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ID	2387	NAME	Bacteriocin curvacin-A   Blast NCBI-PROT
LENGTH	41	DISULFIDE BRIDGE	1		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\ARSYGNGVYCNNKKCWVNRGEATQSIIGGMISGWASGLAGM.pdb REMARK YASARA Written on: Wed May 14 19:33:55 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 589 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 41 ALA ARG SER TYR GLY ASN GLY VAL TYR CYS ASN ASN LYS SEQRES 2 A 41 LYS CYS TRP VAL ASN ARG GLY GLU ALA THR GLN SER ILE SEQRES 3 A 41 ILE GLY GLY MET ILE SER GLY TRP ALA SER GLY LEU ALA SEQRES 4 A 41 GLY MET 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 10 CYS A 15 2.03 ATOM 1 N ALA A 1 29.751 18.302 4.608 1.00-20.62 N ATOM 2 1H ALA A 1 28.929 17.850 4.984 1.00-20.62 H ATOM 3 2H ALA A 1 30.160 17.717 3.895 1.00-20.62 H ATOM 4 3H ALA A 1 29.485 19.192 4.210 1.00-20.62 H ATOM 5 CA ALA A 1 30.736 18.526 5.705 1.00-20.62 C ATOM 6 HA ALA A 1 30.980 17.567 6.162 1.00-20.62 H ATOM 7 C ALA A 1 30.108 19.418 6.761 1.00-20.62 C ATOM 8 O ALA A 1 29.033 19.953 6.522 1.00-20.62 O ATOM 9 CB ALA A 1 32.037 19.161 5.154 1.00-20.62 C ATOM 10 1HB ALA A 1 32.475 18.517 4.389 1.00-20.62 H ATOM 11 2HB ALA A 1 32.761 19.286 5.962 1.00-20.62 H ATOM 12 3HB ALA A 1 31.822 20.141 4.721 1.00-20.62 H ATOM 13 N ARG A 2 30.771 19.598 7.895 1.00 1.53 N ATOM 14 H ARG A 2 31.650 19.098 8.040 1.00 1.53 H ATOM 15 CA ARG A 2 30.396 20.584 8.918 1.00 1.53 C ATOM 16 HA ARG A 2 29.681 21.309 8.528 1.00 1.53 H ATOM 17 C ARG A 2 31.731 21.273 9.141 1.00 1.53 C ATOM 18 O ARG A 2 32.693 20.881 8.489 1.00 1.53 O ATOM 19 CB ARG A 2 29.831 19.898 10.174 1.00 1.53 C ATOM 20 1HB ARG A 2 30.418 19.005 10.388 1.00 1.53 H ATOM 21 2HB ARG A 2 29.902 20.578 11.022 1.00 1.53 H ATOM 22 CG ARG A 2 28.359 19.526 9.994 1.00 1.53 C ATOM 23 1HG ARG A 2 27.781 20.448 9.926 1.00 1.53 H ATOM 24 2HG ARG A 2 28.250 18.991 9.054 1.00 1.53 H ATOM 25 CD ARG A 2 27.768 18.659 11.104 1.00 1.53 C ATOM 26 1HD ARG A 2 28.290 17.705 11.128 1.00 1.53 H ATOM 27 2HD ARG A 2 27.892 19.160 12.065 1.00 1.53 H ATOM 28 NE ARG A 2 26.335 18.442 10.845 1.00 1.53 N ATOM 29 HE ARG A 2 25.908 19.058 10.173 1.00 1.53 H ATOM 30 CZ ARG A 2 25.541 17.544 11.418 1.00 1.53 C ATOM 31 NH1 ARG A 2 24.262 17.601 11.169 1.00 1.53 N ATOM 32 1HH1 ARG A 2 23.885 18.327 10.586 1.00 1.53 H ATOM 33 2HH1 ARG A 2 23.647 16.908 11.561 1.00 1.53 H ATOM 34 NH2 ARG A 2 25.947 16.580 12.200 1.00 1.53 N ATOM 35 1HH2 ARG A 2 26.935 16.408 12.346 1.00 1.53 H ATOM 36 2HH2 ARG A 2 25.284 15.965 12.635 1.00 1.53 H ATOM 37 N SER A 3 31.825 22.234 10.047 1.00 12.43 N ATOM 38 H SER A 3 31.019 22.521 10.586 1.00 12.43 H ATOM 39 CA SER A 3 33.085 22.928 10.338 1.00 12.43 C ATOM 40 HA SER A 3 33.435 23.468 9.456 1.00 12.43 H ATOM 41 C SER A 3 34.178 21.963 10.790 1.00 12.43 C ATOM 42 O SER A 3 35.356 22.145 10.536 1.00 12.43 O ATOM 43 CB SER A 3 32.795 23.907 11.468 1.00 12.43 C ATOM 44 1HB SER A 3 33.686 24.038 12.085 1.00 12.43 H ATOM 45 2HB SER A 3 32.490 24.866 11.049 1.00 12.43 H ATOM 46 OG SER A 3 31.724 23.371 12.237 1.00 12.43 O ATOM 47 HG SER A 3 31.650 23.882 13.053 1.00 12.43 H ATOM 48 N TYR A 4 33.736 20.881 11.408 1.00 -6.49 N ATOM 49 H TYR A 4 32.751 20.819 11.596 1.00 -6.49 H ATOM 50 CA TYR A 4 34.579 19.790 11.891 1.00 -6.49 C ATOM 51 HA TYR A 4 35.450 20.215 12.392 1.00 -6.49 H ATOM 52 C TYR A 4 35.055 18.834 10.786 1.00 -6.49 C ATOM 53 O TYR A 4 35.615 17.753 11.045 1.00 -6.49 O ATOM 54 CB TYR A 4 33.728 19.040 12.910 1.00 -6.49 C ATOM 55 1HB TYR A 4 32.973 18.476 12.372 1.00 -6.49 H ATOM 56 2HB TYR A 4 34.346 18.351 13.475 1.00 -6.49 H ATOM 57 CG TYR A 4 33.015 19.981 13.858 1.00 -6.49 C ATOM 58 CD1 TYR A 4 31.624 20.203 13.743 1.00 -6.49 C ATOM 59 HD1 TYR A 4 31.054 19.668 13.000 1.00 -6.49 H ATOM 60 CD2 TYR A 4 33.725 20.679 14.856 1.00 -6.49 C ATOM 61 HD2 TYR A 4 34.789 20.522 14.972 1.00 -6.49 H ATOM 62 CE1 TYR A 4 30.960 21.115 14.602 1.00 -6.49 C ATOM 63 HE1 TYR A 4 29.898 21.285 14.511 1.00 -6.49 H ATOM 64 CE2 TYR A 4 33.061 21.592 15.717 1.00 -6.49 C ATOM 65 HE2 TYR A 4 33.618 22.118 16.479 1.00 -6.49 H ATOM 66 CZ TYR A 4 31.686 21.802 15.577 1.00 -6.49 C ATOM 67 OH TYR A 4 31.034 22.690 16.392 1.00 -6.49 O ATOM 68 HH TYR A 4 31.612 23.077 17.053 1.00 -6.49 H ATOM 69 N GLY A 5 34.805 19.218 9.542 1.00 21.64 N ATOM 70 H GLY A 5 34.338 20.104 9.375 1.00 21.64 H ATOM 71 CA GLY A 5 35.164 18.414 8.391 1.00 21.64 C ATOM 72 1HA GLY A 5 35.228 19.045 7.504 1.00 21.64 H ATOM 73 2HA GLY A 5 36.138 17.962 8.570 1.00 21.64 H ATOM 74 C GLY A 5 34.149 17.318 8.154 1.00 21.64 C ATOM 75 O GLY A 5 32.930 17.506 8.223 1.00 21.64 O ATOM 76 N ASN A 6 34.697 16.138 7.914 1.00 20.67 N ATOM 77 H ASN A 6 35.709 16.068 7.856 1.00 20.67 H ATOM 78 CA ASN A 6 33.962 14.879 7.783 1.00 20.67 C ATOM 79 HA ASN A 6 32.912 15.088 7.578 1.00 20.67 H ATOM 80 C ASN A 6 34.035 14.122 9.116 1.00 20.67 C ATOM 81 O ASN A 6 33.891 12.902 9.189 1.00 20.67 O ATOM 82 CB ASN A 6 34.531 14.057 6.616 1.00 20.67 C ATOM 83 1HB ASN A 6 33.912 13.174 6.477 1.00 20.67 H ATOM 84 2HB ASN A 6 34.483 14.657 5.709 1.00 20.67 H ATOM 85 CG ASN A 6 35.970 13.628 6.826 1.00 20.67 C ATOM 86 OD1 ASN A 6 36.719 14.234 7.580 1.00 20.67 O ATOM 87 ND2 ASN A 6 36.384 12.614 6.122 1.00 20.67 N ATOM 88 1HD2 ASN A 6 37.351 12.347 6.187 1.00 20.67 H ATOM 89 2HD2 ASN A 6 35.758 12.125 5.502 1.00 20.67 H ATOM 90 N GLY A 7 34.241 14.882 10.184 1.00 39.87 N ATOM 91 H GLY A 7 34.450 15.865 10.069 1.00 39.87 H ATOM 92 CA GLY A 7 33.950 14.420 11.529 1.00 39.87 C ATOM 93 1HA GLY A 7 33.728 13.354 11.539 1.00 39.87 H ATOM 94 2HA GLY A 7 34.763 14.653 12.210 1.00 39.87 H ATOM 95 C GLY A 7 32.720 15.217 11.903 1.00 39.87 C ATOM 96 O GLY A 7 32.527 16.266 11.291 1.00 39.87 O ATOM 97 N VAL A 8 31.895 14.720 12.820 1.00 47.47 N ATOM 98 H VAL A 8 32.175 13.852 13.277 1.00 47.47 H ATOM 99 CA VAL A 8 30.600 15.289 13.254 1.00 47.47 C ATOM 100 HA VAL A 8 30.218 14.620 14.026 1.00 47.47 H ATOM 101 C VAL A 8 29.522 15.314 12.157 1.00 47.47 C ATOM 102 O VAL A 8 28.361 15.034 12.410 1.00 47.47 O ATOM 103 CB VAL A 8 30.772 16.685 13.939 1.00 47.47 C ATOM 104 HB VAL A 8 31.079 17.404 13.185 1.00 47.47 H ATOM 105 CG1 VAL A 8 29.466 17.182 14.575 1.00 47.47 C ATOM 106 1HG1 VAL A 8 29.637 18.142 15.067 1.00 47.47 H ATOM 107 2HG1 VAL A 8 29.110 16.464 15.317 1.00 47.47 H ATOM 108 3HG1 VAL A 8 28.701 17.316 13.814 1.00 47.47 H ATOM 109 CG2 VAL A 8 31.860 16.619 15.029 1.00 47.47 C ATOM 110 1HG2 VAL A 8 31.929 17.582 15.543 1.00 47.47 H ATOM 111 2HG2 VAL A 8 32.826 16.415 14.580 1.00 47.47 H ATOM 112 3HG2 VAL A 8 31.621 15.846 15.761 1.00 47.47 H ATOM 113 N TYR A 9 29.912 15.553 10.915 1.00 22.05 N ATOM 114 H TYR A 9 30.860 15.895 10.770 1.00 22.05 H ATOM 115 CA TYR A 9 29.087 15.300 9.735 1.00 22.05 C ATOM 116 HA TYR A 9 28.064 15.635 9.903 1.00 22.05 H ATOM 117 C TYR A 9 29.081 13.808 9.403 1.00 22.05 C ATOM 118 O TYR A 9 28.257 13.341 8.627 1.00 22.05 O ATOM 119 CB TYR A 9 29.700 16.069 8.563 1.00 22.05 C ATOM 120 1HB TYR A 9 29.812 17.107 8.858 1.00 22.05 H ATOM 121 2HB TYR A 9 30.692 15.665 8.362 1.00 22.05 H ATOM 122 CG TYR A 9 28.888 16.019 7.286 1.00 22.05 C ATOM 123 CD1 TYR A 9 27.702 16.769 7.151 1.00 22.05 C ATOM 124 HD1 TYR A 9 27.349 17.375 7.970 1.00 22.05 H ATOM 125 CD2 TYR A 9 29.299 15.212 6.205 1.00 22.05 C ATOM 126 HD2 TYR A 9 30.185 14.597 6.296 1.00 22.05 H ATOM 127 CE1 TYR A 9 26.943 16.722 5.950 1.00 22.05 C ATOM 128 HE1 TYR A 9 26.031 17.295 5.859 1.00 22.05 H ATOM 129 CE2 TYR A 9 28.544 15.166 5.004 1.00 22.05 C ATOM 130 HE2 TYR A 9 28.857 14.532 4.186 1.00 22.05 H ATOM 131 CZ TYR A 9 27.373 15.918 4.889 1.00 22.05 C ATOM 132 OH TYR A 9 26.667 15.879 3.717 1.00 22.05 O ATOM 133 HH TYR A 9 25.824 16.335 3.766 1.00 22.05 H ATOM 134 N CYS A 10 30.041 13.108 9.999 1.00 55.27 N ATOM 135 H CYS A 10 30.606 13.578 10.677 1.00 55.27 H ATOM 136 CA CYS A 10 30.393 11.723 9.678 1.00 55.27 C ATOM 137 HA CYS A 10 31.206 11.428 10.339 1.00 55.27 H ATOM 138 C CYS A 10 30.925 11.649 8.244 1.00 55.27 C ATOM 139 O CYS A 10 31.178 12.678 7.608 1.00 55.27 O ATOM 140 CB CYS A 10 29.226 10.759 9.938 1.00 55.27 C ATOM 141 1HB CYS A 10 28.442 10.943 9.202 1.00 55.27 H ATOM 142 2HB CYS A 10 29.563 9.729 9.826 1.00 55.27 H ATOM 143 SG CYS A 10 28.516 10.977 11.602 1.00 55.27 S ATOM 144 N ASN A 11 31.191 10.443 7.763 1.00 40.16 N ATOM 145 H ASN A 11 30.997 9.630 8.332 1.00 40.16 H ATOM 146 CA ASN A 11 31.794 10.280 6.437 1.00 40.16 C ATOM 147 HA ASN A 11 31.559 11.157 5.837 1.00 40.16 H ATOM 148 C ASN A 11 31.306 9.054 5.671 1.00 40.16 C ATOM 149 O ASN A 11 31.454 8.967 4.459 1.00 40.16 O ATOM 150 CB ASN A 11 33.312 10.187 6.629 1.00 40.16 C ATOM 151 1HB ASN A 11 33.635 10.991 7.287 1.00 40.16 H ATOM 152 2HB ASN A 11 33.544 9.236 7.094 1.00 40.16 H ATOM 153 CG ASN A 11 34.095 10.272 5.339 1.00 40.16 C ATOM 154 OD1 ASN A 11 35.150 9.670 5.238 1.00 40.16 O ATOM 155 ND2 ASN A 11 33.662 11.066 4.397 1.00 40.16 N ATOM 156 1HD2 ASN A 11 34.181 11.117 3.536 1.00 40.16 H ATOM 157 2HD2 ASN A 11 32.792 11.559 4.505 1.00 40.16 H ATOM 158 N ASN A 12 30.750 8.087 6.382 1.00 33.18 N ATOM 159 H ASN A 12 30.570 8.210 7.370 1.00 33.18 H ATOM 160 CA ASN A 12 30.304 6.830 5.795 1.00 33.18 C ATOM 161 HA ASN A 12 29.774 7.005 4.857 1.00 33.18 H ATOM 162 C ASN A 12 29.349 6.349 6.883 1.00 33.18 C ATOM 163 O ASN A 12 28.927 7.167 7.690 1.00 33.18 O ATOM 164 CB ASN A 12 31.505 5.894 5.573 1.00 33.18 C ATOM 165 1HB ASN A 12 32.322 6.478 5.152 1.00 33.18 H ATOM 166 2HB ASN A 12 31.835 5.479 6.524 1.00 33.18 H ATOM 167 CG ASN A 12 31.201 4.774 4.611 1.00 33.18 C ATOM 168 OD1 ASN A 12 30.563 3.794 4.968 1.00 33.18 O ATOM 169 ND2 ASN A 12 31.636 4.911 3.392 1.00 33.18 N ATOM 170 1HD2 ASN A 12 31.466 4.173 2.731 1.00 33.18 H ATOM 171 2HD2 ASN A 12 32.127 5.747 3.119 1.00 33.18 H ATOM 172 N LYS A 13 29.113 5.049 7.004 1.00 -7.18 N ATOM 173 H LYS A 13 29.488 4.421 6.295 1.00 -7.18 H ATOM 174 CA LYS A 13 28.375 4.454 8.128 1.00 -7.18 C ATOM 175 HA LYS A 13 27.419 4.968 8.241 1.00 -7.18 H ATOM 176 C LYS A 13 29.113 4.563 9.466 1.00 -7.18 C ATOM 177 O LYS A 13 28.660 4.041 10.475 1.00 -7.18 O ATOM 178 CB LYS A 13 28.116 2.972 7.830 1.00 -7.18 C ATOM 179 1HB LYS A 13 29.074 2.463 7.725 1.00 -7.18 H ATOM 180 2HB LYS A 13 27.587 2.537 8.678 1.00 -7.18 H ATOM 181 CG LYS A 13 27.285 2.722 6.576 1.00 -7.18 C ATOM 182 1HG LYS A 13 26.342 3.262 6.661 1.00 -7.18 H ATOM 183 2HG LYS A 13 27.824 3.079 5.699 1.00 -7.18 H ATOM 184 CD LYS A 13 26.993 1.236 6.408 1.00 -7.18 C ATOM 185 1HD LYS A 13 27.937 0.691 6.363 1.00 -7.18 H ATOM 186 2HD LYS A 13 26.420 0.888 7.269 1.00 -7.18 H ATOM 187 CE LYS A 13 26.196 0.976 5.132 1.00 -7.18 C ATOM 188 1HE LYS A 13 25.270 1.555 5.171 1.00 -7.18 H ATOM 189 2HE LYS A 13 26.783 1.316 4.275 1.00 -7.18 H ATOM 190 NZ LYS A 13 25.866 -0.484 4.965 1.00 -7.18 N ATOM 191 1HZ LYS A 13 25.343 -0.623 4.111 1.00 -7.18 H ATOM 192 2HZ LYS A 13 25.310 -0.803 5.748 1.00 -7.18 H ATOM 193 3HZ LYS A 13 26.719 -1.027 4.922 1.00 -7.18 H ATOM 194 N LYS A 14 30.262 5.224 9.466 1.00 -2.01 N ATOM 195 H LYS A 14 30.565 5.658 8.612 1.00 -2.01 H ATOM 196 CA LYS A 14 31.045 5.488 10.671 1.00 -2.01 C ATOM 197 HA LYS A 14 30.490 5.152 11.549 1.00 -2.01 H ATOM 198 C LYS A 14 31.227 6.990 10.768 1.00 -2.01 C ATOM 199 O LYS A 14 31.255 7.705 9.752 1.00 -2.01 O ATOM 200 CB LYS A 14 32.406 4.788 10.636 1.00 -2.01 C ATOM 201 1HB LYS A 14 32.917 5.059 9.712 1.00 -2.01 H ATOM 202 2HB LYS A 14 33.002 5.140 11.479 1.00 -2.01 H ATOM 203 CG LYS A 14 32.303 3.273 10.717 1.00 -2.01 C ATOM 204 1HG LYS A 14 31.684 3.002 11.573 1.00 -2.01 H ATOM 205 2HG LYS A 14 31.836 2.897 9.807 1.00 -2.01 H ATOM 206 CD LYS A 14 33.675 2.634 10.869 1.00 -2.01 C ATOM 207 1HD LYS A 14 34.294 2.910 10.014 1.00 -2.01 H ATOM 208 2HD LYS A 14 34.141 3.002 11.784 1.00 -2.01 H ATOM 209 CE LYS A 14 33.550 1.114 10.944 1.00 -2.01 C ATOM 210 1HE LYS A 14 32.900 0.856 11.783 1.00 -2.01 H ATOM 211 2HE LYS A 14 33.082 0.753 10.025 1.00 -2.01 H ATOM 212 NZ LYS A 14 34.883 0.435 11.127 1.00 -2.01 N ATOM 213 1HZ LYS A 14 34.759 -0.569 11.133 1.00 -2.01 H ATOM 214 2HZ LYS A 14 35.295 0.721 12.005 1.00 -2.01 H ATOM 215 3HZ LYS A 14 35.505 0.687 10.371 1.00 -2.01 H ATOM 216 N CYS A 15 31.364 7.437 12.003 1.00 -2.47 N ATOM 217 H CYS A 15 31.383 6.780 12.766 1.00 -2.47 H ATOM 218 CA CYS A 15 31.525 8.842 12.339 1.00 -2.47 C ATOM 219 HA CYS A 15 31.515 9.452 11.440 1.00 -2.47 H ATOM 220 C CYS A 15 32.868 8.995 13.030 1.00 -2.47 C ATOM 221 O CYS A 15 33.459 8.018 13.475 1.00 -2.47 O ATOM 222 CB CYS A 15 30.398 9.288 13.274 1.00 -2.47 C ATOM 223 1HB CYS A 15 30.415 8.657 14.163 1.00 -2.47 H ATOM 224 2HB CYS A 15 30.570 10.319 13.584 1.00 -2.47 H ATOM 225 SG CYS A 15 28.748 9.178 12.513 1.00 -2.47 S ATOM 226 N TRP A 16 33.317 10.234 13.113 1.00 18.17 N ATOM 227 H TRP A 16 32.747 10.990 12.764 1.00 18.17 H ATOM 228 CA TRP A 16 34.569 10.621 13.747 1.00 18.17 C ATOM 229 HA TRP A 16 34.877 9.916 14.521 1.00 18.17 H ATOM 230 C TRP A 16 34.173 11.957 14.346 1.00 18.17 C ATOM 231 O TRP A 16 33.120 12.475 13.969 1.00 18.17 O ATOM 232 CB TRP A 16 35.668 10.816 12.701 1.00 18.17 C ATOM 233 1HB TRP A 16 35.260 11.388 11.868 1.00 18.17 H ATOM 234 2HB TRP A 16 36.481 11.389 13.148 1.00 18.17 H ATOM 235 CG TRP A 16 36.244 9.531 12.180 1.00 18.17 C ATOM 236 CD1 TRP A 16 37.351 8.894 12.645 1.00 18.17 C ATOM 237 HD1 TRP A 16 37.950 9.247 13.476 1.00 18.17 H ATOM 238 CD2 TRP A 16 35.761 8.713 11.094 1.00 18.17 C ATOM 239 NE1 TRP A 16 37.607 7.752 11.941 1.00 18.17 N ATOM 240 HE1 TRP A 16 38.378 7.126 12.134 1.00 18.17 H ATOM 241 CE2 TRP A 16 36.645 7.600 10.982 1.00 18.17 C ATOM 242 CE3 TRP A 16 34.664 8.797 10.211 1.00 18.17 C ATOM 243 HE3 TRP A 16 33.979 9.630 10.266 1.00 18.17 H ATOM 244 CZ2 TRP A 16 36.465 6.586 10.019 1.00 18.17 C ATOM 245 HZ2 TRP A 16 37.159 5.761 9.950 1.00 18.17 H ATOM 246 CZ3 TRP A 16 34.459 7.756 9.266 1.00 18.17 C ATOM 247 HZ3 TRP A 16 33.599 7.782 8.614 1.00 18.17 H ATOM 248 CH2 TRP A 16 35.372 6.668 9.175 1.00 18.17 C ATOM 249 HH2 TRP A 16 35.203 5.891 8.443 1.00 18.17 H ATOM 250 N VAL A 17 34.998 12.545 15.196 1.00-10.92 N ATOM 251 H VAL A 17 35.870 12.101 15.451 1.00-10.92 H ATOM 252 CA VAL A 17 34.749 13.871 15.762 1.00-10.92 C ATOM 253 HA VAL A 17 33.837 14.302 15.356 1.00-10.92 H ATOM 254 C VAL A 17 35.951 14.688 15.309 1.00-10.92 C ATOM 255 O VAL A 17 37.057 14.160 15.315 1.00-10.92 O ATOM 256 CB VAL A 17 34.642 13.804 17.314 1.00-10.92 C ATOM 257 HB VAL A 17 35.562 13.371 17.706 1.00-10.92 H ATOM 258 CG1 VAL A 17 34.457 15.194 17.934 1.00-10.92 C ATOM 259 1HG1 VAL A 17 34.357 15.104 19.017 1.00-10.92 H ATOM 260 2HG1 VAL A 17 33.567 15.683 17.536 1.00-10.92 H ATOM 261 3HG1 VAL A 17 35.331 15.816 17.732 1.00-10.92 H ATOM 262 CG2 VAL A 17 33.467 12.902 17.731 1.00-10.92 C ATOM 263 1HG2 VAL A 17 33.384 12.887 18.819 1.00-10.92 H ATOM 264 2HG2 VAL A 17 33.636 11.881 17.391 1.00-10.92 H ATOM 265 3HG2 VAL A 17 32.533 13.274 17.309 1.00-10.92 H ATOM 266 N ASN A 18 35.713 15.915 14.856 1.00-10.17 N ATOM 267 H ASN A 18 34.765 16.260 14.880 1.00-10.17 H ATOM 268 CA ASN A 18 36.742 16.882 14.433 1.00-10.17 C ATOM 269 HA ASN A 18 36.245 17.664 13.863 1.00-10.17 H ATOM 270 C ASN A 18 37.812 16.302 13.505 1.00-10.17 C ATOM 271 O ASN A 18 38.998 16.591 13.608 1.00-10.17 O ATOM 272 CB ASN A 18 37.357 17.582 15.657 1.00-10.17 C ATOM 273 1HB ASN A 18 37.751 16.838 16.348 1.00-10.17 H ATOM 274 2HB ASN A 18 38.182 18.212 15.330 1.00-10.17 H ATOM 275 CG ASN A 18 36.371 18.480 16.379 1.00-10.17 C ATOM 276 OD1 ASN A 18 35.167 18.236 16.388 1.00-10.17 O ATOM 277 ND2 ASN A 18 36.854 19.541 16.948 1.00-10.17 N ATOM 278 1HD2 ASN A 18 36.247 20.138 17.470 1.00-10.17 H ATOM 279 2HD2 ASN A 18 37.851 19.775 16.847 1.00-10.17 H ATOM 280 N ARG A 19 37.389 15.461 12.572 1.00 2.03 N ATOM 281 H ARG A 19 36.405 15.272 12.494 1.00 2.03 H ATOM 282 CA ARG A 19 38.333 14.762 11.700 1.00 2.03 C ATOM 283 HA ARG A 19 39.084 14.289 12.336 1.00 2.03 H ATOM 284 C ARG A 19 39.062 15.722 10.767 1.00 2.03 C ATOM 285 O ARG A 19 40.210 15.481 10.411 1.00 2.03 O ATOM 286 CB ARG A 19 37.608 13.672 10.912 1.00 2.03 C ATOM 287 1HB ARG A 19 36.916 13.176 11.586 1.00 2.03 H ATOM 288 2HB ARG A 19 37.033 14.140 10.117 1.00 2.03 H ATOM 289 CG ARG A 19 38.521 12.606 10.315 1.00 2.03 C ATOM 290 1HG ARG A 19 39.248 13.076 9.653 1.00 2.03 H ATOM 291 2HG ARG A 19 39.046 12.093 11.121 1.00 2.03 H ATOM 292 CD ARG A 19 37.708 11.599 9.522 1.00 2.03 C ATOM 293 1HD ARG A 19 36.911 11.209 10.150 1.00 2.03 H ATOM 294 2HD ARG A 19 37.258 12.112 8.677 1.00 2.03 H ATOM 295 NE ARG A 19 38.517 10.477 9.024 1.00 2.03 N ATOM 296 HE ARG A 19 39.462 10.416 9.367 1.00 2.03 H ATOM 297 CZ ARG A 19 38.113 9.552 8.162 1.00 2.03 C ATOM 298 NH1 ARG A 19 38.946 8.620 7.795 1.00 2.03 N ATOM 299 1HH1 ARG A 19 39.878 8.594 8.169 1.00 2.03 H ATOM 300 2HH1 ARG A 19 38.655 7.927 7.127 1.00 2.03 H ATOM 301 NH2 ARG A 19 36.920 9.547 7.631 1.00 2.03 N ATOM 302 1HH2 ARG A 19 36.240 10.218 7.939 1.00 2.03 H ATOM 303 2HH2 ARG A 19 36.674 8.891 6.904 1.00 2.03 H ATOM 304 N GLY A 20 38.422 16.831 10.421 1.00 -9.73 N ATOM 305 H GLY A 20 37.478 17.000 10.744 1.00 -9.73 H ATOM 306 CA GLY A 20 39.089 17.836 9.609 1.00 -9.73 C ATOM 307 1HA GLY A 20 39.472 17.370 8.700 1.00 -9.73 H ATOM 308 2HA GLY A 20 38.388 18.627 9.343 1.00 -9.73 H ATOM 309 C GLY A 20 40.249 18.438 10.374 1.00 -9.73 C ATOM 310 O GLY A 20 41.364 18.491 9.869 1.00 -9.73 O ATOM 311 N GLU A 21 40.014 18.797 11.627 1.00-16.86 N ATOM 312 H GLU A 21 39.097 18.679 12.021 1.00-16.86 H ATOM 313 CA GLU A 21 41.049 19.378 12.483 1.00-16.86 C ATOM 314 HA GLU A 21 41.466 20.264 12.002 1.00-16.86 H ATOM 315 C GLU A 21 42.170 18.370 12.717 1.00-16.86 C ATOM 316 O GLU A 21 43.351 18.714 12.692 1.00-16.86 O ATOM 317 CB GLU A 21 40.417 19.776 13.817 1.00-16.86 C ATOM 318 1HB GLU A 21 39.538 20.387 13.607 1.00-16.86 H ATOM 319 2HB GLU A 21 40.093 18.865 14.315 1.00-16.86 H ATOM 320 CG GLU A 21 41.327 20.544 14.765 1.00-16.86 C ATOM 321 1HG GLU A 21 42.225 19.954 14.952 1.00-16.86 H ATOM 322 2HG GLU A 21 41.617 21.483 14.291 1.00-16.86 H ATOM 323 CD GLU A 21 40.647 20.839 16.097 1.00-16.86 C ATOM 324 OE1 GLU A 21 39.491 20.395 16.300 1.00-16.86 O ATOM 325 OE2 GLU A 21 41.268 21.505 16.949 1.00-16.86 O ATOM 326 N ALA A 22 41.812 17.102 12.869 1.00 -3.37 N ATOM 327 H ALA A 22 40.826 16.867 12.928 1.00 -3.37 H ATOM 328 CA ALA A 22 42.813 16.051 12.993 1.00 -3.37 C ATOM 329 HA ALA A 22 43.447 16.290 13.848 1.00 -3.37 H ATOM 330 C ALA A 22 43.710 16.000 11.749 1.00 -3.37 C ATOM 331 O ALA A 22 44.927 15.961 11.865 1.00 -3.37 O ATOM 332 CB ALA A 22 42.137 14.697 13.249 1.00 -3.37 C ATOM 333 1HB ALA A 22 41.499 14.769 14.131 1.00 -3.37 H ATOM 334 2HB ALA A 22 42.904 13.942 13.423 1.00 -3.37 H ATOM 335 3HB ALA A 22 41.538 14.409 12.388 1.00 -3.37 H ATOM 336 N THR A 23 43.148 16.046 10.550 1.00 3.86 N ATOM 337 H THR A 23 42.136 16.080 10.455 1.00 3.86 H ATOM 338 CA THR A 23 44.004 16.023 9.362 1.00 3.86 C ATOM 339 HA THR A 23 44.721 15.211 9.482 1.00 3.86 H ATOM 340 C THR A 23 44.821 17.306 9.231 1.00 3.86 C ATOM 341 O THR A 23 45.985 17.258 8.848 1.00 3.86 O ATOM 342 CB THR A 23 43.223 15.770 8.050 1.00 3.86 C ATOM 343 HB THR A 23 43.915 15.831 7.210 1.00 3.86 H ATOM 344 OG1 THR A 23 42.181 16.734 7.875 1.00 3.86 O ATOM 345 HG1 THR A 23 41.993 17.171 8.716 1.00 3.86 H ATOM 346 CG2 THR A 23 42.573 14.394 8.045 1.00 3.86 C ATOM 347 1HG2 THR A 23 42.057 14.255 7.096 1.00 3.86 H ATOM 348 2HG2 THR A 23 41.854 14.311 8.856 1.00 3.86 H ATOM 349 3HG2 THR A 23 43.338 13.625 8.151 1.00 3.86 H ATOM 350 N GLN A 24 44.264 18.449 9.604 1.00-17.64 N ATOM 351 H GLN A 24 43.304 18.460 9.941 1.00-17.64 H ATOM 352 CA GLN A 24 44.998 19.711 9.522 1.00-17.64 C ATOM 353 HA GLN A 24 45.419 19.814 8.522 1.00-17.64 H ATOM 354 C GLN A 24 46.154 19.742 10.517 1.00-17.64 C ATOM 355 O GLN A 24 47.231 20.245 10.205 1.00-17.64 O ATOM 356 CB GLN A 24 44.051 20.882 9.792 1.00-17.64 C ATOM 357 1HB GLN A 24 43.525 20.688 10.727 1.00-17.64 H ATOM 358 2HB GLN A 24 44.637 21.793 9.910 1.00-17.64 H ATOM 359 CG GLN A 24 43.028 21.111 8.681 1.00-17.64 C ATOM 360 1HG GLN A 24 43.546 21.480 7.796 1.00-17.64 H ATOM 361 2HG GLN A 24 42.546 20.173 8.424 1.00-17.64 H ATOM 362 CD GLN A 24 41.953 22.099 9.080 1.00-17.64 C ATOM 363 OE1 GLN A 24 41.203 21.881 10.013 1.00-17.64 O ATOM 364 NE2 GLN A 24 41.860 23.191 8.366 1.00-17.64 N ATOM 365 1HE2 GLN A 24 41.151 23.858 8.620 1.00-17.64 H ATOM 366 2HE2 GLN A 24 42.473 23.346 7.587 1.00-17.64 H ATOM 367 N SER A 25 45.965 19.185 11.703 1.00 -9.40 N ATOM 368 H SER A 25 45.053 18.806 11.949 1.00 -9.40 H ATOM 369 CA SER A 25 47.041 19.134 12.688 1.00 -9.40 C ATOM 370 HA SER A 25 47.536 20.105 12.707 1.00 -9.40 H ATOM 371 C SER A 25 48.098 18.098 12.312 1.00 -9.40 C ATOM 372 O SER A 25 49.273 18.312 12.587 1.00 -9.40 O ATOM 373 CB SER A 25 46.481 18.870 14.086 1.00 -9.40 C ATOM 374 1HB SER A 25 47.306 18.785 14.795 1.00 -9.40 H ATOM 375 2HB SER A 25 45.849 19.710 14.377 1.00 -9.40 H ATOM 376 OG SER A 25 45.699 17.692 14.117 1.00 -9.40 O ATOM 377 HG SER A 25 44.814 17.908 13.792 1.00 -9.40 H ATOM 378 N ILE A 26 47.730 17.026 11.623 1.00-23.44 N ATOM 379 H ILE A 26 46.741 16.835 11.476 1.00-23.44 H ATOM 380 CA ILE A 26 48.727 16.088 11.089 1.00-23.44 C ATOM 381 HA ILE A 26 49.414 15.813 11.888 1.00-23.44 H ATOM 382 C ILE A 26 49.549 16.789 10.005 1.00-23.44 C ATOM 383 O ILE A 26 50.772 16.671 9.986 1.00-23.44 O ATOM 384 CB ILE A 26 48.066 14.782 10.539 1.00-23.44 C ATOM 385 HB ILE A 26 47.259 15.063 9.862 1.00-23.44 H ATOM 386 CG1 ILE A 26 47.486 13.964 11.711 1.00-23.44 C ATOM 387 1HG1 ILE A 26 48.311 13.493 12.245 1.00-23.44 H ATOM 388 2HG1 ILE A 26 46.996 14.639 12.408 1.00-23.44 H ATOM 389 CG2 ILE A 26 49.082 13.902 9.757 1.00-23.44 C ATOM 390 1HG2 ILE A 26 48.606 12.984 9.414 1.00-23.44 H ATOM 391 2HG2 ILE A 26 49.933 13.650 10.393 1.00-23.44 H ATOM 392 3HG2 ILE A 26 49.444 14.437 8.878 1.00-23.44 H ATOM 393 CD1 ILE A 26 46.468 12.879 11.321 1.00-23.44 C ATOM 394 1HD1 ILE A 26 46.072 12.418 12.226 1.00-23.44 H ATOM 395 2HD1 ILE A 26 46.945 12.111 10.712 1.00-23.44 H ATOM 396 3HD1 ILE A 26 45.645 13.329 10.765 1.00-23.44 H ATOM 397 N ILE A 27 48.915 17.564 9.136 1.00 -6.62 N ATOM 398 H ILE A 27 47.899 17.620 9.160 1.00 -6.62 H ATOM 399 CA ILE A 27 49.648 18.333 8.123 1.00 -6.62 C ATOM 400 HA ILE A 27 50.285 17.654 7.556 1.00 -6.62 H ATOM 401 C ILE A 27 50.563 19.348 8.818 1.00 -6.62 C ATOM 402 O ILE A 27 51.733 19.474 8.460 1.00 -6.62 O ATOM 403 CB ILE A 27 48.669 19.030 7.127 1.00 -6.62 C ATOM 404 HB ILE A 27 47.938 19.598 7.702 1.00 -6.62 H ATOM 405 CG1 ILE A 27 47.934 17.962 6.290 1.00 -6.62 C ATOM 406 1HG1 ILE A 27 48.627 17.565 5.549 1.00 -6.62 H ATOM 407 2HG1 ILE A 27 47.645 17.136 6.936 1.00 -6.62 H ATOM 408 CG2 ILE A 27 49.411 20.003 6.175 1.00 -6.62 C ATOM 409 1HG2 ILE A 27 48.713 20.451 5.469 1.00 -6.62 H ATOM 410 2HG2 ILE A 27 50.191 19.474 5.624 1.00 -6.62 H ATOM 411 3HG2 ILE A 27 49.866 20.808 6.751 1.00 -6.62 H ATOM 412 CD1 ILE A 27 46.665 18.447 5.570 1.00 -6.62 C ATOM 413 1HD1 ILE A 27 46.192 17.602 5.069 1.00 -6.62 H ATOM 414 2HD1 ILE A 27 46.915 19.203 4.826 1.00 -6.62 H ATOM 415 3HD1 ILE A 27 45.965 18.863 6.295 1.00 -6.62 H ATOM 416 N GLY A 28 50.084 20.022 9.853 1.00 -1.91 N ATOM 417 H GLY A 28 49.108 19.913 10.122 1.00 -1.91 H ATOM 418 CA GLY A 28 50.937 20.934 10.604 1.00 -1.91 C ATOM 419 1HA GLY A 28 51.320 21.695 9.925 1.00 -1.91 H ATOM 420 2HA GLY A 28 50.344 21.419 11.378 1.00 -1.91 H ATOM 421 C GLY A 28 52.119 20.238 11.257 1.00 -1.91 C ATOM 422 O GLY A 28 53.241 20.750 11.241 1.00 -1.91 O ATOM 423 N GLY A 29 51.898 19.042 11.782 1.00 -8.17 N ATOM 424 H GLY A 29 50.953 18.660 11.788 1.00 -8.17 H ATOM 425 CA GLY A 29 52.966 18.248 12.366 1.00 -8.17 C ATOM 426 1HA GLY A 29 53.476 18.830 13.133 1.00 -8.17 H ATOM 427 2HA GLY A 29 52.535 17.357 12.822 1.00 -8.17 H ATOM 428 C GLY A 29 53.978 17.821 11.323 1.00 -8.17 C ATOM 429 O GLY A 29 55.176 17.851 11.563 1.00 -8.17 O ATOM 430 N MET A 30 53.516 17.470 10.133 1.00-13.25 N ATOM 431 H MET A 30 52.510 17.451 9.973 1.00-13.25 H ATOM 432 CA MET A 30 54.411 17.090 9.043 1.00-13.25 C ATOM 433 HA MET A 30 55.080 16.304 9.392 1.00-13.25 H ATOM 434 C MET A 30 55.266 18.274 8.595 1.00-13.25 C ATOM 435 O MET A 30 56.472 18.135 8.408 1.00-13.25 O ATOM 436 CB MET A 30 53.578 16.572 7.868 1.00-13.25 C ATOM 437 1HB MET A 30 52.963 15.742 8.215 1.00-13.25 H ATOM 438 2HB MET A 30 52.916 17.371 7.547 1.00-13.25 H ATOM 439 CG MET A 30 54.387 16.109 6.665 1.00-13.25 C ATOM 440 1HG MET A 30 55.019 16.925 6.317 1.00-13.25 H ATOM 441 2HG MET A 30 55.021 15.273 6.963 1.00-13.25 H ATOM 442 SD MET A 30 53.311 15.588 5.309 1.00-13.25 S ATOM 443 CE MET A 30 52.671 17.174 4.685 1.00-13.25 C ATOM 444 1HE MET A 30 52.032 16.990 3.821 1.00-13.25 H ATOM 445 2HE MET A 30 53.502 17.814 4.388 1.00-13.25 H ATOM 446 3HE MET A 30 52.090 17.671 5.462 1.00-13.25 H ATOM 447 N ILE A 31 54.668 19.448 8.449 1.00-20.14 N ATOM 448 H ILE A 31 53.665 19.528 8.613 1.00-20.14 H ATOM 449 CA ILE A 31 55.417 20.625 8.004 1.00-20.14 C ATOM 450 HA ILE A 31 55.999 20.354 7.123 1.00-20.14 H ATOM 451 C ILE A 31 56.406 21.049 9.088 1.00-20.14 C ATOM 452 O ILE A 31 57.552 21.366 8.789 1.00-20.14 O ATOM 453 CB ILE A 31 54.468 21.803 7.616 1.00-20.14 C ATOM 454 HB ILE A 31 53.816 22.017 8.464 1.00-20.14 H ATOM 455 CG1 ILE A 31 53.605 21.393 6.403 1.00-20.14 C ATOM 456 1HG1 ILE A 31 54.250 21.326 5.528 1.00-20.14 H ATOM 457 2HG1 ILE A 31 53.187 20.405 6.577 1.00-20.14 H ATOM 458 CG2 ILE A 31 55.273 23.091 7.268 1.00-20.14 C ATOM 459 1HG2 ILE A 31 54.597 23.904 7.005 1.00-20.14 H ATOM 460 2HG2 ILE A 31 55.948 22.900 6.431 1.00-20.14 H ATOM 461 3HG2 ILE A 31 55.860 23.413 8.128 1.00-20.14 H ATOM 462 CD1 ILE A 31 52.436 22.335 6.076 1.00-20.14 C ATOM 463 1HD1 ILE A 31 51.844 21.903 5.269 1.00-20.14 H ATOM 464 2HD1 ILE A 31 52.808 23.308 5.753 1.00-20.14 H ATOM 465 3HD1 ILE A 31 51.803 22.458 6.955 1.00-20.14 H ATOM 466 N SER A 32 56.016 21.023 10.354 1.00-19.21 N ATOM 467 H SER A 32 55.068 20.743 10.594 1.00-19.21 H ATOM 468 CA SER A 32 56.945 21.411 11.417 1.00-19.21 C ATOM 469 HA SER A 32 57.450 22.328 11.115 1.00-19.21 H ATOM 470 C SER A 32 58.031 20.358 11.641 1.00-19.21 C ATOM 471 O SER A 32 59.169 20.697 11.973 1.00-19.21 O ATOM 472 CB SER A 32 56.189 21.694 12.715 1.00-19.21 C ATOM 473 1HB SER A 32 56.905 21.919 13.506 1.00-19.21 H ATOM 474 2HB SER A 32 55.541 22.558 12.564 1.00-19.21 H ATOM 475 OG SER A 32 55.387 20.591 13.090 1.00-19.21 O ATOM 476 HG SER A 32 54.568 20.618 12.574 1.00-19.21 H ATOM 477 N GLY A 33 57.721 19.093 11.394 1.00 -7.29 N ATOM 478 H GLY A 33 56.760 18.833 11.185 1.00 -7.29 H ATOM 479 CA GLY A 33 58.730 18.049 11.446 1.00 -7.29 C ATOM 480 1HA GLY A 33 59.265 18.114 12.394 1.00 -7.29 H ATOM 481 2HA GLY A 33 58.252 17.073 11.373 1.00 -7.29 H ATOM 482 C GLY A 33 59.726 18.200 10.315 1.00 -7.29 C ATOM 483 O GLY A 33 60.924 18.073 10.524 1.00 -7.29 O ATOM 484 N TRP A 34 59.257 18.545 9.126 1.00-14.22 N ATOM 485 H TRP A 34 58.253 18.603 8.972 1.00-14.22 H ATOM 486 CA TRP A 34 60.158 18.834 8.015 1.00-14.22 C ATOM 487 HA TRP A 34 60.835 17.992 7.867 1.00-14.22 H ATOM 488 C TRP A 34 61.010 20.064 8.318 1.00-14.22 C ATOM 489 O TRP A 34 62.218 20.038 8.125 1.00-14.22 O ATOM 490 CB TRP A 34 59.357 19.059 6.731 1.00-14.22 C ATOM 491 1HB TRP A 34 58.983 18.100 6.373 1.00-14.22 H ATOM 492 2HB TRP A 34 58.505 19.700 6.950 1.00-14.22 H ATOM 493 CG TRP A 34 60.172 19.715 5.660 1.00-14.22 C ATOM 494 CD1 TRP A 34 61.139 19.146 4.893 1.00-14.22 C ATOM 495 HD1 TRP A 34 61.432 18.106 4.959 1.00-14.22 H ATOM 496 CD2 TRP A 34 60.135 21.100 5.268 1.00-14.22 C ATOM 497 NE1 TRP A 34 61.712 20.060 4.052 1.00-14.22 N ATOM 498 HE1 TRP A 34 62.473 19.856 3.421 1.00-14.22 H ATOM 499 CE2 TRP A 34 61.113 21.275 4.248 1.00-14.22 C ATOM 500 CE3 TRP A 34 59.385 22.218 5.689 1.00-14.22 C ATOM 501 HE3 TRP A 34 58.644 22.116 6.468 1.00-14.22 H ATOM 502 CZ2 TRP A 34 61.350 22.524 3.637 1.00-14.22 C ATOM 503 HZ2 TRP A 34 62.098 22.630 2.866 1.00-14.22 H ATOM 504 CZ3 TRP A 34 59.627 23.479 5.086 1.00-14.22 C ATOM 505 HZ3 TRP A 34 59.064 24.344 5.406 1.00-14.22 H ATOM 506 CH2 TRP A 34 60.607 23.613 4.059 1.00-14.22 C ATOM 507 HH2 TRP A 34 60.774 24.580 3.606 1.00-14.22 H ATOM 508 N ALA A 35 60.399 21.125 8.825 1.00 -6.74 N ATOM 509 H ALA A 35 59.396 21.097 8.978 1.00 -6.74 H ATOM 510 CA ALA A 35 61.122 22.363 9.096 1.00 -6.74 C ATOM 511 HA ALA A 35 61.614 22.674 8.174 1.00 -6.74 H ATOM 512 C ALA A 35 62.207 22.183 10.160 1.00 -6.74 C ATOM 513 O ALA A 35 63.292 22.741 10.046 1.00 -6.74 O ATOM 514 CB ALA A 35 60.132 23.457 9.512 1.00 -6.74 C ATOM 515 1HB ALA A 35 59.391 23.598 8.725 1.00 -6.74 H ATOM 516 2HB ALA A 35 60.672 24.392 9.667 1.00 -6.74 H ATOM 517 3HB ALA A 35 59.630 23.173 10.437 1.00 -6.74 H ATOM 518 N SER A 36 61.936 21.392 11.187 1.00-15.55 N ATOM 519 H SER A 36 61.016 20.972 11.273 1.00-15.55 H ATOM 520 CA SER A 36 62.952 21.107 12.201 1.00-15.55 C ATOM 521 HA SER A 36 63.487 22.028 12.436 1.00-15.55 H ATOM 522 C SER A 36 63.979 20.105 11.673 1.00-15.55 C ATOM 523 O SER A 36 65.143 20.125 12.071 1.00-15.55 O ATOM 524 CB SER A 36 62.294 20.596 13.483 1.00-15.55 C ATOM 525 1HB SER A 36 63.068 20.325 14.202 1.00-15.55 H ATOM 526 2HB SER A 36 61.682 21.393 13.905 1.00-15.55 H ATOM 527 OG SER A 36 61.460 19.481 13.229 1.00-15.55 O ATOM 528 HG SER A 36 60.622 19.799 12.864 1.00-15.55 H ATOM 529 N GLY A 37 63.572 19.281 10.719 1.00 -5.61 N ATOM 530 H GLY A 37 62.598 19.277 10.436 1.00 -5.61 H ATOM 531 CA GLY A 37 64.474 18.350 10.061 1.00 -5.61 C ATOM 532 1HA GLY A 37 65.008 17.780 10.821 1.00 -5.61 H ATOM 533 2HA GLY A 37 63.889 17.661 9.454 1.00 -5.61 H ATOM 534 C GLY A 37 65.495 19.027 9.171 1.00 -5.61 C ATOM 535 O GLY A 37 66.531 18.438 8.886 1.00 -5.61 O ATOM 536 N LEU A 38 65.274 20.285 8.809 1.00-20.34 N ATOM 537 H LEU A 38 64.406 20.729 9.081 1.00-20.34 H ATOM 538 CA LEU A 38 66.238 21.063 8.022 1.00-20.34 C ATOM 539 HA LEU A 38 66.498 20.491 7.134 1.00-20.34 H ATOM 540 C LEU A 38 67.544 21.331 8.766 1.00-20.34 C ATOM 541 O LEU A 38 68.519 21.774 8.176 1.00-20.34 O ATOM 542 CB LEU A 38 65.637 22.401 7.579 1.00-20.34 C ATOM 543 1HB LEU A 38 65.350 22.949 8.475 1.00-20.34 H ATOM 544 2HB LEU A 38 66.427 22.972 7.091 1.00-20.34 H ATOM 545 CG LEU A 38 64.437 22.377 6.619 1.00-20.34 C ATOM 546 HG LEU A 38 63.652 21.770 7.053 1.00-20.34 H ATOM 547 CD1 LEU A 38 63.889 23.790 6.437 1.00-20.34 C ATOM 548 1HD1 LEU A 38 63.001 23.757 5.807 1.00-20.34 H ATOM 549 2HD1 LEU A 38 64.642 24.430 5.976 1.00-20.34 H ATOM 550 3HD1 LEU A 38 63.611 24.199 7.410 1.00-20.34 H ATOM 551 CD2 LEU A 38 64.810 21.789 5.258 1.00-20.34 C ATOM 552 1HD2 LEU A 38 63.970 21.878 4.575 1.00-20.34 H ATOM 553 2HD2 LEU A 38 65.050 20.732 5.373 1.00-20.34 H ATOM 554 3HD2 LEU A 38 65.675 22.309 4.843 1.00-20.34 H ATOM 555 N ALA A 39 67.601 20.986 10.046 1.00 -6.91 N ATOM 556 H ALA A 39 66.764 20.655 10.508 1.00 -6.91 H ATOM 557 CA ALA A 39 68.858 20.982 10.789 1.00 -6.91 C ATOM 558 HA ALA A 39 69.350 21.946 10.648 1.00 -6.91 H ATOM 559 C ALA A 39 69.822 19.886 10.289 1.00 -6.91 C ATOM 560 O ALA A 39 70.982 19.850 10.698 1.00 -6.91 O ATOM 561 CB ALA A 39 68.558 20.794 12.282 1.00 -6.91 C ATOM 562 1HB ALA A 39 67.904 21.594 12.630 1.00 -6.91 H ATOM 563 2HB ALA A 39 69.492 20.819 12.845 1.00 -6.91 H ATOM 564 3HB ALA A 39 68.067 19.832 12.442 1.00 -6.91 H ATOM 565 N GLY A 40 69.336 18.987 9.441 1.00 -6.46 N ATOM 566 H GLY A 40 68.360 19.034 9.162 1.00 -6.46 H ATOM 567 CA GLY A 40 70.145 17.917 8.879 1.00 -6.46 C ATOM 568 1HA GLY A 40 71.188 18.231 8.851 1.00 -6.46 H ATOM 569 2HA GLY A 40 70.062 17.040 9.518 1.00 -6.46 H ATOM 570 C GLY A 40 69.734 17.523 7.471 1.00 -6.46 C ATOM 571 O GLY A 40 69.707 16.331 7.158 1.00 -6.46 O ATOM 572 N MET A 41 69.397 18.500 6.636 1.00-22.27 N ATOM 573 H MET A 41 69.483 19.469 6.924 1.00-22.27 H ATOM 574 CA MET A 41 68.998 18.279 5.240 1.00-22.27 C ATOM 575 HA MET A 41 69.282 17.281 4.913 1.00-22.27 H ATOM 576 C MET A 41 69.755 19.299 4.409 1.00-22.27 C ATOM 577 O MET A 41 69.765 19.190 3.166 1.00-22.27 O ATOM 578 OXT MET A 41 70.319 20.213 5.043 1.00-22.27 O ATOM 579 CB MET A 41 67.494 18.483 5.032 1.00-22.27 C ATOM 580 1HB MET A 41 67.219 19.456 5.431 1.00-22.27 H ATOM 581 2HB MET A 41 67.304 18.491 3.960 1.00-22.27 H ATOM 582 CG MET A 41 66.618 17.410 5.664 1.00-22.27 C ATOM 583 1HG MET A 41 66.884 16.444 5.236 1.00-22.27 H ATOM 584 2HG MET A 41 66.820 17.376 6.731 1.00-22.27 H ATOM 585 SD MET A 41 64.841 17.698 5.412 1.00-22.27 S ATOM 586 CE MET A 41 64.641 17.331 3.660 1.00-22.27 C ATOM 587 1HE MET A 41 63.589 17.402 3.390 1.00-22.27 H ATOM 588 2HE MET A 41 65.001 16.322 3.457 1.00-22.27 H ATOM 589 3HE MET A 41 65.218 18.044 3.069 1.00-22.27 H TER 590 MET A 41 CONECT 143 140 225 CONECT 225 143 222 END
SEQUENCE	ARSYGNGVYCNNKKCWVNRGEATQSIIGGMISGWASGLAGM
HELICITY	63.40	INSTAB. INDEX	27.63	FLEXIBILITY	17.45
a HYD. MOM.	69.43	b HYD. MOM.	11.99	c HYD. MOM	2.94
a MEAN HYD. MOM.	1.69	b MEAN HYD. MOM.	0.29	c MEAN HYD. MOM.	0.07
CHARGE pH5	3.15	CHARGE pH7	2.91	CHARGE pH9	0.94
Δ CHARGE pH5-pH9	2.21	ISOELECTRIC POINT	9.31	BOMAN INDEX	1.02
ΔG	18	CPP	-0,60	MLP	-12,27
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	Lactobacillaceae	GENUS	Lactobacillus	SPECIES	Lactobacillus sake Lb706
DATE	1992
TITLE PAPER	Purification and amino acid sequence of sakacin A, a bacteriocin from Lactobacillus sake Lb706