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ID	2457	NAME	Leucocin C   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\KNYGNGVHCTKKGCSVDWGYAWANIANNSVMNGLTGGNAGWHN.pdb REMARK YASARA Written on: Wed May 14 20:42:08 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 611 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: BACTERIOCIN CARNOBACTERIOCIN B2; COMPND 3 CHAIN: A; SEQRES 1 A 43 LYS ASN TYR GLY ASN GLY VAL HIS CYS THR LYS LYS GLY SEQRES 2 A 43 CYS SER VAL ASP TRP GLY TYR ALA TRP ALA ASN ILE ALA SEQRES 3 A 43 ASN ASN SER VAL MET ASN GLY LEU THR GLY GLY ASN ALA SEQRES 4 A 43 GLY TRP HIS ASN 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 9 CYS A 14 2.03 ATOM 1 N LYS A 1 34.668 40.707 18.606 1.00-25.91 N ATOM 2 1H LYS A 1 34.752 41.655 18.269 1.00-25.91 H ATOM 3 2H LYS A 1 34.478 40.716 19.597 1.00-25.91 H ATOM 4 3H LYS A 1 33.900 40.253 18.124 1.00-25.91 H ATOM 5 CA LYS A 1 35.933 39.958 18.336 1.00-25.91 C ATOM 6 HA LYS A 1 36.758 40.445 18.854 1.00-25.91 H ATOM 7 C LYS A 1 36.209 39.944 16.844 1.00-25.91 C ATOM 8 O LYS A 1 35.279 39.745 16.078 1.00-25.91 O ATOM 9 CB LYS A 1 35.791 38.511 18.841 1.00-25.91 C ATOM 10 1HB LYS A 1 35.453 38.541 19.877 1.00-25.91 H ATOM 11 2HB LYS A 1 35.024 38.016 18.247 1.00-25.91 H ATOM 12 CG LYS A 1 37.070 37.666 18.779 1.00-25.91 C ATOM 13 1HG LYS A 1 37.441 37.641 17.755 1.00-25.91 H ATOM 14 2HG LYS A 1 37.826 38.118 19.421 1.00-25.91 H ATOM 15 CD LYS A 1 36.816 36.231 19.237 1.00-25.91 C ATOM 16 1HD LYS A 1 36.385 36.242 20.239 1.00-25.91 H ATOM 17 2HD LYS A 1 36.109 35.762 18.551 1.00-25.91 H ATOM 18 CE LYS A 1 38.113 35.418 19.257 1.00-25.91 C ATOM 19 1HE LYS A 1 38.584 35.481 18.272 1.00-25.91 H ATOM 20 2HE LYS A 1 38.796 35.849 19.993 1.00-25.91 H ATOM 21 NZ LYS A 1 37.863 33.966 19.589 1.00-25.91 N ATOM 22 1HZ LYS A 1 38.740 33.461 19.606 1.00-25.91 H ATOM 23 2HZ LYS A 1 37.261 33.552 18.885 1.00-25.91 H ATOM 24 3HZ LYS A 1 37.419 33.886 20.494 1.00-25.91 H ATOM 25 N ASN A 2 37.454 40.121 16.426 1.00 -3.44 N ATOM 26 H ASN A 2 38.215 40.251 17.084 1.00 -3.44 H ATOM 27 CA ASN A 2 37.844 40.021 15.019 1.00 -3.44 C ATOM 28 HA ASN A 2 37.046 39.612 14.399 1.00 -3.44 H ATOM 29 C ASN A 2 39.000 39.046 15.109 1.00 -3.44 C ATOM 30 O ASN A 2 39.606 38.977 16.174 1.00 -3.44 O ATOM 31 CB ASN A 2 38.328 41.366 14.459 1.00 -3.44 C ATOM 32 1HB ASN A 2 39.076 41.786 15.131 1.00 -3.44 H ATOM 33 2HB ASN A 2 38.791 41.198 13.488 1.00 -3.44 H ATOM 34 CG ASN A 2 37.211 42.358 14.277 1.00 -3.44 C ATOM 35 OD1 ASN A 2 36.105 42.000 13.907 1.00 -3.44 O ATOM 36 ND2 ASN A 2 37.480 43.606 14.543 1.00 -3.44 N ATOM 37 1HD2 ASN A 2 36.751 44.293 14.429 1.00 -3.44 H ATOM 38 2HD2 ASN A 2 38.403 43.883 14.837 1.00 -3.44 H ATOM 39 N TYR A 3 39.292 38.312 14.047 1.00 5.62 N ATOM 40 H TYR A 3 38.697 38.369 13.220 1.00 5.62 H ATOM 41 CA TYR A 3 40.400 37.350 14.039 1.00 5.62 C ATOM 42 HA TYR A 3 40.809 37.242 15.044 1.00 5.62 H ATOM 43 C TYR A 3 41.533 37.790 13.114 1.00 5.62 C ATOM 44 O TYR A 3 42.495 37.062 12.905 1.00 5.62 O ATOM 45 CB TYR A 3 39.891 35.984 13.573 1.00 5.62 C ATOM 46 1HB TYR A 3 39.433 36.110 12.597 1.00 5.62 H ATOM 47 2HB TYR A 3 40.740 35.310 13.462 1.00 5.62 H ATOM 48 CG TYR A 3 38.900 35.324 14.512 1.00 5.62 C ATOM 49 CD1 TYR A 3 37.543 35.709 14.538 1.00 5.62 C ATOM 50 HD1 TYR A 3 37.200 36.507 13.905 1.00 5.62 H ATOM 51 CD2 TYR A 3 39.310 34.270 15.353 1.00 5.62 C ATOM 52 HD2 TYR A 3 40.345 33.952 15.350 1.00 5.62 H ATOM 53 CE1 TYR A 3 36.613 35.047 15.369 1.00 5.62 C ATOM 54 HE1 TYR A 3 35.580 35.350 15.360 1.00 5.62 H ATOM 55 CE2 TYR A 3 38.376 33.596 16.182 1.00 5.62 C ATOM 56 HE2 TYR A 3 38.696 32.766 16.794 1.00 5.62 H ATOM 57 CZ TYR A 3 37.037 33.994 16.181 1.00 5.62 C ATOM 58 OH TYR A 3 36.153 33.351 17.011 1.00 5.62 O ATOM 59 HH TYR A 3 35.235 33.535 16.781 1.00 5.62 H ATOM 60 N GLY A 4 41.384 38.956 12.500 1.00 35.84 N ATOM 61 H GLY A 4 40.565 39.507 12.681 1.00 35.84 H ATOM 62 CA GLY A 4 42.373 39.473 11.560 1.00 35.84 C ATOM 63 1HA GLY A 4 42.252 40.553 11.480 1.00 35.84 H ATOM 64 2HA GLY A 4 43.373 39.269 11.945 1.00 35.84 H ATOM 65 C GLY A 4 42.271 38.875 10.168 1.00 35.84 C ATOM 66 O GLY A 4 42.211 39.591 9.176 1.00 35.84 O ATOM 67 N ASN A 5 42.153 37.559 10.086 1.00 32.25 N ATOM 68 H ASN A 5 42.192 37.020 10.946 1.00 32.25 H ATOM 69 CA ASN A 5 42.014 36.848 8.814 1.00 32.25 C ATOM 70 HA ASN A 5 42.649 37.346 8.082 1.00 32.25 H ATOM 71 C ASN A 5 40.587 36.867 8.260 1.00 32.25 C ATOM 72 O ASN A 5 40.035 35.835 7.908 1.00 32.25 O ATOM 73 CB ASN A 5 42.504 35.403 8.971 1.00 32.25 C ATOM 74 1HB ASN A 5 43.431 35.405 9.542 1.00 32.25 H ATOM 75 2HB ASN A 5 41.760 34.824 9.517 1.00 32.25 H ATOM 76 CG ASN A 5 42.777 34.742 7.640 1.00 32.25 C ATOM 77 OD1 ASN A 5 43.493 35.284 6.818 1.00 32.25 O ATOM 78 ND2 ASN A 5 42.241 33.574 7.425 1.00 32.25 N ATOM 79 1HD2 ASN A 5 42.447 33.108 6.559 1.00 32.25 H ATOM 80 2HD2 ASN A 5 41.624 33.168 8.107 1.00 32.25 H ATOM 81 N GLY A 6 39.971 38.039 8.221 1.00 9.49 N ATOM 82 H GLY A 6 40.468 38.866 8.541 1.00 9.49 H ATOM 83 CA GLY A 6 38.641 38.182 7.646 1.00 9.49 C ATOM 84 1HA GLY A 6 38.392 39.242 7.622 1.00 9.49 H ATOM 85 2HA GLY A 6 38.682 37.827 6.619 1.00 9.49 H ATOM 86 C GLY A 6 37.497 37.450 8.320 1.00 9.49 C ATOM 87 O GLY A 6 36.559 37.042 7.642 1.00 9.49 O ATOM 88 N VAL A 7 37.569 37.252 9.629 1.00 -5.10 N ATOM 89 H VAL A 7 38.367 37.597 10.133 1.00 -5.10 H ATOM 90 CA VAL A 7 36.516 36.569 10.387 1.00 -5.10 C ATOM 91 HA VAL A 7 35.631 36.456 9.765 1.00 -5.10 H ATOM 92 C VAL A 7 36.183 37.482 11.565 1.00 -5.10 C ATOM 93 O VAL A 7 37.085 38.129 12.128 1.00 -5.10 O ATOM 94 CB VAL A 7 36.966 35.145 10.871 1.00 -5.10 C ATOM 95 HB VAL A 7 37.815 35.260 11.534 1.00 -5.10 H ATOM 96 CG1 VAL A 7 35.849 34.406 11.635 1.00 -5.10 C ATOM 97 1HG1 VAL A 7 36.195 33.414 11.927 1.00 -5.10 H ATOM 98 2HG1 VAL A 7 34.964 34.303 11.005 1.00 -5.10 H ATOM 99 3HG1 VAL A 7 35.579 34.950 12.537 1.00 -5.10 H ATOM 100 CG2 VAL A 7 37.407 34.272 9.693 1.00 -5.10 C ATOM 101 1HG2 VAL A 7 37.655 33.269 10.041 1.00 -5.10 H ATOM 102 2HG2 VAL A 7 38.292 34.696 9.226 1.00 -5.10 H ATOM 103 3HG2 VAL A 7 36.614 34.210 8.952 1.00 -5.10 H ATOM 104 N HIS A 8 34.914 37.531 11.948 1.00 0.59 N ATOM 105 H HIS A 8 34.230 36.964 11.438 1.00 0.59 H ATOM 106 CA HIS A 8 34.433 38.316 13.084 1.00 0.59 C ATOM 107 HA HIS A 8 35.268 38.731 13.640 1.00 0.59 H ATOM 108 C HIS A 8 33.598 37.404 13.961 1.00 0.59 C ATOM 109 O HIS A 8 33.060 36.428 13.462 1.00 0.59 O ATOM 110 CB HIS A 8 33.495 39.427 12.608 1.00 0.59 C ATOM 111 1HB HIS A 8 32.547 38.965 12.329 1.00 0.59 H ATOM 112 2HB HIS A 8 33.306 40.125 13.423 1.00 0.59 H ATOM 113 CG HIS A 8 33.993 40.164 11.408 1.00 0.59 C ATOM 114 ND1 HIS A 8 34.931 41.187 11.459 1.00 0.59 N ATOM 115 HD1 HIS A 8 35.359 41.550 12.314 1.00 0.59 H ATOM 116 CD2 HIS A 8 33.696 40.028 10.094 1.00 0.59 C ATOM 117 HD2 HIS A 8 32.996 39.316 9.672 1.00 0.59 H ATOM 118 CE1 HIS A 8 35.179 41.608 10.227 1.00 0.59 C ATOM 119 HE1 HIS A 8 35.883 42.381 9.942 1.00 0.59 H ATOM 120 NE2 HIS A 8 34.441 40.924 9.391 1.00 0.59 N ATOM 121 HE2 HIS A 8 34.452 41.011 8.355 1.00 0.59 H ATOM 122 N CYS A 9 33.399 37.785 15.213 1.00 22.01 N ATOM 123 H CYS A 9 33.970 38.531 15.596 1.00 22.01 H ATOM 124 CA CYS A 9 32.271 37.308 16.014 1.00 22.01 C ATOM 125 HA CYS A 9 31.495 36.949 15.352 1.00 22.01 H ATOM 126 C CYS A 9 31.730 38.515 16.773 1.00 22.01 C ATOM 127 O CYS A 9 32.465 39.135 17.556 1.00 22.01 O ATOM 128 CB CYS A 9 32.649 36.189 16.991 1.00 22.01 C ATOM 129 1HB CYS A 9 33.449 36.549 17.633 1.00 22.01 H ATOM 130 2HB CYS A 9 31.781 35.982 17.618 1.00 22.01 H ATOM 131 SG CYS A 9 33.178 34.615 16.235 1.00 22.01 S ATOM 132 N THR A 10 30.491 38.887 16.490 1.00 17.26 N ATOM 133 H THR A 10 29.925 38.311 15.867 1.00 17.26 H ATOM 134 CA THR A 10 29.825 40.066 17.047 1.00 17.26 C ATOM 135 HA THR A 10 30.209 40.297 18.040 1.00 17.26 H ATOM 136 C THR A 10 28.355 39.665 17.121 1.00 17.26 C ATOM 137 O THR A 10 27.981 38.691 16.484 1.00 17.26 O ATOM 138 CB THR A 10 29.939 41.309 16.116 1.00 17.26 C ATOM 139 HB THR A 10 29.320 42.113 16.515 1.00 17.26 H ATOM 140 OG1 THR A 10 29.494 40.965 14.803 1.00 17.26 O ATOM 141 HG1 THR A 10 29.729 41.679 14.206 1.00 17.26 H ATOM 142 CG2 THR A 10 31.369 41.812 15.976 1.00 17.26 C ATOM 143 1HG2 THR A 10 31.374 42.730 15.389 1.00 17.26 H ATOM 144 2HG2 THR A 10 31.980 41.063 15.471 1.00 17.26 H ATOM 145 3HG2 THR A 10 31.785 42.020 16.961 1.00 17.26 H ATOM 146 N LYS A 11 27.533 40.375 17.890 1.00 -1.90 N ATOM 147 H LYS A 11 27.912 41.128 18.443 1.00 -1.90 H ATOM 148 CA LYS A 11 26.076 40.127 17.966 1.00 -1.90 C ATOM 149 HA LYS A 11 25.671 40.752 18.762 1.00 -1.90 H ATOM 150 C LYS A 11 25.676 38.676 18.281 1.00 -1.90 C ATOM 151 O LYS A 11 24.669 38.196 17.781 1.00 -1.90 O ATOM 152 CB LYS A 11 25.384 40.552 16.657 1.00 -1.90 C ATOM 153 1HB LYS A 11 25.724 39.900 15.852 1.00 -1.90 H ATOM 154 2HB LYS A 11 24.309 40.410 16.775 1.00 -1.90 H ATOM 155 CG LYS A 11 25.610 41.997 16.231 1.00 -1.90 C ATOM 156 1HG LYS A 11 25.299 42.663 17.036 1.00 -1.90 H ATOM 157 2HG LYS A 11 26.665 42.157 16.011 1.00 -1.90 H ATOM 158 CD LYS A 11 24.784 42.291 14.983 1.00 -1.90 C ATOM 159 1HD LYS A 11 25.069 41.590 14.197 1.00 -1.90 H ATOM 160 2HD LYS A 11 23.728 42.146 15.219 1.00 -1.90 H ATOM 161 CE LYS A 11 24.993 43.718 14.487 1.00 -1.90 C ATOM 162 1HE LYS A 11 24.737 44.414 15.289 1.00 -1.90 H ATOM 163 2HE LYS A 11 26.045 43.855 14.227 1.00 -1.90 H ATOM 164 NZ LYS A 11 24.135 44.005 13.282 1.00 -1.90 N ATOM 165 1HZ LYS A 11 24.286 44.955 12.968 1.00 -1.90 H ATOM 166 2HZ LYS A 11 23.158 43.887 13.519 1.00 -1.90 H ATOM 167 3HZ LYS A 11 24.370 43.367 12.532 1.00 -1.90 H ATOM 168 N LYS A 12 26.481 37.999 19.097 1.00-11.42 N ATOM 169 H LYS A 12 27.283 38.478 19.463 1.00-11.42 H ATOM 170 CA LYS A 12 26.306 36.580 19.471 1.00-11.42 C ATOM 171 HA LYS A 12 27.144 36.307 20.110 1.00-11.42 H ATOM 172 C LYS A 12 26.336 35.600 18.288 1.00-11.42 C ATOM 173 O LYS A 12 25.805 34.501 18.389 1.00-11.42 O ATOM 174 CB LYS A 12 25.018 36.347 20.285 1.00-11.42 C ATOM 175 1HB LYS A 12 24.160 36.524 19.638 1.00-11.42 H ATOM 176 2HB LYS A 12 24.991 35.302 20.595 1.00-11.42 H ATOM 177 CG LYS A 12 24.860 37.203 21.534 1.00-11.42 C ATOM 178 1HG LYS A 12 25.706 37.035 22.200 1.00-11.42 H ATOM 179 2HG LYS A 12 24.818 38.256 21.257 1.00-11.42 H ATOM 180 CD LYS A 12 23.566 36.819 22.243 1.00-11.42 C ATOM 181 1HD LYS A 12 22.735 36.943 21.547 1.00-11.42 H ATOM 182 2HD LYS A 12 23.625 35.770 22.540 1.00-11.42 H ATOM 183 CE LYS A 12 23.319 37.679 23.476 1.00-11.42 C ATOM 184 1HE LYS A 12 24.160 37.563 24.165 1.00-11.42 H ATOM 185 2HE LYS A 12 23.254 38.726 23.173 1.00-11.42 H ATOM 186 NZ LYS A 12 22.044 37.274 24.167 1.00-11.42 N ATOM 187 1HZ LYS A 12 21.892 37.857 24.980 1.00-11.42 H ATOM 188 2HZ LYS A 12 22.104 36.308 24.459 1.00-11.42 H ATOM 189 3HZ LYS A 12 21.262 37.379 23.533 1.00-11.42 H ATOM 190 N GLY A 13 26.980 35.979 17.195 1.00 16.66 N ATOM 191 H GLY A 13 27.407 36.895 17.133 1.00 16.66 H ATOM 192 CA GLY A 13 27.146 35.099 16.049 1.00 16.66 C ATOM 193 1HA GLY A 13 27.070 34.056 16.355 1.00 16.66 H ATOM 194 2HA GLY A 13 26.388 35.320 15.298 1.00 16.66 H ATOM 195 C GLY A 13 28.525 35.357 15.484 1.00 16.66 C ATOM 196 O GLY A 13 29.271 36.150 16.060 1.00 16.66 O ATOM 197 N CYS A 14 28.884 34.716 14.381 1.00-17.03 N ATOM 198 H CYS A 14 28.236 34.093 13.921 1.00-17.03 H ATOM 199 CA CYS A 14 30.189 34.910 13.755 1.00-17.03 C ATOM 200 HA CYS A 14 30.631 35.831 14.107 1.00-17.03 H ATOM 201 C CYS A 14 29.979 35.036 12.253 1.00-17.03 C ATOM 202 O CYS A 14 28.968 34.561 11.738 1.00-17.03 O ATOM 203 CB CYS A 14 31.130 33.746 14.088 1.00-17.03 C ATOM 204 1HB CYS A 14 30.674 32.825 13.724 1.00-17.03 H ATOM 205 2HB CYS A 14 32.071 33.891 13.557 1.00-17.03 H ATOM 206 SG CYS A 14 31.486 33.547 15.869 1.00-17.03 S ATOM 207 N SER A 15 30.905 35.680 11.559 1.00 -4.97 N ATOM 208 H SER A 15 31.747 36.011 12.023 1.00 -4.97 H ATOM 209 CA SER A 15 30.778 35.936 10.125 1.00 -4.97 C ATOM 210 HA SER A 15 30.179 35.151 9.664 1.00 -4.97 H ATOM 211 C SER A 15 32.159 35.935 9.488 1.00 -4.97 C ATOM 212 O SER A 15 33.159 36.122 10.182 1.00 -4.97 O ATOM 213 CB SER A 15 30.100 37.289 9.893 1.00 -4.97 C ATOM 214 1HB SER A 15 29.996 37.461 8.821 1.00 -4.97 H ATOM 215 2HB SER A 15 29.108 37.267 10.347 1.00 -4.97 H ATOM 216 OG SER A 15 30.848 38.345 10.473 1.00 -4.97 O ATOM 217 HG SER A 15 30.390 39.171 10.291 1.00 -4.97 H ATOM 218 N VAL A 16 32.212 35.709 8.182 1.00 18.61 N ATOM 219 H VAL A 16 31.362 35.599 7.649 1.00 18.61 H ATOM 220 CA VAL A 16 33.464 35.612 7.435 1.00 18.61 C ATOM 221 HA VAL A 16 34.295 35.937 8.058 1.00 18.61 H ATOM 222 C VAL A 16 33.311 36.554 6.244 1.00 18.61 C ATOM 223 O VAL A 16 32.282 36.537 5.579 1.00 18.61 O ATOM 224 CB VAL A 16 33.721 34.148 6.957 1.00 18.61 C ATOM 225 HB VAL A 16 32.912 33.857 6.290 1.00 18.61 H ATOM 226 CG1 VAL A 16 35.050 34.028 6.199 1.00 18.61 C ATOM 227 1HG1 VAL A 16 35.252 32.980 5.973 1.00 18.61 H ATOM 228 2HG1 VAL A 16 35.869 34.436 6.791 1.00 18.61 H ATOM 229 3HG1 VAL A 16 34.974 34.560 5.256 1.00 18.61 H ATOM 230 CG2 VAL A 16 33.721 33.167 8.143 1.00 18.61 C ATOM 231 1HG2 VAL A 16 33.956 32.162 7.790 1.00 18.61 H ATOM 232 2HG2 VAL A 16 32.737 33.142 8.608 1.00 18.61 H ATOM 233 3HG2 VAL A 16 34.459 33.469 8.883 1.00 18.61 H ATOM 234 N ASP A 17 34.304 37.399 6.008 1.00 16.60 N ATOM 235 H ASP A 17 35.115 37.386 6.628 1.00 16.60 H ATOM 236 CA ASP A 17 34.271 38.386 4.922 1.00 16.60 C ATOM 237 HA ASP A 17 33.295 38.872 4.884 1.00 16.60 H ATOM 238 C ASP A 17 34.602 37.768 3.574 1.00 16.60 C ATOM 239 O ASP A 17 34.264 38.306 2.521 1.00 16.60 O ATOM 240 CB ASP A 17 35.368 39.430 5.128 1.00 16.60 C ATOM 241 1HB ASP A 17 36.325 38.913 5.190 1.00 16.60 H ATOM 242 2HB ASP A 17 35.389 40.102 4.270 1.00 16.60 H ATOM 243 CG ASP A 17 35.183 40.244 6.380 1.00 16.60 C ATOM 244 OD1 ASP A 17 34.085 40.775 6.632 1.00 16.60 O ATOM 245 OD2 ASP A 17 36.153 40.346 7.159 1.00 16.60 O ATOM 246 N TRP A 18 35.376 36.691 3.654 1.00 27.01 N ATOM 247 H TRP A 18 35.544 36.335 4.583 1.00 27.01 H ATOM 248 CA TRP A 18 36.028 35.983 2.538 1.00 27.01 C ATOM 249 HA TRP A 18 36.579 35.153 2.980 1.00 27.01 H ATOM 250 C TRP A 18 37.056 36.796 1.744 1.00 27.01 C ATOM 251 O TRP A 18 38.219 36.408 1.659 1.00 27.01 O ATOM 252 CB TRP A 18 34.995 35.357 1.593 1.00 27.01 C ATOM 253 1HB TRP A 18 34.517 36.141 1.006 1.00 27.01 H ATOM 254 2HB TRP A 18 35.509 34.681 0.909 1.00 27.01 H ATOM 255 CG TRP A 18 33.931 34.597 2.325 1.00 27.01 C ATOM 256 CD1 TRP A 18 32.696 35.048 2.670 1.00 27.01 C ATOM 257 HD1 TRP A 18 32.328 36.041 2.439 1.00 27.01 H ATOM 258 CD2 TRP A 18 34.003 33.253 2.835 1.00 27.01 C ATOM 259 NE1 TRP A 18 31.992 34.104 3.362 1.00 27.01 N ATOM 260 HE1 TRP A 18 31.063 34.249 3.731 1.00 27.01 H ATOM 261 CE2 TRP A 18 32.766 32.984 3.490 1.00 27.01 C ATOM 262 CE3 TRP A 18 35.004 32.259 2.843 1.00 27.01 C ATOM 263 HE3 TRP A 18 35.953 32.435 2.359 1.00 27.01 H ATOM 264 CZ2 TRP A 18 32.510 31.764 4.149 1.00 27.01 C ATOM 265 HZ2 TRP A 18 31.568 31.591 4.647 1.00 27.01 H ATOM 266 CZ3 TRP A 18 34.752 31.029 3.506 1.00 27.01 C ATOM 267 HZ3 TRP A 18 35.510 30.259 3.518 1.00 27.01 H ATOM 268 CH2 TRP A 18 33.502 30.799 4.154 1.00 27.01 C ATOM 269 HH2 TRP A 18 33.329 29.859 4.658 1.00 27.01 H ATOM 270 N GLY A 19 36.676 37.953 1.223 1.00 2.06 N ATOM 271 H GLY A 19 35.710 38.258 1.354 1.00 2.06 H ATOM 272 CA GLY A 19 37.607 38.778 0.471 1.00 2.06 C ATOM 273 1HA GLY A 19 38.106 38.157 -0.274 1.00 2.06 H ATOM 274 2HA GLY A 19 37.065 39.575 -0.037 1.00 2.06 H ATOM 275 C GLY A 19 38.664 39.387 1.369 1.00 2.06 C ATOM 276 O GLY A 19 39.829 39.467 0.997 1.00 2.06 O ATOM 277 N TYR A 20 38.289 39.776 2.581 1.00 5.81 N ATOM 278 H TYR A 20 37.319 39.717 2.853 1.00 5.81 H ATOM 279 CA TYR A 20 39.274 40.309 3.524 1.00 5.81 C ATOM 280 HA TYR A 20 39.870 41.070 3.019 1.00 5.81 H ATOM 281 C TYR A 20 40.201 39.193 3.997 1.00 5.81 C ATOM 282 O TYR A 20 41.376 39.419 4.250 1.00 5.81 O ATOM 283 CB TYR A 20 38.596 40.960 4.730 1.00 5.81 C ATOM 284 1HB TYR A 20 37.744 41.542 4.381 1.00 5.81 H ATOM 285 2HB TYR A 20 38.235 40.179 5.394 1.00 5.81 H ATOM 286 CG TYR A 20 39.508 41.882 5.513 1.00 5.81 C ATOM 287 CD1 TYR A 20 39.505 43.271 5.266 1.00 5.81 C ATOM 288 HD1 TYR A 20 38.840 43.683 4.520 1.00 5.81 H ATOM 289 CD2 TYR A 20 40.388 41.379 6.494 1.00 5.81 C ATOM 290 HD2 TYR A 20 40.431 40.319 6.686 1.00 5.81 H ATOM 291 CE1 TYR A 20 40.361 44.144 5.995 1.00 5.81 C ATOM 292 HE1 TYR A 20 40.349 45.205 5.797 1.00 5.81 H ATOM 293 CE2 TYR A 20 41.242 42.247 7.224 1.00 5.81 C ATOM 294 HE2 TYR A 20 41.919 41.853 7.967 1.00 5.81 H ATOM 295 CZ TYR A 20 41.215 43.619 6.970 1.00 5.81 C ATOM 296 OH TYR A 20 42.034 44.452 7.688 1.00 5.81 O ATOM 297 HH TYR A 20 41.955 45.369 7.420 1.00 5.81 H ATOM 298 N ALA A 21 39.691 37.970 4.080 1.00 2.60 N ATOM 299 H ALA A 21 38.724 37.810 3.856 1.00 2.60 H ATOM 300 CA ALA A 21 40.528 36.838 4.468 1.00 2.60 C ATOM 301 HA ALA A 21 41.031 37.076 5.406 1.00 2.60 H ATOM 302 C ALA A 21 41.592 36.629 3.391 1.00 2.60 C ATOM 303 O ALA A 21 42.772 36.493 3.690 1.00 2.60 O ATOM 304 CB ALA A 21 39.676 35.573 4.659 1.00 2.60 C ATOM 305 1HB ALA A 21 38.905 35.754 5.409 1.00 2.60 H ATOM 306 2HB ALA A 21 40.317 34.763 5.011 1.00 2.60 H ATOM 307 3HB ALA A 21 39.213 35.275 3.720 1.00 2.60 H ATOM 308 N TRP A 22 41.180 36.668 2.131 1.00-19.69 N ATOM 309 H TRP A 22 40.190 36.761 1.923 1.00-19.69 H ATOM 310 CA TRP A 22 42.135 36.562 1.032 1.00-19.69 C ATOM 311 HA TRP A 22 42.692 35.631 1.139 1.00-19.69 H ATOM 312 C TRP A 22 43.139 37.709 1.070 1.00-19.69 C ATOM 313 O TRP A 22 44.332 37.485 0.905 1.00-19.69 O ATOM 314 CB TRP A 22 41.413 36.550 -0.318 1.00-19.69 C ATOM 315 1HB TRP A 22 40.680 35.744 -0.323 1.00-19.69 H ATOM 316 2HB TRP A 22 40.895 37.497 -0.459 1.00-19.69 H ATOM 317 CG TRP A 22 42.374 36.351 -1.451 1.00-19.69 C ATOM 318 CD1 TRP A 22 42.794 35.168 -1.974 1.00-19.69 C ATOM 319 HD1 TRP A 22 42.444 34.201 -1.640 1.00-19.69 H ATOM 320 CD2 TRP A 22 43.082 37.368 -2.188 1.00-19.69 C ATOM 321 NE1 TRP A 22 43.724 35.358 -2.960 1.00-19.69 N ATOM 322 HE1 TRP A 22 44.167 34.615 -3.479 1.00-19.69 H ATOM 323 CE2 TRP A 22 43.947 36.700 -3.102 1.00-19.69 C ATOM 324 CE3 TRP A 22 43.093 38.778 -2.151 1.00-19.69 C ATOM 325 HE3 TRP A 22 42.440 39.312 -1.479 1.00-19.69 H ATOM 326 CZ2 TRP A 22 44.829 37.398 -3.954 1.00-19.69 C ATOM 327 HZ2 TRP A 22 45.477 36.868 -4.635 1.00-19.69 H ATOM 328 CZ3 TRP A 22 43.979 39.486 -3.005 1.00-19.69 C ATOM 329 HZ3 TRP A 22 44.002 40.566 -2.979 1.00-19.69 H ATOM 330 CH2 TRP A 22 44.842 38.781 -3.894 1.00-19.69 C ATOM 331 HH2 TRP A 22 45.516 39.336 -4.532 1.00-19.69 H ATOM 332 N ALA A 23 42.680 38.925 1.332 1.00-15.24 N ATOM 333 H ALA A 23 41.682 39.069 1.453 1.00-15.24 H ATOM 334 CA ALA A 23 43.574 40.075 1.408 1.00-15.24 C ATOM 335 HA ALA A 23 44.123 40.145 0.467 1.00-15.24 H ATOM 336 C ALA A 23 44.599 39.912 2.534 1.00-15.24 C ATOM 337 O ALA A 23 45.772 40.220 2.359 1.00-15.24 O ATOM 338 CB ALA A 23 42.758 41.360 1.596 1.00-15.24 C ATOM 339 1HB ALA A 23 42.033 41.458 0.786 1.00-15.24 H ATOM 340 2HB ALA A 23 43.430 42.219 1.580 1.00-15.24 H ATOM 341 3HB ALA A 23 42.234 41.335 2.552 1.00-15.24 H ATOM 342 N ASN A 24 44.180 39.400 3.682 1.00 6.12 N ATOM 343 H ASN A 24 43.191 39.195 3.811 1.00 6.12 H ATOM 344 CA ASN A 24 45.112 39.142 4.777 1.00 6.12 C ATOM 345 HA ASN A 24 45.635 40.066 5.023 1.00 6.12 H ATOM 346 C ASN A 24 46.155 38.095 4.392 1.00 6.12 C ATOM 347 O ASN A 24 47.340 38.256 4.678 1.00 6.12 O ATOM 348 CB ASN A 24 44.373 38.652 6.020 1.00 6.12 C ATOM 349 1HB ASN A 24 43.587 39.359 6.283 1.00 6.12 H ATOM 350 2HB ASN A 24 43.918 37.689 5.804 1.00 6.12 H ATOM 351 CG ASN A 24 45.300 38.492 7.194 1.00 6.12 C ATOM 352 OD1 ASN A 24 45.957 39.427 7.610 1.00 6.12 O ATOM 353 ND2 ASN A 24 45.404 37.299 7.705 1.00 6.12 N ATOM 354 1HD2 ASN A 24 46.038 37.157 8.470 1.00 6.12 H ATOM 355 2HD2 ASN A 24 44.852 36.536 7.320 1.00 6.12 H ATOM 356 N ILE A 25 45.735 37.032 3.721 1.00-13.84 N ATOM 357 H ILE A 25 44.743 36.931 3.511 1.00-13.84 H ATOM 358 CA ILE A 25 46.660 35.984 3.280 1.00-13.84 C ATOM 359 HA ILE A 25 47.251 35.653 4.132 1.00-13.84 H ATOM 360 C ILE A 25 47.619 36.575 2.248 1.00-13.84 C ATOM 361 O ILE A 25 48.825 36.320 2.297 1.00-13.84 O ATOM 362 CB ILE A 25 45.890 34.755 2.696 1.00-13.84 C ATOM 363 HB ILE A 25 45.218 35.111 1.915 1.00-13.84 H ATOM 364 CG1 ILE A 25 45.055 34.086 3.808 1.00-13.84 C ATOM 365 1HG1 ILE A 25 45.729 33.535 4.464 1.00-13.84 H ATOM 366 2HG1 ILE A 25 44.578 34.855 4.407 1.00-13.84 H ATOM 367 CG2 ILE A 25 46.860 33.711 2.075 1.00-13.84 C ATOM 368 1HG2 ILE A 25 46.301 32.858 1.691 1.00-13.84 H ATOM 369 2HG2 ILE A 25 47.575 33.365 2.824 1.00-13.84 H ATOM 370 3HG2 ILE A 25 47.405 34.155 1.241 1.00-13.84 H ATOM 371 CD1 ILE A 25 43.951 33.135 3.321 1.00-13.84 C ATOM 372 1HD1 ILE A 25 43.384 32.776 4.180 1.00-13.84 H ATOM 373 2HD1 ILE A 25 44.386 32.281 2.802 1.00-13.84 H ATOM 374 3HD1 ILE A 25 43.277 33.667 2.649 1.00-13.84 H ATOM 375 N ALA A 26 47.122 37.410 1.347 1.00-13.66 N ATOM 376 H ALA A 26 46.120 37.591 1.328 1.00-13.66 H ATOM 377 CA ALA A 26 47.971 38.055 0.354 1.00-13.66 C ATOM 378 HA ALA A 26 48.525 37.281 -0.178 1.00-13.66 H ATOM 379 C ALA A 26 48.987 38.982 1.030 1.00-13.66 C ATOM 380 O ALA A 26 50.169 38.946 0.703 1.00-13.66 O ATOM 381 CB ALA A 26 47.106 38.825 -0.655 1.00-13.66 C ATOM 382 1HB ALA A 26 46.394 38.145 -1.127 1.00-13.66 H ATOM 383 2HB ALA A 26 47.742 39.265 -1.423 1.00-13.66 H ATOM 384 3HB ALA A 26 46.555 39.620 -0.150 1.00-13.66 H ATOM 385 N ASN A 27 48.559 39.772 2.004 1.00-14.34 N ATOM 386 H ASN A 27 47.567 39.788 2.236 1.00-14.34 H ATOM 387 CA ASN A 27 49.476 40.671 2.708 1.00-14.34 C ATOM 388 HA ASN A 27 49.989 41.288 1.968 1.00-14.34 H ATOM 389 C ASN A 27 50.531 39.892 3.483 1.00-14.34 C ATOM 390 O ASN A 27 51.686 40.299 3.560 1.00-14.34 O ATOM 391 CB ASN A 27 48.723 41.577 3.689 1.00-14.34 C ATOM 392 1HB ASN A 27 48.091 40.967 4.332 1.00-14.34 H ATOM 393 2HB ASN A 27 49.451 42.098 4.309 1.00-14.34 H ATOM 394 CG ASN A 27 47.875 42.613 2.995 1.00-14.34 C ATOM 395 OD1 ASN A 27 48.203 43.086 1.922 1.00-14.34 O ATOM 396 ND2 ASN A 27 46.793 42.995 3.615 1.00-14.34 N ATOM 397 1HD2 ASN A 27 46.214 43.687 3.173 1.00-14.34 H ATOM 398 2HD2 ASN A 27 46.550 42.594 4.503 1.00-14.34 H ATOM 399 N ASN A 28 50.155 38.751 4.038 1.00-15.51 N ATOM 400 H ASN A 28 49.180 38.467 3.989 1.00-15.51 H ATOM 401 CA ASN A 28 51.114 37.903 4.743 1.00-15.51 C ATOM 402 HA ASN A 28 51.699 38.512 5.435 1.00-15.51 H ATOM 403 C ASN A 28 52.081 37.274 3.750 1.00-15.51 C ATOM 404 O ASN A 28 53.255 37.103 4.045 1.00-15.51 O ATOM 405 CB ASN A 28 50.397 36.814 5.542 1.00-15.51 C ATOM 406 1HB ASN A 28 49.495 36.507 5.016 1.00-15.51 H ATOM 407 2HB ASN A 28 51.060 35.954 5.632 1.00-15.51 H ATOM 408 CG ASN A 28 50.053 37.266 6.936 1.00-15.51 C ATOM 409 OD1 ASN A 28 50.852 37.139 7.843 1.00-15.51 O ATOM 410 ND2 ASN A 28 48.884 37.810 7.118 1.00-15.51 N ATOM 411 1HD2 ASN A 28 48.640 38.138 8.036 1.00-15.51 H ATOM 412 2HD2 ASN A 28 48.248 37.930 6.339 1.00-15.51 H ATOM 413 N SER A 29 51.620 36.971 2.548 1.00-12.39 N ATOM 414 H SER A 29 50.634 37.096 2.339 1.00-12.39 H ATOM 415 CA SER A 29 52.507 36.441 1.515 1.00-12.39 C ATOM 416 HA SER A 29 53.054 35.596 1.932 1.00-12.39 H ATOM 417 C SER A 29 53.519 37.496 1.070 1.00-12.39 C ATOM 418 O SER A 29 54.690 37.184 0.867 1.00-12.39 O ATOM 419 CB SER A 29 51.696 35.952 0.316 1.00-12.39 C ATOM 420 1HB SER A 29 51.174 36.792 -0.140 1.00-12.39 H ATOM 421 2HB SER A 29 52.370 35.511 -0.419 1.00-12.39 H ATOM 422 OG SER A 29 50.747 34.982 0.733 1.00-12.39 O ATOM 423 HG SER A 29 50.071 35.415 1.277 1.00-12.39 H ATOM 424 N VAL A 30 53.099 38.752 0.978 1.00-18.40 N ATOM 425 H VAL A 30 52.113 38.963 1.119 1.00-18.40 H ATOM 426 CA VAL A 30 54.019 39.849 0.660 1.00-18.40 C ATOM 427 HA VAL A 30 54.589 39.584 -0.230 1.00-18.40 H ATOM 428 C VAL A 30 55.009 40.027 1.809 1.00-18.40 C ATOM 429 O VAL A 30 56.208 40.169 1.577 1.00-18.40 O ATOM 430 CB VAL A 30 53.254 41.183 0.383 1.00-18.40 C ATOM 431 HB VAL A 30 52.618 41.405 1.238 1.00-18.40 H ATOM 432 CG1 VAL A 30 54.215 42.367 0.173 1.00-18.40 C ATOM 433 1HG1 VAL A 30 53.646 43.265 -0.073 1.00-18.40 H ATOM 434 2HG1 VAL A 30 54.913 42.150 -0.637 1.00-18.40 H ATOM 435 3HG1 VAL A 30 54.777 42.560 1.088 1.00-18.40 H ATOM 436 CG2 VAL A 30 52.370 41.046 -0.867 1.00-18.40 C ATOM 437 1HG2 VAL A 30 51.799 41.965 -1.013 1.00-18.40 H ATOM 438 2HG2 VAL A 30 51.666 40.226 -0.754 1.00-18.40 H ATOM 439 3HG2 VAL A 30 52.986 40.863 -1.748 1.00-18.40 H ATOM 440 N MET A 31 54.544 39.955 3.048 1.00-12.33 N ATOM 441 H MET A 31 53.545 39.849 3.208 1.00-12.33 H ATOM 442 CA MET A 31 55.437 40.057 4.202 1.00-12.33 C ATOM 443 HA MET A 31 55.979 41.000 4.145 1.00-12.33 H ATOM 444 C MET A 31 56.458 38.921 4.217 1.00-12.33 C ATOM 445 O MET A 31 57.640 39.144 4.473 1.00-12.33 O ATOM 446 CB MET A 31 54.619 40.022 5.495 1.00-12.33 C ATOM 447 1HB MET A 31 53.874 40.816 5.461 1.00-12.33 H ATOM 448 2HB MET A 31 54.100 39.069 5.543 1.00-12.33 H ATOM 449 CG MET A 31 55.448 40.183 6.763 1.00-12.33 C ATOM 450 1HG MET A 31 56.211 39.405 6.798 1.00-12.33 H ATOM 451 2HG MET A 31 55.939 41.157 6.745 1.00-12.33 H ATOM 452 SD MET A 31 54.435 40.058 8.248 1.00-12.33 S ATOM 453 CE MET A 31 54.083 38.268 8.319 1.00-12.33 C ATOM 454 1HE MET A 31 53.522 38.043 9.227 1.00-12.33 H ATOM 455 2HE MET A 31 55.016 37.703 8.323 1.00-12.33 H ATOM 456 3HE MET A 31 53.485 37.969 7.458 1.00-12.33 H ATOM 457 N ASN A 32 56.031 37.707 3.909 1.00-12.44 N ATOM 458 H ASN A 32 55.041 37.554 3.729 1.00-12.44 H ATOM 459 CA ASN A 32 56.945 36.567 3.886 1.00-12.44 C ATOM 460 HA ASN A 32 57.509 36.554 4.817 1.00-12.44 H ATOM 461 C ASN A 32 57.939 36.697 2.737 1.00-12.44 C ATOM 462 O ASN A 32 59.110 36.348 2.876 1.00-12.44 O ATOM 463 CB ASN A 32 56.173 35.249 3.771 1.00-12.44 C ATOM 464 1HB ASN A 32 55.493 35.300 2.923 1.00-12.44 H ATOM 465 2HB ASN A 32 56.887 34.444 3.601 1.00-12.44 H ATOM 466 CG ASN A 32 55.390 34.925 5.021 1.00-12.44 C ATOM 467 OD1 ASN A 32 55.741 35.331 6.115 1.00-12.44 O ATOM 468 ND2 ASN A 32 54.332 34.177 4.873 1.00-12.44 N ATOM 469 1HD2 ASN A 32 53.801 33.947 5.695 1.00-12.44 H ATOM 470 2HD2 ASN A 32 54.060 33.857 3.962 1.00-12.44 H ATOM 471 N GLY A 33 57.497 37.247 1.616 1.00 -4.14 N ATOM 472 H GLY A 33 56.514 37.491 1.518 1.00 -4.14 H ATOM 473 CA GLY A 33 58.398 37.493 0.504 1.00 -4.14 C ATOM 474 1HA GLY A 33 58.912 36.565 0.249 1.00 -4.14 H ATOM 475 2HA GLY A 33 57.827 37.833 -0.359 1.00 -4.14 H ATOM 476 C GLY A 33 59.432 38.542 0.855 1.00 -4.14 C ATOM 477 O GLY A 33 60.612 38.379 0.566 1.00 -4.14 O ATOM 478 N LEU A 34 59.016 39.609 1.521 1.00 -7.28 N ATOM 479 H LEU A 34 58.024 39.716 1.726 1.00 -7.28 H ATOM 480 CA LEU A 34 59.943 40.657 1.940 1.00 -7.28 C ATOM 481 HA LEU A 34 60.502 40.994 1.067 1.00 -7.28 H ATOM 482 C LEU A 34 60.932 40.141 2.980 1.00 -7.28 C ATOM 483 O LEU A 34 62.129 40.426 2.918 1.00 -7.28 O ATOM 484 CB LEU A 34 59.155 41.834 2.530 1.00 -7.28 C ATOM 485 1HB LEU A 34 58.427 42.159 1.787 1.00 -7.28 H ATOM 486 2HB LEU A 34 58.601 41.463 3.391 1.00 -7.28 H ATOM 487 CG LEU A 34 59.959 43.062 2.989 1.00 -7.28 C ATOM 488 HG LEU A 34 60.690 42.743 3.730 1.00 -7.28 H ATOM 489 CD1 LEU A 34 60.702 43.748 1.843 1.00 -7.28 C ATOM 490 1HD1 LEU A 34 61.241 44.618 2.222 1.00 -7.28 H ATOM 491 2HD1 LEU A 34 59.999 44.067 1.072 1.00 -7.28 H ATOM 492 3HD1 LEU A 34 61.429 43.064 1.408 1.00 -7.28 H ATOM 493 CD2 LEU A 34 59.020 44.061 3.659 1.00 -7.28 C ATOM 494 1HD2 LEU A 34 59.592 44.915 4.023 1.00 -7.28 H ATOM 495 2HD2 LEU A 34 58.523 43.590 4.507 1.00 -7.28 H ATOM 496 3HD2 LEU A 34 58.269 44.409 2.949 1.00 -7.28 H ATOM 497 N THR A 35 60.458 39.383 3.953 1.00 17.54 N ATOM 498 H THR A 35 59.468 39.155 3.996 1.00 17.54 H ATOM 499 CA THR A 35 61.354 38.909 5.000 1.00 17.54 C ATOM 500 HA THR A 35 61.955 39.751 5.328 1.00 17.54 H ATOM 501 C THR A 35 62.319 37.855 4.476 1.00 17.54 C ATOM 502 O THR A 35 63.514 37.947 4.742 1.00 17.54 O ATOM 503 CB THR A 35 60.596 38.372 6.227 1.00 17.54 C ATOM 504 HB THR A 35 61.295 37.858 6.888 1.00 17.54 H ATOM 505 OG1 THR A 35 59.574 37.473 5.800 1.00 17.54 O ATOM 506 HG1 THR A 35 58.791 37.994 5.582 1.00 17.54 H ATOM 507 CG2 THR A 35 59.914 39.493 6.997 1.00 17.54 C ATOM 508 1HG2 THR A 35 59.349 39.064 7.825 1.00 17.54 H ATOM 509 2HG2 THR A 35 59.231 40.045 6.351 1.00 17.54 H ATOM 510 3HG2 THR A 35 60.664 40.175 7.398 1.00 17.54 H ATOM 511 N GLY A 36 61.851 36.901 3.685 1.00 4.66 N ATOM 512 H GLY A 36 60.856 36.852 3.466 1.00 4.66 H ATOM 513 CA GLY A 36 62.741 35.870 3.176 1.00 4.66 C ATOM 514 1HA GLY A 36 63.379 35.523 3.989 1.00 4.66 H ATOM 515 2HA GLY A 36 62.141 35.029 2.829 1.00 4.66 H ATOM 516 C GLY A 36 63.632 36.321 2.037 1.00 4.66 C ATOM 517 O GLY A 36 64.789 35.933 1.958 1.00 4.66 O ATOM 518 N GLY A 37 63.108 37.153 1.149 1.00 0.97 N ATOM 519 H GLY A 37 62.144 37.467 1.238 1.00 0.97 H ATOM 520 CA GLY A 37 63.864 37.588 -0.015 1.00 0.97 C ATOM 521 1HA GLY A 37 64.512 36.776 -0.344 1.00 0.97 H ATOM 522 2HA GLY A 37 63.157 37.799 -0.818 1.00 0.97 H ATOM 523 C GLY A 37 64.716 38.823 0.184 1.00 0.97 C ATOM 524 O GLY A 37 65.554 39.127 -0.659 1.00 0.97 O ATOM 525 N ASN A 38 64.502 39.560 1.266 1.00 22.65 N ATOM 526 H ASN A 38 63.787 39.286 1.925 1.00 22.65 H ATOM 527 CA ASN A 38 65.276 40.778 1.508 1.00 22.65 C ATOM 528 HA ASN A 38 66.191 40.718 0.919 1.00 22.65 H ATOM 529 C ASN A 38 65.733 41.012 2.944 1.00 22.65 C ATOM 530 O ASN A 38 66.893 41.347 3.144 1.00 22.65 O ATOM 531 CB ASN A 38 64.489 41.993 1.014 1.00 22.65 C ATOM 532 1HB ASN A 38 64.207 41.830 -0.024 1.00 22.65 H ATOM 533 2HB ASN A 38 63.587 42.107 1.610 1.00 22.65 H ATOM 534 CG ASN A 38 65.279 43.267 1.114 1.00 22.65 C ATOM 535 OD1 ASN A 38 65.233 43.960 2.113 1.00 22.65 O ATOM 536 ND2 ASN A 38 65.995 43.597 0.076 1.00 22.65 N ATOM 537 1HD2 ASN A 38 66.507 44.462 0.108 1.00 22.65 H ATOM 538 2HD2 ASN A 38 66.029 42.994 -0.729 1.00 22.65 H ATOM 539 N ALA A 39 64.889 40.830 3.951 1.00 15.71 N ATOM 540 H ALA A 39 63.924 40.569 3.774 1.00 15.71 H ATOM 541 CA ALA A 39 65.358 41.061 5.320 1.00 15.71 C ATOM 542 HA ALA A 39 65.811 42.054 5.358 1.00 15.71 H ATOM 543 C ALA A 39 66.441 40.039 5.688 1.00 15.71 C ATOM 544 O ALA A 39 67.493 40.402 6.196 1.00 15.71 O ATOM 545 CB ALA A 39 64.198 41.022 6.320 1.00 15.71 C ATOM 546 1HB ALA A 39 63.400 41.688 5.989 1.00 15.71 H ATOM 547 2HB ALA A 39 64.559 41.354 7.295 1.00 15.71 H ATOM 548 3HB ALA A 39 63.822 40.005 6.416 1.00 15.71 H ATOM 549 N GLY A 40 66.209 38.781 5.336 1.00 7.75 N ATOM 550 H GLY A 40 65.321 38.536 4.907 1.00 7.75 H ATOM 551 CA GLY A 40 67.170 37.709 5.568 1.00 7.75 C ATOM 552 1HA GLY A 40 67.605 37.833 6.561 1.00 7.75 H ATOM 553 2HA GLY A 40 66.645 36.755 5.543 1.00 7.75 H ATOM 554 C GLY A 40 68.308 37.652 4.565 1.00 7.75 C ATOM 555 O GLY A 40 69.017 36.659 4.455 1.00 7.75 O ATOM 556 N TRP A 41 68.455 38.718 3.792 1.00-13.31 N ATOM 557 H TRP A 41 67.801 39.482 3.881 1.00-13.31 H ATOM 558 CA TRP A 41 69.556 38.862 2.845 1.00-13.31 C ATOM 559 HA TRP A 41 70.025 37.895 2.662 1.00-13.31 H ATOM 560 C TRP A 41 70.589 39.815 3.452 1.00-13.31 C ATOM 561 O TRP A 41 71.723 39.904 2.991 1.00-13.31 O ATOM 562 CB TRP A 41 69.004 39.405 1.524 1.00-13.31 C ATOM 563 1HB TRP A 41 68.006 38.992 1.380 1.00-13.31 H ATOM 564 2HB TRP A 41 68.920 40.488 1.589 1.00-13.31 H ATOM 565 CG TRP A 41 69.818 39.049 0.319 1.00-13.31 C ATOM 566 CD1 TRP A 41 69.687 37.938 -0.451 1.00-13.31 C ATOM 567 HD1 TRP A 41 68.961 37.157 -0.261 1.00-13.31 H ATOM 568 CD2 TRP A 41 70.877 39.813 -0.288 1.00-13.31 C ATOM 569 NE1 TRP A 41 70.575 37.939 -1.493 1.00-13.31 N ATOM 570 HE1 TRP A 41 70.650 37.206 -2.181 1.00-13.31 H ATOM 571 CE2 TRP A 41 71.318 39.087 -1.432 1.00-13.31 C ATOM 572 CE3 TRP A 41 71.495 41.044 0.010 1.00-13.31 C ATOM 573 HE3 TRP A 41 71.202 41.600 0.887 1.00-13.31 H ATOM 574 CZ2 TRP A 41 72.337 39.564 -2.283 1.00-13.31 C ATOM 575 HZ2 TRP A 41 72.653 38.993 -3.142 1.00-13.31 H ATOM 576 CZ3 TRP A 41 72.515 41.533 -0.845 1.00-13.31 C ATOM 577 HZ3 TRP A 41 72.989 42.479 -0.623 1.00-13.31 H ATOM 578 CH2 TRP A 41 72.924 40.782 -1.986 1.00-13.31 C ATOM 579 HH2 TRP A 41 73.704 41.170 -2.625 1.00-13.31 H ATOM 580 N HIS A 42 70.180 40.537 4.489 1.00-10.03 N ATOM 581 H HIS A 42 69.255 40.392 4.869 1.00-10.03 H ATOM 582 CA HIS A 42 71.012 41.570 5.112 1.00-10.03 C ATOM 583 HA HIS A 42 71.999 41.572 4.650 1.00-10.03 H ATOM 584 C HIS A 42 71.196 41.351 6.613 1.00-10.03 C ATOM 585 O HIS A 42 71.815 42.174 7.291 1.00-10.03 O ATOM 586 CB HIS A 42 70.373 42.948 4.901 1.00-10.03 C ATOM 587 1HB HIS A 42 69.393 42.958 5.379 1.00-10.03 H ATOM 588 2HB HIS A 42 70.998 43.699 5.384 1.00-10.03 H ATOM 589 CG HIS A 42 70.217 43.337 3.463 1.00-10.03 C ATOM 590 ND1 HIS A 42 69.098 43.092 2.706 1.00-10.03 N ATOM 591 HD1 HIS A 42 68.266 42.591 3.012 1.00-10.03 H ATOM 592 CD2 HIS A 42 71.064 43.998 2.630 1.00-10.03 C ATOM 593 HD2 HIS A 42 72.052 44.342 2.901 1.00-10.03 H ATOM 594 CE1 HIS A 42 69.295 43.602 1.491 1.00-10.03 C ATOM 595 HE1 HIS A 42 68.582 43.543 0.682 1.00-10.03 H ATOM 596 NE2 HIS A 42 70.476 44.179 1.396 1.00-10.03 N ATOM 597 N ASN A 43 70.632 40.274 7.140 1.00-11.27 N ATOM 598 H ASN A 43 70.191 39.570 6.554 1.00-11.27 H ATOM 599 CA ASN A 43 70.621 39.971 8.567 1.00-11.27 C ATOM 600 HA ASN A 43 71.550 40.277 9.046 1.00-11.27 H ATOM 601 C ASN A 43 70.492 38.458 8.538 1.00-11.27 C ATOM 602 O ASN A 43 69.936 38.020 7.510 1.00-11.27 O ATOM 603 OXT ASN A 43 70.905 37.751 9.479 1.00-11.27 O ATOM 604 CB ASN A 43 69.395 40.623 9.235 1.00-11.27 C ATOM 605 1HB ASN A 43 69.302 41.646 8.876 1.00-11.27 H ATOM 606 2HB ASN A 43 68.505 40.067 8.945 1.00-11.27 H ATOM 607 CG ASN A 43 69.482 40.669 10.748 1.00-11.27 C ATOM 608 OD1 ASN A 43 69.130 41.668 11.358 1.00-11.27 O ATOM 609 ND2 ASN A 43 69.930 39.616 11.367 1.00-11.27 N ATOM 610 1HD2 ASN A 43 69.975 39.621 12.364 1.00-11.27 H ATOM 611 2HD2 ASN A 43 70.245 38.811 10.820 1.00-11.27 H TER 612 ASN A 43 CONECT 131 128 206 CONECT 206 131 203 END
SEQUENCE	KNYGNGVHCTKKGCSVDWGYAWANIANNSVMNGLTGGNAGWHN
HELICITY	18.60	INSTAB. INDEX	21.59	FLEXIBILITY	17.77
a HYD. MOM.	16.89	b HYD. MOM.	6.06	c HYD. MOM	1.86
a MEAN HYD. MOM.	0.39	b MEAN HYD. MOM.	0.14	c MEAN HYD. MOM.	0.04
CHARGE pH5	3.89	CHARGE pH7	2.09	CHARGE pH9	-0.09
Δ CHARGE pH5-pH9	3.98	ISOELECTRIC POINT	8.79	BOMAN INDEX	1.20
ΔG	24	CPP	-0,62	MLP	-14,96
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	Bacilli	ORDER	Lactobacillales
FAMILY	Leuconostocaceae	GENUS	Leuconostoc	SPECIES	Leuconostoc mesenteroides
DATE	2002
TITLE PAPER	The complete amino acid sequence of the pediocin-like antimicrobial peptide leucocin C