 HA ALA A 17 6.484 -54.705 -4.095 1.00 -8.78 H ATOM 271 C ALA A 17 6.980 -54.094 -6.083 1.00 -8.78 C ATOM 272 O ALA A 17 6.914 -55.238 -6.526 1.00 -8.78 O ATOM 273 CB ALA A 17 5.084 -53.178 -4.674 1.00 -8.78 C ATOM 274 1HB ALA A 17 4.770 -52.947 -3.654 1.00 -8.78 H ATOM 275 2HB ALA A 17 4.391 -53.903 -5.104 1.00 -8.78 H ATOM 276 3HB ALA A 17 5.062 -52.267 -5.273 1.00 -8.78 H ATOM 277 N ARG A 18 7.517 -53.104 -6.786 1.00 -8.08 N ATOM 278 H ARG A 18 7.546 -52.168 -6.392 1.00 -8.08 H ATOM 279 CA ARG A 18 8.065 -53.339 -8.124 1.00 -8.08 C ATOM 280 HA ARG A 18 7.281 -53.777 -8.741 1.00 -8.08 H ATOM 281 C ARG A 18 9.216 -54.337 -8.052 1.00 -8.08 C ATOM 282 O ARG A 18 9.263 -55.278 -8.842 1.00 -8.08 O ATOM 283 CB ARG A 18 8.538 -52.015 -8.744 1.00 -8.08 C ATOM 284 1HB ARG A 18 8.081 -51.205 -8.178 1.00 -8.08 H ATOM 285 2HB ARG A 18 9.618 -51.929 -8.621 1.00 -8.08 H ATOM 286 CG ARG A 18 8.183 -51.793 -10.216 1.00 -8.08 C ATOM 287 1HG ARG A 18 7.101 -51.874 -10.324 1.00 -8.08 H ATOM 288 2HG ARG A 18 8.475 -50.778 -10.485 1.00 -8.08 H ATOM 289 CD ARG A 18 8.845 -52.761 -11.202 1.00 -8.08 C ATOM 290 1HD ARG A 18 8.543 -53.774 -10.946 1.00 -8.08 H ATOM 291 2HD ARG A 18 8.478 -52.547 -12.205 1.00 -8.08 H ATOM 292 NE ARG A 18 10.313 -52.710 -11.209 1.00 -8.08 N ATOM 293 HE ARG A 18 10.806 -53.451 -10.708 1.00 -8.08 H ATOM 294 CZ ARG A 18 11.089 -51.861 -11.863 1.00 -8.08 C ATOM 295 NH1 ARG A 18 12.375 -52.017 -11.768 1.00 -8.08 N ATOM 296 1HH1 ARG A 18 12.716 -52.817 -11.222 1.00 -8.08 H ATOM 297 2HH1 ARG A 18 13.016 -51.404 -12.227 1.00 -8.08 H ATOM 298 NH2 ARG A 18 10.643 -50.870 -12.596 1.00 -8.08 N ATOM 299 1HH2 ARG A 18 9.653 -50.738 -12.690 1.00 -8.08 H ATOM 300 2HH2 ARG A 18 11.288 -50.263 -13.066 1.00 -8.08 H ATOM 301 N SER A 19 10.121 -54.170 -7.101 1.00-19.25 N ATOM 302 H SER A 19 10.058 -53.390 -6.456 1.00-19.25 H ATOM 303 CA SER A 19 11.252 -55.085 -7.002 1.00-19.25 C ATOM 304 HA SER A 19 11.645 -55.228 -8.000 1.00-19.25 H ATOM 305 C SER A 19 10.881 -56.465 -6.466 1.00-19.25 C ATOM 306 O SER A 19 11.372 -57.485 -6.937 1.00-19.25 O ATOM 307 CB SER A 19 12.366 -54.462 -6.159 1.00-19.25 C ATOM 308 1HB SER A 19 13.185 -55.176 -6.058 1.00-19.25 H ATOM 309 2HB SER A 19 12.736 -53.575 -6.675 1.00-19.25 H ATOM 310 OG SER A 19 11.904 -54.071 -4.876 1.00-19.25 O ATOM 311 HG SER A 19 11.591 -54.850 -4.405 1.00-19.25 H ATOM 312 N GLU A 20 10.014 -56.516 -5.469 1.00-10.79 N ATOM 313 H GLU A 20 9.594 -55.656 -5.116 1.00-10.79 H ATOM 314 CA GLU A 20 9.705 -57.769 -4.788 1.00-10.79 C ATOM 315 HA GLU A 20 10.607 -58.381 -4.775 1.00-10.79 H ATOM 316 C GLU A 20 8.630 -58.608 -5.459 1.00-10.79 C ATOM 317 O GLU A 20 8.479 -59.785 -5.133 1.00-10.79 O ATOM 318 CB GLU A 20 9.313 -57.502 -3.335 1.00-10.79 C ATOM 319 1HB GLU A 20 8.542 -56.735 -3.291 1.00-10.79 H ATOM 320 2HB GLU A 20 8.896 -58.416 -2.923 1.00-10.79 H ATOM 321 CG GLU A 20 10.505 -57.097 -2.481 1.00-10.79 C ATOM 322 1HG GLU A 20 11.393 -57.610 -2.854 1.00-10.79 H ATOM 323 2HG GLU A 20 10.667 -56.022 -2.568 1.00-10.79 H ATOM 324 CD GLU A 20 10.315 -57.487 -1.027 1.00-10.79 C ATOM 325 OE1 GLU A 20 10.438 -58.698 -0.725 1.00-10.79 O ATOM 326 OE2 GLU A 20 10.033 -56.607 -0.186 1.00-10.79 O ATOM 327 N ILE A 21 7.908 -58.041 -6.411 1.00 -5.23 N ATOM 328 H ILE A 21 7.991 -57.044 -6.582 1.00 -5.23 H ATOM 329 CA ILE A 21 6.978 -58.834 -7.215 1.00 -5.23 C ATOM 330 HA ILE A 21 6.883 -59.829 -6.785 1.00 -5.23 H ATOM 331 C ILE A 21 7.582 -58.987 -8.606 1.00 -5.23 C ATOM 332 O ILE A 21 7.907 -60.092 -9.038 1.00 -5.23 O ATOM 333 CB ILE A 21 5.552 -58.198 -7.280 1.00 -5.23 C ATOM 334 HB ILE A 21 5.629 -57.214 -7.742 1.00 -5.23 H ATOM 335 CG1 ILE A 21 4.986 -58.015 -5.855 1.00 -5.23 C ATOM 336 1HG1 ILE A 21 4.790 -58.999 -5.428 1.00 -5.23 H ATOM 337 2HG1 ILE A 21 5.733 -57.525 -5.232 1.00 -5.23 H ATOM 338 CG2 ILE A 21 4.601 -59.073 -8.141 1.00 -5.23 C ATOM 339 1HG2 ILE A 21 3.625 -58.594 -8.231 1.00 -5.23 H ATOM 340 2HG2 ILE A 21 4.475 -60.056 -7.683 1.00 -5.23 H ATOM 341 3HG2 ILE A 21 5.006 -59.199 -9.146 1.00 -5.23 H ATOM 342 CD1 ILE A 21 3.704 -57.174 -5.759 1.00 -5.23 C ATOM 343 1HD1 ILE A 21 3.453 -57.021 -4.709 1.00 -5.23 H ATOM 344 2HD1 ILE A 21 2.876 -57.688 -6.247 1.00 -5.23 H ATOM 345 3HD1 ILE A 21 3.863 -56.204 -6.232 1.00 -5.23 H ATOM 346 N ILE A 22 7.734 -57.880 -9.317 1.00 -6.88 N ATOM 347 H ILE A 22 7.657 -56.973 -8.876 1.00 -6.88 H ATOM 348 CA ILE A 22 7.945 -57.948 -10.761 1.00 -6.88 C ATOM 349 HA ILE A 22 7.332 -58.756 -11.161 1.00 -6.88 H ATOM 350 C ILE A 22 9.400 -58.285 -11.043 1.00 -6.88 C ATOM 351 O ILE A 22 9.684 -59.225 -11.777 1.00 -6.88 O ATOM 352 CB ILE A 22 7.529 -56.621 -11.470 1.00 -6.88 C ATOM 353 HB ILE A 22 8.143 -55.818 -11.076 1.00 -6.88 H ATOM 354 CG1 ILE A 22 6.049 -56.306 -11.157 1.00 -6.88 C ATOM 355 1HG1 ILE A 22 5.428 -57.068 -11.630 1.00 -6.88 H ATOM 356 2HG1 ILE A 22 5.888 -56.368 -10.083 1.00 -6.88 H ATOM 357 CG2 ILE A 22 7.774 -56.711 -13.000 1.00 -6.88 C ATOM 358 1HG2 ILE A 22 7.502 -55.776 -13.487 1.00 -6.88 H ATOM 359 2HG2 ILE A 22 7.191 -57.527 -13.431 1.00 -6.88 H ATOM 360 3HG2 ILE A 22 8.833 -56.893 -13.200 1.00 -6.88 H ATOM 361 CD1 ILE A 22 5.543 -54.927 -11.602 1.00 -6.88 C ATOM 362 1HD1 ILE A 22 4.507 -54.807 -11.284 1.00 -6.88 H ATOM 363 2HD1 ILE A 22 5.588 -54.836 -12.687 1.00 -6.88 H ATOM 364 3HD1 ILE A 22 6.145 -54.146 -11.141 1.00 -6.88 H ATOM 365 N ASP A 23 10.333 -57.568 -10.434 1.00 -8.28 N ATOM 366 H ASP A 23 10.069 -56.811 -9.807 1.00 -8.28 H ATOM 367 CA ASP A 23 11.748 -57.796 -10.743 1.00 -8.28 C ATOM 368 HA ASP A 23 11.866 -57.825 -11.826 1.00 -8.28 H ATOM 369 C ASP A 23 12.194 -59.136 -10.171 1.00 -8.28 C ATOM 370 O ASP A 23 13.066 -59.805 -10.723 1.00 -8.28 O ATOM 371 CB ASP A 23 12.651 -56.689 -10.196 1.00 -8.28 C ATOM 372 1HB ASP A 23 12.550 -56.660 -9.117 1.00 -8.28 H ATOM 373 2HB ASP A 23 13.687 -56.932 -10.432 1.00 -8.28 H ATOM 374 CG ASP A 23 12.322 -55.321 -10.767 1.00 -8.28 C ATOM 375 OD1 ASP A 23 11.835 -55.214 -11.907 1.00 -8.28 O ATOM 376 OD2 ASP A 23 12.518 -54.310 -10.056 1.00 -8.28 O ATOM 377 N ARG A 24 11.558 -59.576 -9.092 1.00 1.61 N ATOM 378 H ARG A 24 10.891 -58.968 -8.631 1.00 1.61 H ATOM 379 CA ARG A 24 11.820 -60.915 -8.560 1.00 1.61 C ATOM 380 HA ARG A 24 12.891 -61.011 -8.392 1.00 1.61 H ATOM 381 C ARG A 24 11.400 -61.966 -9.583 1.00 1.61 C ATOM 382 O ARG A 24 12.098 -62.959 -9.756 1.00 1.61 O ATOM 383 CB ARG A 24 11.079 -61.161 -7.238 1.00 1.61 C ATOM 384 1HB ARG A 24 11.153 -60.268 -6.618 1.00 1.61 H ATOM 385 2HB ARG A 24 10.026 -61.341 -7.459 1.00 1.61 H ATOM 386 CG ARG A 24 11.648 -62.351 -6.446 1.00 1.61 C ATOM 387 1HG ARG A 24 11.925 -63.143 -7.140 1.00 1.61 H ATOM 388 2HG ARG A 24 12.546 -62.024 -5.923 1.00 1.61 H ATOM 389 CD ARG A 24 10.660 -62.942 -5.442 1.00 1.61 C ATOM 390 1HD ARG A 24 9.818 -63.351 -6.002 1.00 1.61 H ATOM 391 2HD ARG A 24 11.137 -63.760 -4.902 1.00 1.61 H ATOM 392 NE ARG A 24 10.137 -61.956 -4.491 1.00 1.61 N ATOM 393 HE ARG A 24 9.317 -61.433 -4.794 1.00 1.61 H ATOM 394 CZ ARG A 24 10.606 -61.645 -3.291 1.00 1.61 C ATOM 395 NH1 ARG A 24 9.926 -60.784 -2.603 1.00 1.61 N ATOM 396 1HH1 ARG A 24 9.060 -60.426 -2.977 1.00 1.61 H ATOM 397 2HH1 ARG A 24 10.267 -60.409 -1.716 1.00 1.61 H ATOM 398 NH2 ARG A 24 11.700 -62.131 -2.766 1.00 1.61 N ATOM 399 1HH2 ARG A 24 12.239 -62.806 -3.271 1.00 1.61 H ATOM 400 2HH2 ARG A 24 11.988 -61.816 -1.854 1.00 1.61 H ATOM 401 N GLY A 25 10.287 -61.743 -10.267 1.00 3.00 N ATOM 402 H GLY A 25 9.739 -60.908 -10.088 1.00 3.00 H ATOM 403 CA GLY A 25 9.828 -62.665 -11.294 1.00 3.00 C ATOM 404 1HA GLY A 25 9.784 -63.671 -10.878 1.00 3.00 H ATOM 405 2HA GLY A 25 8.829 -62.372 -11.616 1.00 3.00 H ATOM 406 C GLY A 25 10.738 -62.685 -12.507 1.00 3.00 C ATOM 407 O GLY A 25 11.085 -63.761 -12.996 1.00 3.00 O ATOM 408 N VAL A 26 11.184 -61.514 -12.945 1.00 -8.25 N ATOM 409 H VAL A 26 10.848 -60.657 -12.511 1.00 -8.25 H ATOM 410 CA VAL A 26 12.144 -61.406 -14.050 1.00 -8.25 C ATOM 411 HA VAL A 26 11.732 -61.877 -14.944 1.00 -8.25 H ATOM 412 C VAL A 26 13.413 -62.153 -13.654 1.00 -8.25 C ATOM 413 O VAL A 26 13.919 -62.999 -14.388 1.00 -8.25 O ATOM 414 CB VAL A 26 12.476 -59.909 -14.357 1.00 -8.25 C ATOM 415 HB VAL A 26 12.793 -59.433 -13.430 1.00 -8.25 H ATOM 416 CG1 VAL A 26 13.615 -59.754 -15.376 1.00 -8.25 C ATOM 417 1HG1 VAL A 26 13.788 -58.698 -15.577 1.00 -8.25 H ATOM 418 2HG1 VAL A 26 13.346 -60.256 -16.307 1.00 -8.25 H ATOM 419 3HG1 VAL A 26 14.532 -60.192 -14.989 1.00 -8.25 H ATOM 420 CG2 VAL A 26 11.231 -59.172 -14.874 1.00 -8.25 C ATOM 421 1HG2 VAL A 26 11.468 -58.122 -15.039 1.00 -8.25 H ATOM 422 2HG2 VAL A 26 10.420 -59.235 -14.154 1.00 -8.25 H ATOM 423 3HG2 VAL A 26 10.904 -59.618 -15.817 1.00 -8.25 H ATOM 424 N LYS A 27 13.922 -61.909 -12.454 1.00-12.42 N ATOM 425 H LYS A 27 13.484 -61.216 -11.846 1.00-12.42 H ATOM 426 CA LYS A 27 15.143 -62.590 -12.032 1.00-12.42 C ATOM 427 HA LYS A 27 15.880 -62.446 -12.822 1.00-12.42 H ATOM 428 C LYS A 27 14.930 -64.091 -11.891 1.00-12.42 C ATOM 429 O LYS A 27 15.838 -64.852 -12.184 1.00-12.42 O ATOM 430 CB LYS A 27 15.709 -61.987 -10.745 1.00-12.42 C ATOM 431 1HB LYS A 27 15.694 -60.900 -10.839 1.00-12.42 H ATOM 432 2HB LYS A 27 15.081 -62.275 -9.901 1.00-12.42 H ATOM 433 CG LYS A 27 17.148 -62.430 -10.497 1.00-12.42 C ATOM 434 1HG LYS A 27 17.174 -63.510 -10.369 1.00-12.42 H ATOM 435 2HG LYS A 27 17.743 -62.169 -11.372 1.00-12.42 H ATOM 436 CD LYS A 27 17.778 -61.787 -9.279 1.00-12.42 C ATOM 437 1HD LYS A 27 17.740 -60.702 -9.386 1.00-12.42 H ATOM 438 2HD LYS A 27 17.230 -62.085 -8.384 1.00-12.42 H ATOM 439 CE LYS A 27 19.233 -62.244 -9.177 1.00-12.42 C ATOM 440 1HE LYS A 27 19.255 -63.335 -9.103 1.00-12.42 H ATOM 441 2HE LYS A 27 19.755 -61.957 -10.093 1.00-12.42 H ATOM 442 NZ LYS A 27 19.947 -61.649 -7.995 1.00-12.42 N ATOM 443 1HZ LYS A 27 20.903 -61.981 -7.970 1.00-12.42 H ATOM 444 2HZ LYS A 27 19.482 -61.918 -7.139 1.00-12.42 H ATOM 445 3HZ LYS A 27 19.951 -60.640 -8.068 1.00-12.42 H ATOM 446 N ALA A 28 13.755 -64.544 -11.483 1.00 -9.02 N ATOM 447 H ALA A 28 13.018 -63.892 -11.235 1.00 -9.02 H ATOM 448 CA ALA A 28 13.498 -65.979 -11.394 1.00 -9.02 C ATOM 449 HA ALA A 28 14.277 -66.430 -10.782 1.00 -9.02 H ATOM 450 C ALA A 28 13.560 -66.621 -12.783 1.00 -9.02 C ATOM 451 O ALA A 28 14.114 -67.712 -12.939 1.00 -9.02 O ATOM 452 CB ALA A 28 12.138 -66.239 -10.732 1.00 -9.02 C ATOM 453 1HB ALA A 28 12.115 -65.785 -9.741 1.00 -9.02 H ATOM 454 2HB ALA A 28 11.977 -67.314 -10.643 1.00 -9.02 H ATOM 455 3HB ALA A 28 11.340 -65.811 -11.342 1.00 -9.02 H ATOM 456 N TYR A 29 13.034 -65.939 -13.792 1.00 9.43 N ATOM 457 H TYR A 29 12.576 -65.045 -13.620 1.00 9.43 H ATOM 458 CA TYR A 29 13.112 -66.444 -15.159 1.00 9.43 C ATOM 459 HA TYR A 29 12.732 -67.465 -15.181 1.00 9.43 H ATOM 460 C TYR A 29 14.565 -66.469 -15.617 1.00 9.43 C ATOM 461 O TYR A 29 15.043 -67.499 -16.085 1.00 9.43 O ATOM 462 CB TYR A 29 12.275 -65.584 -16.108 1.00 9.43 C ATOM 463 1HB TYR A 29 11.243 -65.582 -15.761 1.00 9.43 H ATOM 464 2HB TYR A 29 12.645 -64.562 -16.078 1.00 9.43 H ATOM 465 CG TYR A 29 12.311 -66.065 -17.545 1.00 9.43 C ATOM 466 CD1 TYR A 29 11.432 -67.070 -17.998 1.00 9.43 C ATOM 467 HD1 TYR A 29 10.748 -67.534 -17.301 1.00 9.43 H ATOM 468 CD2 TYR A 29 13.220 -65.508 -18.466 1.00 9.43 C ATOM 469 HD2 TYR A 29 13.925 -64.764 -18.123 1.00 9.43 H ATOM 470 CE1 TYR A 29 11.434 -67.476 -19.361 1.00 9.43 C ATOM 471 HE1 TYR A 29 10.767 -68.254 -19.697 1.00 9.43 H ATOM 472 CE2 TYR A 29 13.206 -65.891 -19.832 1.00 9.43 C ATOM 473 HE2 TYR A 29 13.890 -65.431 -20.530 1.00 9.43 H ATOM 474 CZ TYR A 29 12.297 -66.855 -20.267 1.00 9.43 C ATOM 475 OH TYR A 29 12.236 -67.192 -21.595 1.00 9.43 O ATOM 476 HH TYR A 29 12.993 -66.858 -22.088 1.00 9.43 H ATOM 477 N VAL A 30 15.289 -65.374 -15.430 1.00 7.00 N ATOM 478 H VAL A 30 14.834 -64.542 -15.048 1.00 7.00 H ATOM 479 CA VAL A 30 16.712 -65.293 -15.781 1.00 7.00 C ATOM 480 HA VAL A 30 16.818 -65.457 -16.853 1.00 7.00 H ATOM 481 C VAL A 30 17.528 -66.378 -15.069 1.00 7.00 C ATOM 482 O VAL A 30 18.382 -67.020 -15.690 1.00 7.00 O ATOM 483 CB VAL A 30 17.259 -63.867 -15.447 1.00 7.00 C ATOM 484 HB VAL A 30 17.015 -63.640 -14.411 1.00 7.00 H ATOM 485 CG1 VAL A 30 18.783 -63.756 -15.609 1.00 7.00 C ATOM 486 1HG1 VAL A 30 19.102 -62.739 -15.378 1.00 7.00 H ATOM 487 2HG1 VAL A 30 19.072 -63.991 -16.634 1.00 7.00 H ATOM 488 3HG1 VAL A 30 19.288 -64.436 -14.923 1.00 7.00 H ATOM 489 CG2 VAL A 30 16.598 -62.814 -16.356 1.00 7.00 C ATOM 490 1HG2 VAL A 30 16.904 -61.815 -16.047 1.00 7.00 H ATOM 491 2HG2 VAL A 30 15.510 -62.867 -16.289 1.00 7.00 H ATOM 492 3HG2 VAL A 30 16.892 -62.975 -17.391 1.00 7.00 H ATOM 493 N ASN A 31 17.238 -66.647 -13.802 1.00 -1.93 N ATOM 494 H ASN A 31 16.496 -66.117 -13.348 1.00 -1.93 H ATOM 495 CA ASN A 31 17.972 -67.644 -13.016 1.00 -1.93 C ATOM 496 HA ASN A 31 19.026 -67.367 -12.993 1.00 -1.93 H ATOM 497 C ASN A 31 17.877 -69.047 -13.605 1.00 -1.93 C ATOM 498 O ASN A 31 18.770 -69.867 -13.376 1.00 -1.93 O ATOM 499 CB ASN A 31 17.440 -67.736 -11.578 1.00 -1.93 C ATOM 500 1HB ASN A 31 16.354 -67.806 -11.601 1.00 -1.93 H ATOM 501 2HB ASN A 31 17.830 -68.645 -11.122 1.00 -1.93 H ATOM 502 CG ASN A 31 17.849 -66.575 -10.703 1.00 -1.93 C ATOM 503 OD1 ASN A 31 18.881 -65.946 -10.887 1.00 -1.93 O ATOM 504 ND2 ASN A 31 17.070 -66.332 -9.683 1.00 -1.93 N ATOM 505 1HD2 ASN A 31 17.321 -65.598 -9.051 1.00 -1.93 H ATOM 506 2HD2 ASN A 31 16.232 -66.873 -9.555 1.00 -1.93 H ATOM 507 N GLY A 32 16.815 -69.336 -14.344 1.00 0.23 N ATOM 508 H GLY A 32 16.086 -68.638 -14.466 1.00 0.23 H ATOM 509 CA GLY A 32 16.684 -70.623 -15.007 1.00 0.23 C ATOM 510 1HA GLY A 32 17.329 -71.359 -14.528 1.00 0.23 H ATOM 511 2HA GLY A 32 15.653 -70.961 -14.906 1.00 0.23 H ATOM 512 C GLY A 32 17.022 -70.573 -16.484 1.00 0.23 C ATOM 513 O GLY A 32 17.886 -71.298 -16.968 1.00 0.23 O ATOM 514 N PHE A 33 16.348 -69.697 -17.211 1.00 7.38 N ATOM 515 H PHE A 33 15.730 -69.033 -16.745 1.00 7.38 H ATOM 516 CA PHE A 33 16.397 -69.664 -18.671 1.00 7.38 C ATOM 517 HA PHE A 33 16.085 -70.638 -19.048 1.00 7.38 H ATOM 518 C PHE A 33 17.768 -69.368 -19.255 1.00 7.38 C ATOM 519 O PHE A 33 18.125 -69.920 -20.296 1.00 7.38 O ATOM 520 CB PHE A 33 15.403 -68.612 -19.163 1.00 7.38 C ATOM 521 1HB PHE A 33 14.432 -68.821 -18.713 1.00 7.38 H ATOM 522 2HB PHE A 33 15.729 -67.627 -18.826 1.00 7.38 H ATOM 523 CG PHE A 33 15.235 -68.581 -20.656 1.00 7.38 C ATOM 524 CD1 PHE A 33 14.522 -69.601 -21.311 1.00 7.38 C ATOM 525 HD1 PHE A 33 14.120 -70.428 -20.743 1.00 7.38 H ATOM 526 CD2 PHE A 33 15.759 -67.517 -21.412 1.00 7.38 C ATOM 527 HD2 PHE A 33 16.319 -66.729 -20.926 1.00 7.38 H ATOM 528 CE1 PHE A 33 14.312 -69.553 -22.710 1.00 7.38 C ATOM 529 HE1 PHE A 33 13.763 -70.342 -23.204 1.00 7.38 H ATOM 530 CE2 PHE A 33 15.546 -67.449 -22.811 1.00 7.38 C ATOM 531 HE2 PHE A 33 15.948 -66.621 -23.380 1.00 7.38 H ATOM 532 CZ PHE A 33 14.821 -68.469 -23.460 1.00 7.38 C ATOM 533 HZ PHE A 33 14.663 -68.427 -24.528 1.00 7.38 H ATOM 534 N THR A 34 18.569 -68.551 -18.585 1.00 5.60 N ATOM 535 H THR A 34 18.254 -68.127 -17.719 1.00 5.60 H ATOM 536 CA THR A 34 19.906 -68.216 -19.085 1.00 5.60 C ATOM 537 HA THR A 34 19.805 -67.766 -20.064 1.00 5.60 H ATOM 538 C THR A 34 20.792 -69.452 -19.220 1.00 5.60 C ATOM 539 O THR A 34 21.612 -69.555 -20.121 1.00 5.60 O ATOM 540 CB THR A 34 20.575 -67.177 -18.170 1.00 5.60 C ATOM 541 HB THR A 34 20.858 -67.643 -17.226 1.00 5.60 H ATOM 542 OG1 THR A 34 19.631 -66.137 -17.916 1.00 5.60 O ATOM 543 HG1 THR A 34 19.221 -66.315 -17.055 1.00 5.60 H ATOM 544 CG2 THR A 34 21.785 -66.524 -18.810 1.00 5.60 C ATOM 545 1HG2 THR A 34 22.189 -65.773 -18.132 1.00 5.60 H ATOM 546 2HG2 THR A 34 21.493 -66.036 -19.743 1.00 5.60 H ATOM 547 3HG2 THR A 34 22.554 -67.269 -19.016 1.00 5.60 H ATOM 548 N LYS A 35 20.556 -70.433 -18.360 1.00-20.52 N ATOM 549 H LYS A 35 19.794 -70.340 -17.697 1.00-20.52 H ATOM 550 CA LYS A 35 21.344 -71.668 -18.328 1.00-20.52 C ATOM 551 HA LYS A 35 22.388 -71.439 -18.552 1.00-20.52 H ATOM 552 C LYS A 35 20.866 -72.700 -19.345 1.00-20.52 C ATOM 553 O LYS A 35 21.445 -73.771 -19.449 1.00-20.52 O ATOM 554 CB LYS A 35 21.246 -72.267 -16.923 1.00-20.52 C ATOM 555 1HB LYS A 35 20.199 -72.492 -16.726 1.00-20.52 H ATOM 556 2HB LYS A 35 21.808 -73.201 -16.886 1.00-20.52 H ATOM 557 CG LYS A 35 21.763 -71.338 -15.829 1.00-20.52 C ATOM 558 1HG LYS A 35 22.846 -71.249 -15.909 1.00-20.52 H ATOM 559 2HG LYS A 35 21.317 -70.351 -15.941 1.00-20.52 H ATOM 560 CD LYS A 35 21.385 -71.853 -14.458 1.00-20.52 C ATOM 561 1HD LYS A 35 20.299 -71.953 -14.419 1.00-20.52 H ATOM 562 2HD LYS A 35 21.842 -72.828 -14.282 1.00-20.52 H ATOM 563 CE LYS A 35 21.831 -70.865 -13.390 1.00-20.52 C ATOM 564 1HE LYS A 35 22.912 -70.935 -13.251 1.00-20.52 H ATOM 565 2HE LYS A 35 21.579 -69.854 -13.720 1.00-20.52 H ATOM 566 NZ LYS A 35 21.109 -71.135 -12.105 1.00-20.52 N ATOM 567 1HZ LYS A 35 21.440 -70.509 -11.384 1.00-20.52 H ATOM 568 2HZ LYS A 35 21.249 -72.093 -11.820 1.00-20.52 H ATOM 569 3HZ LYS A 35 20.117 -70.967 -12.254 1.00-20.52 H ATOM 570 N VAL A 36 19.789 -72.384 -20.050 1.00 -3.59 N ATOM 571 H VAL A 36 19.357 -71.485 -19.905 1.00 -3.59 H ATOM 572 CA VAL A 36 19.187 -73.300 -21.023 1.00 -3.59 C ATOM 573 HA VAL A 36 19.721 -74.250 -21.003 1.00 -3.59 H ATOM 574 C VAL A 36 19.283 -72.734 -22.439 1.00 -3.59 C ATOM 575 O VAL A 36 19.737 -73.407 -23.357 1.00 -3.59 O ATOM 576 CB VAL A 36 17.691 -73.566 -20.663 1.00 -3.59 C ATOM 577 HB VAL A 36 17.148 -72.622 -20.704 1.00 -3.59 H ATOM 578 CG1 VAL A 36 17.036 -74.547 -21.649 1.00 -3.59 C ATOM 579 1HG1 VAL A 36 16.003 -74.734 -21.356 1.00 -3.59 H ATOM 580 2HG1 VAL A 36 17.583 -75.492 -21.656 1.00 -3.59 H ATOM 581 3HG1 VAL A 36 17.040 -74.130 -22.656 1.00 -3.59 H ATOM 582 CG2 VAL A 36 17.567 -74.124 -19.234 1.00 -3.59 C ATOM 583 1HG2 VAL A 36 16.524 -74.353 -19.014 1.00 -3.59 H ATOM 584 2HG2 VAL A 36 17.915 -73.390 -18.510 1.00 -3.59 H ATOM 585 3HG2 VAL A 36 18.163 -75.034 -19.134 1.00 -3.59 H ATOM 586 N LEU A 37 18.838 -71.497 -22.617 1.00 22.12 N ATOM 587 H LEU A 37 18.476 -70.995 -21.817 1.00 22.12 H ATOM 588 CA LEU A 37 18.775 -70.871 -23.942 1.00 22.12 C ATOM 589 HA LEU A 37 19.504 -71.350 -24.595 1.00 22.12 H ATOM 590 C LEU A 37 19.069 -69.370 -23.932 1.00 22.12 C ATOM 591 O LEU A 37 19.370 -68.774 -24.964 1.00 22.12 O ATOM 592 CB LEU A 37 17.368 -71.125 -24.507 1.00 22.12 C ATOM 593 1HB LEU A 37 17.191 -72.199 -24.445 1.00 22.12 H ATOM 594 2HB LEU A 37 16.661 -70.645 -23.836 1.00 22.12 H ATOM 595 CG LEU A 37 17.014 -70.691 -25.940 1.00 22.12 C ATOM 596 HG LEU A 37 17.100 -69.609 -26.008 1.00 22.12 H ATOM 597 CD1 LEU A 37 17.934 -71.314 -26.991 1.00 22.12 C ATOM 598 1HD1 LEU A 37 17.609 -71.019 -27.988 1.00 22.12 H ATOM 599 2HD1 LEU A 37 17.918 -72.403 -26.910 1.00 22.12 H ATOM 600 3HD1 LEU A 37 18.953 -70.957 -26.844 1.00 22.12 H ATOM 601 CD2 LEU A 37 15.567 -71.070 -26.249 1.00 22.12 C ATOM 602 1HD2 LEU A 37 15.299 -70.712 -27.243 1.00 22.12 H ATOM 603 2HD2 LEU A 37 14.899 -70.611 -25.522 1.00 22.12 H ATOM 604 3HD2 LEU A 37 15.445 -72.155 -26.214 1.00 22.12 H ATOM 605 N GLY A 38 19.012 -68.754 -22.760 1.00 28.41 N ATOM 606 H GLY A 38 18.842 -69.292 -21.921 1.00 28.41 H ATOM 607 CA GLY A 38 19.099 -67.307 -22.620 1.00 28.41 C ATOM 608 1HA GLY A 38 18.380 -66.878 -23.317 1.00 28.41 H ATOM 609 2HA GLY A 38 18.753 -67.038 -21.624 1.00 28.41 H ATOM 610 C GLY A 38 20.409 -66.584 -22.861 1.00 28.41 C ATOM 611 O GLY A 38 20.596 -65.473 -22.380 1.00 28.41 O ATOM 612 N GLY A 39 21.256 -67.127 -23.722 1.00 0.76 N ATOM 613 H GLY A 39 21.092 -68.070 -24.054 1.00 0.76 H ATOM 614 CA GLY A 39 22.299 -66.330 -24.350 1.00 0.76 C ATOM 615 1HA GLY A 39 22.844 -65.767 -23.592 1.00 0.76 H ATOM 616 2HA GLY A 39 22.986 -66.976 -24.895 1.00 0.76 H ATOM 617 C GLY A 39 21.637 -65.362 -25.317 1.00 0.76 C ATOM 618 O GLY A 39 22.194 -64.330 -25.665 1.00 0.76 O ATOM 619 N ILE A 40 20.401 -65.671 -25.696 1.00-24.34 N ATOM 620 H ILE A 40 20.003 -66.557 -25.412 1.00-24.34 H ATOM 621 CA ILE A 40 19.563 -64.775 -26.496 1.00-24.34 C ATOM 622 HA ILE A 40 20.189 -64.314 -27.260 1.00-24.34 H ATOM 623 C ILE A 40 18.940 -63.646 -25.662 1.00-24.34 C ATOM 624 O ILE A 40 18.236 -62.791 -26.193 1.00-24.34 O ATOM 625 CB ILE A 40 18.424 -65.566 -27.217 1.00-24.34 C ATOM 626 HB ILE A 40 17.909 -64.873 -27.883 1.00-24.34 H ATOM 627 CG1 ILE A 40 17.384 -66.119 -26.215 1.00-24.34 C ATOM 628 1HG1 ILE A 40 17.854 -66.877 -25.596 1.00-24.34 H ATOM 629 2HG1 ILE A 40 17.052 -65.314 -25.562 1.00-24.34 H ATOM 630 CG2 ILE A 40 19.038 -66.701 -28.081 1.00-24.34 C ATOM 631 1HG2 ILE A 40 18.279 -67.109 -28.748 1.00-24.34 H ATOM 632 2HG2 ILE A 40 19.421 -67.504 -27.450 1.00-24.34 H ATOM 633 3HG2 ILE A 40 19.850 -66.304 -28.691 1.00-24.34 H ATOM 634 CD1 ILE A 40 16.130 -66.730 -26.853 1.00-24.34 C ATOM 635 1HD1 ILE A 40 15.413 -66.974 -26.073 1.00-24.34 H ATOM 636 2HD1 ILE A 40 16.387 -67.641 -27.395 1.00-24.34 H ATOM 637 3HD1 ILE A 40 15.677 -66.012 -27.539 1.00-24.34 H ATOM 638 N GLY A 41 19.181 -63.660 -24.357 1.00 13.75 N ATOM 639 H GLY A 41 19.790 -64.364 -23.963 1.00 13.75 H ATOM 640 CA GLY A 41 18.586 -62.701 -23.442 1.00 13.75 C ATOM 641 1HA GLY A 41 19.380 -62.249 -22.848 1.00 13.75 H ATOM 642 2HA GLY A 41 18.084 -61.911 -23.999 1.00 13.75 H ATOM 643 C GLY A 41 17.589 -63.342 -22.494 1.00 13.75 C ATOM 644 O GLY A 41 17.302 -64.539 -22.574 1.00 13.75 O ATOM 645 N GLY A 42 17.082 -62.536 -21.572 1.00 19.88 N ATOM 646 H GLY A 42 17.330 -61.560 -21.580 1.00 19.88 H ATOM 647 CA GLY A 42 16.131 -62.985 -20.567 1.00 19.88 C ATOM 648 1HA GLY A 42 15.970 -64.059 -20.644 1.00 19.88 H ATOM 649 2HA GLY A 42 16.518 -62.755 -19.576 1.00 19.88 H ATOM 650 C GLY A 42 14.810 -62.269 -20.752 1.00 19.88 C ATOM 651 O GLY A 42 14.635 -61.552 -21.736 1.00 19.88 O ATOM 652 N ARG A 43 13.895 -62.452 -19.812 1.00 -6.37 N ATOM 653 H ARG A 43 14.109 -62.991 -18.976 1.00 -6.37 H ATOM 654 CA ARG A 43 12.572 -61.835 -19.792 1.00 -6.37 C ATOM 655 HA ARG A 43 12.586 -60.827 -20.204 1.00 -6.37 H ATOM 656 C ARG A 43 12.297 -61.813 -18.306 1.00 -6.37 C ATOM 657 O ARG A 43 13.129 -62.461 -17.633 1.00 -6.37 O ATOM 658 OXT ARG A 43 11.285 -61.261 -17.852 1.00 -6.37 O ATOM 659 CB ARG A 43 11.489 -62.693 -20.444 1.00 -6.37 C ATOM 660 1HB ARG A 43 11.429 -63.632 -19.896 1.00 -6.37 H ATOM 661 2HB ARG A 43 10.543 -62.168 -20.319 1.00 -6.37 H ATOM 662 CG ARG A 43 11.668 -63.005 -21.919 1.00 -6.37 C ATOM 663 1HG ARG A 43 11.900 -62.085 -22.455 1.00 -6.37 H ATOM 664 2HG ARG A 43 12.496 -63.704 -22.041 1.00 -6.37 H ATOM 665 CD ARG A 43 10.397 -63.612 -22.513 1.00 -6.37 C ATOM 666 1HD ARG A 43 9.593 -62.879 -22.439 1.00 -6.37 H ATOM 667 2HD ARG A 43 10.574 -63.815 -23.570 1.00 -6.37 H ATOM 668 NE ARG A 43 9.974 -64.862 -21.856 1.00 -6.37 N ATOM 669 HE ARG A 43 10.471 -65.695 -22.128 1.00 -6.37 H ATOM 670 CZ ARG A 43 9.020 -64.994 -20.942 1.00 -6.37 C ATOM 671 NH1 ARG A 43 8.705 -66.193 -20.547 1.00 -6.37 N ATOM 672 1HH1 ARG A 43 9.197 -66.987 -20.919 1.00 -6.37 H ATOM 673 2HH1 ARG A 43 7.990 -66.321 -19.854 1.00 -6.37 H ATOM 674 NH2 ARG A 43 8.358 -63.996 -20.415 1.00 -6.37 N ATOM 675 1HH2 ARG A 43 8.608 -63.053 -20.662 1.00 -6.37 H ATOM 676 2HH2 ARG A 43 7.635 -64.162 -19.740 1.00 -6.37 H TER 677 ARG A 43 CONECT 70 67 155 CONECT 155 70 152 END
SEQUENCE	NGVYCNKQKCWVDWSRARSEIIDRGVKAYVNGFTKVLGGIGGR
HELICITY	69.80	INSTAB. INDEX	33.12	FLEXIBILITY	14.63
a HYD. MOM.	101.48	b HYD. MOM.	30.20	c HYD. MOM	6.67
a MEAN HYD. MOM.	2.36	b MEAN HYD. MOM.	0.70	c MEAN HYD. MOM.	0.16
CHARGE pH5	5.29	CHARGE pH7	4.91	CHARGE pH9	2.88
Δ CHARGE pH5-pH9	2.41	ISOELECTRIC POINT	9.78	BOMAN INDEX	1.88
ΔG	29	CPP	-0,50	MLP	-16,06
MOLECULAR VOLUME		POLARITY
MIC E. coli		MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus		MIC M. luteus		MIC B. subtilis
MIC C. albicans		OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Firmicutes	CLASS	Cocci	ORDER	Lactobacillales
FAMILY	Enterococcaceae	GENUS	Enterococcus	SPECIES	Enterococcus faecium
DATE	2001
TITLE PAPER	Isolation and characterization of enterocin SE-K4 produced by thermophilic enterococci, Enterococcus faecalis K-4.