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ID	2357	NAME	BNBD-7   Blast NCBI-PROT
LENGTH	40	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\EGVRNFVTCRINRGFCVPIRCPGHRRQIGTCLGPRIKCCR.pdb REMARK YASARA Written on: Wed May 14 18:44:55 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 642 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA REMARK 2 RESOLUTION. 1.70 ANGSTROMS. REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 39.97500 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 COMPND MOL_ID: 1; COMPND 2 MOLECULE: BETA-DEFENSIN 2; COMPND 3 CHAIN: A; COMPND 4 MOL_ID: 2; COMPND 5 MOLECULE: `NOTE:` This template has been downloaded from PDB_REDO (www.cmbi.ru.nl/pdb_redo), since re-refinement improved the structure quality Z-score by 0.519.; SEQRES 1 A 40 GLU GLY VAL ARG ASN PHE VAL THR CYS ARG ILE ASN ARG SEQRES 2 A 40 GLY PHE CYS VAL PRO ILE ARG CYS PRO GLY HIS ARG ARG SEQRES 3 A 40 GLN ILE GLY THR CYS LEU GLY PRO ARG ILE LYS CYS CYS SEQRES 4 A 40 ARG CRYST1 54.525 79.950 74.271 90.00 105.30 90.00 P 1 21 1 32 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 0.018340 0.000000 0.005017 0.00000 SCALE2 0.000000 0.012508 0.000000 0.00000 SCALE3 0.000000 0.000000 0.013959 0.00000 SSBOND 1 CYS A 9 CYS A 38 2.03 SSBOND 3 CYS A 16 CYS A 31 2.03 SSBOND 5 CYS A 21 CYS A 39 2.03 ATOM 1 N GLU A 1 -28.118 -9.221 61.811 1.00-18.00 N ATOM 2 1H GLU A 1 -29.006 -8.991 62.234 1.00-18.00 H ATOM 3 2H GLU A 1 -28.280 -9.794 60.993 1.00-18.00 H ATOM 4 3H GLU A 1 -27.644 -8.370 61.542 1.00-18.00 H ATOM 5 CA GLU A 1 -27.283 -9.974 62.791 1.00-18.00 C ATOM 6 HA GLU A 1 -27.149 -9.365 63.685 1.00-18.00 H ATOM 7 C GLU A 1 -25.898 -10.266 62.228 1.00-18.00 C ATOM 8 O GLU A 1 -24.941 -10.281 62.979 1.00-18.00 O ATOM 9 CB GLU A 1 -27.980 -11.273 63.194 1.00-18.00 C ATOM 10 1HB GLU A 1 -28.205 -11.836 62.290 1.00-18.00 H ATOM 11 2HB GLU A 1 -27.303 -11.859 63.814 1.00-18.00 H ATOM 12 CG GLU A 1 -29.271 -11.028 63.961 1.00-18.00 C ATOM 13 1HG GLU A 1 -29.035 -10.540 64.906 1.00-18.00 H ATOM 14 2HG GLU A 1 -29.909 -10.363 63.377 1.00-18.00 H ATOM 15 CD GLU A 1 -30.040 -12.306 64.227 1.00-18.00 C ATOM 16 OE1 GLU A 1 -29.428 -13.367 64.454 1.00-18.00 O ATOM 17 OE2 GLU A 1 -31.285 -12.263 64.162 1.00-18.00 O ATOM 18 N GLY A 2 -25.756 -10.462 60.922 1.00 -3.53 N ATOM 19 H GLY A 2 -26.556 -10.494 60.295 1.00 -3.53 H ATOM 20 CA GLY A 2 -24.436 -10.689 60.354 1.00 -3.53 C ATOM 21 1HA GLY A 2 -24.421 -10.317 59.329 1.00 -3.53 H ATOM 22 2HA GLY A 2 -23.684 -10.148 60.928 1.00 -3.53 H ATOM 23 C GLY A 2 -24.071 -12.158 60.325 1.00 -3.53 C ATOM 24 O GLY A 2 -22.893 -12.512 60.354 1.00 -3.53 O ATOM 25 N VAL A 3 -25.100 -12.993 60.250 1.00 13.86 N ATOM 26 H VAL A 3 -26.033 -12.612 60.249 1.00 13.86 H ATOM 27 CA VAL A 3 -24.970 -14.442 60.087 1.00 13.86 C ATOM 28 HA VAL A 3 -24.344 -14.856 60.877 1.00 13.86 H ATOM 29 C VAL A 3 -24.325 -14.697 58.725 1.00 13.86 C ATOM 30 O VAL A 3 -24.637 -13.990 57.768 1.00 13.86 O ATOM 31 CB VAL A 3 -26.377 -15.099 60.134 1.00 13.86 C ATOM 32 HB VAL A 3 -27.008 -14.629 59.385 1.00 13.86 H ATOM 33 CG1 VAL A 3 -26.312 -16.579 59.827 1.00 13.86 C ATOM 34 1HG1 VAL A 3 -27.313 -16.989 59.887 1.00 13.86 H ATOM 35 2HG1 VAL A 3 -25.680 -17.091 60.546 1.00 13.86 H ATOM 36 3HG1 VAL A 3 -25.949 -16.750 58.814 1.00 13.86 H ATOM 37 CG2 VAL A 3 -27.026 -14.886 61.507 1.00 13.86 C ATOM 38 1HG2 VAL A 3 -27.998 -15.380 61.538 1.00 13.86 H ATOM 39 2HG2 VAL A 3 -27.180 -13.827 61.698 1.00 13.86 H ATOM 40 3HG2 VAL A 3 -26.396 -15.304 62.295 1.00 13.86 H ATOM 41 N ARG A 4 -23.404 -15.654 58.638 1.00 -2.92 N ATOM 42 H ARG A 4 -23.192 -16.206 59.453 1.00 -2.92 H ATOM 43 CA ARG A 4 -22.631 -15.866 57.403 1.00 -2.92 C ATOM 44 HA ARG A 4 -23.013 -15.179 56.645 1.00 -2.92 H ATOM 45 C ARG A 4 -22.671 -17.243 56.760 1.00 -2.92 C ATOM 46 O ARG A 4 -22.237 -17.372 55.630 1.00 -2.92 O ATOM 47 CB ARG A 4 -21.164 -15.484 57.652 1.00 -2.92 C ATOM 48 1HB ARG A 4 -20.697 -16.244 58.278 1.00 -2.92 H ATOM 49 2HB ARG A 4 -20.639 -15.440 56.697 1.00 -2.92 H ATOM 50 CG ARG A 4 -21.055 -14.145 58.355 1.00 -2.92 C ATOM 51 1HG ARG A 4 -21.682 -13.423 57.832 1.00 -2.92 H ATOM 52 2HG ARG A 4 -21.441 -14.274 59.363 1.00 -2.92 H ATOM 53 CD ARG A 4 -19.687 -13.547 58.513 1.00 -2.92 C ATOM 54 1HD ARG A 4 -19.005 -14.283 58.941 1.00 -2.92 H ATOM 55 2HD ARG A 4 -19.316 -13.200 57.547 1.00 -2.92 H ATOM 56 NE ARG A 4 -19.861 -12.422 59.444 1.00 -2.92 N ATOM 57 HE ARG A 4 -20.795 -12.315 59.829 1.00 -2.92 H ATOM 58 CZ ARG A 4 -18.939 -11.555 59.835 1.00 -2.92 C ATOM 59 NH1 ARG A 4 -19.273 -10.656 60.718 1.00 -2.92 N ATOM 60 1HH1 ARG A 4 -20.207 -10.646 61.093 1.00 -2.92 H ATOM 61 2HH1 ARG A 4 -18.600 -9.978 61.031 1.00 -2.92 H ATOM 62 NH2 ARG A 4 -17.708 -11.554 59.389 1.00 -2.92 N ATOM 63 1HH2 ARG A 4 -17.432 -12.233 58.701 1.00 -2.92 H ATOM 64 2HH2 ARG A 4 -17.048 -10.877 59.727 1.00 -2.92 H ATOM 65 N ASN A 5 -23.122 -18.276 57.462 1.00 10.15 N ATOM 66 H ASN A 5 -23.519 -18.134 58.374 1.00 10.15 H ATOM 67 CA ASN A 5 -23.102 -19.639 56.920 1.00 10.15 C ATOM 68 HA ASN A 5 -23.241 -19.573 55.847 1.00 10.15 H ATOM 69 C ASN A 5 -24.250 -20.481 57.484 1.00 10.15 C ATOM 70 O ASN A 5 -24.909 -20.068 58.442 1.00 10.15 O ATOM 71 CB ASN A 5 -21.736 -20.304 57.157 1.00 10.15 C ATOM 72 1HB ASN A 5 -21.690 -21.248 56.617 1.00 10.15 H ATOM 73 2HB ASN A 5 -20.960 -19.650 56.763 1.00 10.15 H ATOM 74 CG ASN A 5 -21.452 -20.572 58.605 1.00 10.15 C ATOM 75 OD1 ASN A 5 -22.129 -21.363 59.239 1.00 10.15 O ATOM 76 ND2 ASN A 5 -20.447 -19.940 59.137 1.00 10.15 N ATOM 77 1HD2 ASN A 5 -20.268 -20.069 60.120 1.00 10.15 H ATOM 78 2HD2 ASN A 5 -19.871 -19.335 58.579 1.00 10.15 H ATOM 79 N PHE A 6 -24.477 -21.660 56.913 1.00 7.03 N ATOM 80 H PHE A 6 -23.900 -21.952 56.135 1.00 7.03 H ATOM 81 CA PHE A 6 -25.588 -22.536 57.309 1.00 7.03 C ATOM 82 HA PHE A 6 -26.526 -22.015 57.117 1.00 7.03 H ATOM 83 C PHE A 6 -25.585 -22.965 58.774 1.00 7.03 C ATOM 84 O PHE A 6 -26.639 -23.238 59.351 1.00 7.03 O ATOM 85 CB PHE A 6 -25.558 -23.850 56.514 1.00 7.03 C ATOM 86 1HB PHE A 6 -24.620 -24.365 56.720 1.00 7.03 H ATOM 87 2HB PHE A 6 -26.375 -24.481 56.865 1.00 7.03 H ATOM 88 CG PHE A 6 -25.700 -23.693 55.024 1.00 7.03 C ATOM 89 CD1 PHE A 6 -24.572 -23.772 54.184 1.00 7.03 C ATOM 90 HD1 PHE A 6 -23.589 -23.918 54.608 1.00 7.03 H ATOM 91 CD2 PHE A 6 -26.972 -23.536 54.444 1.00 7.03 C ATOM 92 HD2 PHE A 6 -27.851 -23.509 55.071 1.00 7.03 H ATOM 93 CE1 PHE A 6 -24.708 -23.672 52.774 1.00 7.03 C ATOM 94 HE1 PHE A 6 -23.835 -23.730 52.140 1.00 7.03 H ATOM 95 CE2 PHE A 6 -27.124 -23.426 53.040 1.00 7.03 C ATOM 96 HE2 PHE A 6 -28.106 -23.306 52.607 1.00 7.03 H ATOM 97 CZ PHE A 6 -25.988 -23.488 52.204 1.00 7.03 C ATOM 98 HZ PHE A 6 -26.098 -23.406 51.132 1.00 7.03 H ATOM 99 N VAL A 7 -24.416 -23.096 59.381 1.00-14.53 N ATOM 100 H VAL A 7 -23.558 -22.822 58.914 1.00-14.53 H ATOM 101 CA VAL A 7 -24.333 -23.585 60.755 1.00-14.53 C ATOM 102 HA VAL A 7 -25.068 -24.373 60.901 1.00-14.53 H ATOM 103 C VAL A 7 -24.689 -22.418 61.663 1.00-14.53 C ATOM 104 O VAL A 7 -25.534 -22.557 62.536 1.00-14.53 O ATOM 105 CB VAL A 7 -22.920 -24.145 61.087 1.00-14.53 C ATOM 106 HB VAL A 7 -22.192 -23.341 61.000 1.00-14.53 H ATOM 107 CG1 VAL A 7 -22.863 -24.702 62.511 1.00-14.53 C ATOM 108 1HG1 VAL A 7 -21.863 -25.090 62.718 1.00-14.53 H ATOM 109 2HG1 VAL A 7 -23.590 -25.505 62.641 1.00-14.53 H ATOM 110 3HG1 VAL A 7 -23.075 -23.912 63.229 1.00-14.53 H ATOM 111 CG2 VAL A 7 -22.532 -25.252 60.091 1.00-14.53 C ATOM 112 1HG2 VAL A 7 -21.544 -25.640 60.350 1.00-14.53 H ATOM 113 2HG2 VAL A 7 -22.477 -24.855 59.078 1.00-14.53 H ATOM 114 3HG2 VAL A 7 -23.249 -26.071 60.130 1.00-14.53 H ATOM 115 N THR A 8 -24.114 -21.251 61.407 1.00 -7.36 N ATOM 116 H THR A 8 -23.429 -21.178 60.658 1.00 -7.36 H ATOM 117 CA THR A 8 -24.407 -20.057 62.199 1.00 -7.36 C ATOM 118 HA THR A 8 -24.161 -20.258 63.241 1.00 -7.36 H ATOM 119 C THR A 8 -25.885 -19.703 62.118 1.00 -7.36 C ATOM 120 O THR A 8 -26.492 -19.342 63.112 1.00 -7.36 O ATOM 121 CB THR A 8 -23.565 -18.860 61.709 1.00 -7.36 C ATOM 122 HB THR A 8 -23.906 -18.561 60.718 1.00 -7.36 H ATOM 123 OG1 THR A 8 -22.196 -19.260 61.622 1.00 -7.36 O ATOM 124 HG1 THR A 8 -21.871 -19.396 62.517 1.00 -7.36 H ATOM 125 CG2 THR A 8 -23.622 -17.672 62.654 1.00 -7.36 C ATOM 126 1HG2 THR A 8 -22.963 -16.884 62.295 1.00 -7.36 H ATOM 127 2HG2 THR A 8 -23.307 -17.972 63.656 1.00 -7.36 H ATOM 128 3HG2 THR A 8 -24.641 -17.287 62.717 1.00 -7.36 H ATOM 129 N CYS A 9 -26.500 -19.882 60.957 1.00 -2.69 N ATOM 130 H CYS A 9 -25.975 -20.196 60.148 1.00 -2.69 H ATOM 131 CA CYS A 9 -27.928 -19.603 60.826 1.00 -2.69 C ATOM 132 HA CYS A 9 -28.105 -18.565 61.101 1.00 -2.69 H ATOM 133 C CYS A 9 -28.752 -20.465 61.776 1.00 -2.69 C ATOM 134 O CYS A 9 -29.640 -19.967 62.452 1.00 -2.69 O ATOM 135 CB CYS A 9 -28.367 -19.811 59.375 1.00 -2.69 C ATOM 136 1HB CYS A 9 -27.672 -19.284 58.721 1.00 -2.69 H ATOM 137 2HB CYS A 9 -28.316 -20.874 59.142 1.00 -2.69 H ATOM 138 SG CYS A 9 -30.052 -19.219 59.004 1.00 -2.69 S ATOM 139 N ARG A 10 -28.409 -21.739 61.895 1.00 15.52 N ATOM 140 H ARG A 10 -27.635 -22.099 61.354 1.00 15.52 H ATOM 141 CA ARG A 10 -29.117 -22.635 62.811 1.00 15.52 C ATOM 142 HA ARG A 10 -30.189 -22.448 62.720 1.00 15.52 H ATOM 143 C ARG A 10 -28.769 -22.408 64.281 1.00 15.52 C ATOM 144 O ARG A 10 -29.630 -22.589 65.132 1.00 15.52 O ATOM 145 CB ARG A 10 -28.852 -24.083 62.405 1.00 15.52 C ATOM 146 1HB ARG A 10 -27.778 -24.222 62.283 1.00 15.52 H ATOM 147 2HB ARG A 10 -29.203 -24.744 63.198 1.00 15.52 H ATOM 148 CG ARG A 10 -29.581 -24.453 61.111 1.00 15.52 C ATOM 149 1HG ARG A 10 -30.654 -24.431 61.304 1.00 15.52 H ATOM 150 2HG ARG A 10 -29.352 -23.725 60.333 1.00 15.52 H ATOM 151 CD ARG A 10 -29.198 -25.834 60.607 1.00 15.52 C ATOM 152 1HD ARG A 10 -29.256 -26.546 61.432 1.00 15.52 H ATOM 153 2HD ARG A 10 -29.904 -26.130 59.830 1.00 15.52 H ATOM 154 NE ARG A 10 -27.842 -25.830 60.036 1.00 15.52 N ATOM 155 HE ARG A 10 -27.394 -24.920 59.964 1.00 15.52 H ATOM 156 CZ ARG A 10 -27.171 -26.880 59.585 1.00 15.52 C ATOM 157 NH1 ARG A 10 -25.978 -26.691 59.093 1.00 15.52 N ATOM 158 1HH1 ARG A 10 -25.590 -25.763 59.077 1.00 15.52 H ATOM 159 2HH1 ARG A 10 -25.451 -27.468 58.734 1.00 15.52 H ATOM 160 NH2 ARG A 10 -27.638 -28.103 59.601 1.00 15.52 N ATOM 161 1HH2 ARG A 10 -28.557 -28.275 59.973 1.00 15.52 H ATOM 162 2HH2 ARG A 10 -27.085 -28.867 59.251 1.00 15.52 H ATOM 163 N ILE A 11 -27.564 -21.948 64.586 1.00-18.97 N ATOM 164 H ILE A 11 -26.868 -21.847 63.855 1.00-18.97 H ATOM 165 CA ILE A 11 -27.209 -21.566 65.962 1.00-18.97 C ATOM 166 HA ILE A 11 -27.452 -22.387 66.636 1.00-18.97 H ATOM 167 C ILE A 11 -28.056 -20.360 66.366 1.00-18.97 C ATOM 168 O ILE A 11 -28.628 -20.322 67.458 1.00-18.97 O ATOM 169 CB ILE A 11 -25.687 -21.227 66.103 1.00-18.97 C ATOM 170 HB ILE A 11 -25.428 -20.484 65.350 1.00-18.97 H ATOM 171 CG1 ILE A 11 -24.844 -22.498 65.869 1.00-18.97 C ATOM 172 1HG1 ILE A 11 -24.989 -23.166 66.718 1.00-18.97 H ATOM 173 2HG1 ILE A 11 -25.210 -23.011 64.985 1.00-18.97 H ATOM 174 CG2 ILE A 11 -25.362 -20.637 67.504 1.00-18.97 C ATOM 175 1HG2 ILE A 11 -24.302 -20.402 67.582 1.00-18.97 H ATOM 176 2HG2 ILE A 11 -25.633 -21.345 68.289 1.00-18.97 H ATOM 177 3HG2 ILE A 11 -25.912 -19.706 67.656 1.00-18.97 H ATOM 178 CD1 ILE A 11 -23.332 -22.268 65.684 1.00-18.97 C ATOM 179 1HD1 ILE A 11 -22.846 -23.223 65.484 1.00-18.97 H ATOM 180 2HD1 ILE A 11 -22.898 -21.842 66.588 1.00-18.97 H ATOM 181 3HD1 ILE A 11 -23.158 -21.596 64.845 1.00-18.97 H ATOM 182 N ASN A 12 -28.200 -19.407 65.455 1.00 0.44 N ATOM 183 H ASN A 12 -27.709 -19.487 64.567 1.00 0.44 H ATOM 184 CA ASN A 12 -29.006 -18.208 65.694 1.00 0.44 C ATOM 185 HA ASN A 12 -28.842 -17.870 66.718 1.00 0.44 H ATOM 186 C ASN A 12 -30.499 -18.500 65.541 1.00 0.44 C ATOM 187 O ASN A 12 -31.329 -17.639 65.822 1.00 0.44 O ATOM 188 CB ASN A 12 -28.599 -17.082 64.727 1.00 0.44 C ATOM 189 1HB ASN A 12 -28.572 -17.467 63.708 1.00 0.44 H ATOM 190 2HB ASN A 12 -29.344 -16.292 64.777 1.00 0.44 H ATOM 191 CG ASN A 12 -27.260 -16.461 65.067 1.00 0.44 C ATOM 192 OD1 ASN A 12 -26.254 -17.129 65.239 1.00 0.44 O ATOM 193 ND2 ASN A 12 -27.240 -15.161 65.175 1.00 0.44 N ATOM 194 1HD2 ASN A 12 -26.382 -14.719 65.445 1.00 0.44 H ATOM 195 2HD2 ASN A 12 -28.082 -14.611 64.995 1.00 0.44 H ATOM 196 N ARG A 13 -30.837 -19.710 65.112 1.00 4.29 N ATOM 197 H ARG A 13 -30.090 -20.354 64.890 1.00 4.29 H ATOM 198 CA ARG A 13 -32.217 -20.192 64.931 1.00 4.29 C ATOM 199 HA ARG A 13 -32.151 -21.192 64.502 1.00 4.29 H ATOM 200 C ARG A 13 -32.987 -19.343 63.926 1.00 4.29 C ATOM 201 O ARG A 13 -34.183 -19.083 64.063 1.00 4.29 O ATOM 202 CB ARG A 13 -32.933 -20.332 66.282 1.00 4.29 C ATOM 203 1HB ARG A 13 -33.114 -19.342 66.700 1.00 4.29 H ATOM 204 2HB ARG A 13 -33.891 -20.831 66.132 1.00 4.29 H ATOM 205 CG ARG A 13 -32.091 -21.133 67.267 1.00 4.29 C ATOM 206 1HG ARG A 13 -31.853 -22.103 66.831 1.00 4.29 H ATOM 207 2HG ARG A 13 -31.163 -20.597 67.444 1.00 4.29 H ATOM 208 CD ARG A 13 -32.728 -21.348 68.613 1.00 4.29 C ATOM 209 1HD ARG A 13 -33.093 -20.395 68.999 1.00 4.29 H ATOM 210 2HD ARG A 13 -33.552 -22.057 68.522 1.00 4.29 H ATOM 211 NE ARG A 13 -31.682 -21.872 69.504 1.00 4.29 N ATOM 212 HE ARG A 13 -30.759 -21.937 69.096 1.00 4.29 H ATOM 213 CZ ARG A 13 -31.822 -22.238 70.768 1.00 4.29 C ATOM 214 NH1 ARG A 13 -30.765 -22.640 71.416 1.00 4.29 N ATOM 215 1HH1 ARG A 13 -29.869 -22.654 70.955 1.00 4.29 H ATOM 216 2HH1 ARG A 13 -30.838 -22.928 72.376 1.00 4.29 H ATOM 217 NH2 ARG A 13 -32.964 -22.215 71.408 1.00 4.29 N ATOM 218 1HH2 ARG A 13 -33.793 -21.910 70.925 1.00 4.29 H ATOM 219 2HH2 ARG A 13 -33.014 -22.496 72.371 1.00 4.29 H ATOM 220 N GLY A 14 -32.259 -18.929 62.903 1.00 -6.03 N ATOM 221 H GLY A 14 -31.275 -19.177 62.871 1.00 -6.03 H ATOM 222 CA GLY A 14 -32.834 -18.289 61.736 1.00 -6.03 C ATOM 223 1HA GLY A 14 -33.791 -17.830 61.978 1.00 -6.03 H ATOM 224 2HA GLY A 14 -32.150 -17.544 61.338 1.00 -6.03 H ATOM 225 C GLY A 14 -33.029 -19.394 60.718 1.00 -6.03 C ATOM 226 O GLY A 14 -32.692 -20.549 60.981 1.00 -6.03 O ATOM 227 N PHE A 15 -33.583 -19.064 59.563 1.00-21.30 N ATOM 228 H PHE A 15 -33.827 -18.093 59.381 1.00-21.30 H ATOM 229 CA PHE A 15 -33.920 -20.060 58.551 1.00-21.30 C ATOM 230 HA PHE A 15 -33.607 -21.050 58.881 1.00-21.30 H ATOM 231 C PHE A 15 -33.219 -19.744 57.239 1.00-21.30 C ATOM 232 O PHE A 15 -33.338 -18.630 56.726 1.00-21.30 O ATOM 233 CB PHE A 15 -35.439 -20.063 58.349 1.00-21.30 C ATOM 234 1HB PHE A 15 -35.757 -19.055 58.083 1.00-21.30 H ATOM 235 2HB PHE A 15 -35.680 -20.730 57.521 1.00-21.30 H ATOM 236 CG PHE A 15 -36.210 -20.515 59.568 1.00-21.30 C ATOM 237 CD1 PHE A 15 -36.392 -19.658 60.673 1.00-21.30 C ATOM 238 HD1 PHE A 15 -35.988 -18.656 60.649 1.00-21.30 H ATOM 239 CD2 PHE A 15 -36.748 -21.812 59.619 1.00-21.30 C ATOM 240 HD2 PHE A 15 -36.614 -22.486 58.784 1.00-21.30 H ATOM 241 CE1 PHE A 15 -37.078 -20.097 61.831 1.00-21.30 C ATOM 242 HE1 PHE A 15 -37.176 -19.444 62.687 1.00-21.30 H ATOM 243 CE2 PHE A 15 -37.460 -22.259 60.762 1.00-21.30 C ATOM 244 HE2 PHE A 15 -37.870 -23.258 60.789 1.00-21.30 H ATOM 245 CZ PHE A 15 -37.619 -21.399 61.872 1.00-21.30 C ATOM 246 HZ PHE A 15 -38.143 -21.742 62.753 1.00-21.30 H ATOM 247 N CYS A 16 -32.503 -20.718 56.696 1.00-21.60 N ATOM 248 H CYS A 16 -32.422 -21.605 57.164 1.00-21.60 H ATOM 249 CA CYS A 16 -31.872 -20.555 55.389 1.00-21.60 C ATOM 250 HA CYS A 16 -31.445 -19.562 55.329 1.00-21.60 H ATOM 251 C CYS A 16 -32.938 -20.706 54.309 1.00-21.60 C ATOM 252 O CYS A 16 -33.654 -21.704 54.281 1.00-21.60 O ATOM 253 CB CYS A 16 -30.762 -21.583 55.159 1.00-21.60 C ATOM 254 1HB CYS A 16 -31.174 -22.582 55.304 1.00-21.60 H ATOM 255 2HB CYS A 16 -30.431 -21.502 54.126 1.00-21.60 H ATOM 256 SG CYS A 16 -29.314 -21.360 56.241 1.00-21.60 S ATOM 257 N VAL A 17 -33.050 -19.711 53.442 1.00 12.49 N ATOM 258 H VAL A 17 -32.425 -18.910 53.530 1.00 12.49 H ATOM 259 CA VAL A 17 -34.052 -19.678 52.374 1.00 12.49 C ATOM 260 HA VAL A 17 -34.442 -20.683 52.219 1.00 12.49 H ATOM 261 C VAL A 17 -33.350 -19.230 51.087 1.00 12.49 C ATOM 262 O VAL A 17 -32.311 -18.571 51.146 1.00 12.49 O ATOM 263 CB VAL A 17 -35.234 -18.739 52.753 1.00 12.49 C ATOM 264 HB VAL A 17 -35.909 -18.666 51.901 1.00 12.49 H ATOM 265 CG1 VAL A 17 -36.030 -19.309 53.942 1.00 12.49 C ATOM 266 1HG1 VAL A 17 -36.920 -18.708 54.114 1.00 12.49 H ATOM 267 2HG1 VAL A 17 -35.415 -19.308 54.845 1.00 12.49 H ATOM 268 3HG1 VAL A 17 -36.332 -20.335 53.724 1.00 12.49 H ATOM 269 CG2 VAL A 17 -34.736 -17.345 53.107 1.00 12.49 C ATOM 270 1HG2 VAL A 17 -35.579 -16.723 53.375 1.00 12.49 H ATOM 271 2HG2 VAL A 17 -34.235 -16.898 52.248 1.00 12.49 H ATOM 272 3HG2 VAL A 17 -34.049 -17.378 53.955 1.00 12.49 H ATOM 273 N PRO A 18 -33.835 -19.664 49.911 1.00 18.38 N ATOM 274 CA PRO A 18 -32.823 -19.754 48.848 1.00 18.38 C ATOM 275 HA PRO A 18 -31.919 -20.193 49.263 1.00 18.38 H ATOM 276 C PRO A 18 -32.410 -18.507 48.063 1.00 18.38 C ATOM 277 O PRO A 18 -31.382 -18.545 47.393 1.00 18.38 O ATOM 278 CB PRO A 18 -33.455 -20.765 47.889 1.00 18.38 C ATOM 279 1HB PRO A 18 -33.108 -20.608 46.868 1.00 18.38 H ATOM 280 2HB PRO A 18 -33.234 -21.782 48.213 1.00 18.38 H ATOM 281 CG PRO A 18 -34.910 -20.506 48.012 1.00 18.38 C ATOM 282 1HG PRO A 18 -35.183 -19.605 47.460 1.00 18.38 H ATOM 283 2HG PRO A 18 -35.489 -21.360 47.659 1.00 18.38 H ATOM 284 CD PRO A 18 -35.098 -20.305 49.495 1.00 18.38 C ATOM 285 1HD PRO A 18 -35.952 -19.655 49.690 1.00 18.38 H ATOM 286 2HD PRO A 18 -35.218 -21.266 49.998 1.00 18.38 H ATOM 287 N ILE A 19 -33.211 -17.447 48.058 1.00 25.66 N ATOM 288 H ILE A 19 -34.049 -17.469 48.614 1.00 25.66 H ATOM 289 CA ILE A 19 -32.902 -16.259 47.238 1.00 25.66 C ATOM 290 HA ILE A 19 -31.833 -16.250 47.028 1.00 25.66 H ATOM 291 C ILE A 19 -33.257 -14.960 47.963 1.00 25.66 C ATOM 292 O ILE A 19 -32.516 -13.978 47.944 1.00 25.66 O ATOM 293 CB ILE A 19 -33.679 -16.248 45.861 1.00 25.66 C ATOM 294 HB ILE A 19 -34.737 -16.076 46.061 1.00 25.66 H ATOM 295 CG1 ILE A 19 -33.552 -17.592 45.111 1.00 25.66 C ATOM 296 1HG1 ILE A 19 -32.506 -17.736 44.842 1.00 25.66 H ATOM 297 2HG1 ILE A 19 -33.841 -18.398 45.779 1.00 25.66 H ATOM 298 CG2 ILE A 19 -33.146 -15.109 44.939 1.00 25.66 C ATOM 299 1HG2 ILE A 19 -33.754 -15.029 44.038 1.00 25.66 H ATOM 300 2HG2 ILE A 19 -32.109 -15.306 44.659 1.00 25.66 H ATOM 301 3HG2 ILE A 19 -33.186 -14.150 45.452 1.00 25.66 H ATOM 302 CD1 ILE A 19 -34.409 -17.744 43.843 1.00 25.66 C ATOM 303 1HD1 ILE A 19 -34.341 -18.770 43.483 1.00 25.66 H ATOM 304 2HD1 ILE A 19 -34.055 -17.074 43.060 1.00 25.66 H ATOM 305 3HD1 ILE A 19 -35.452 -17.519 44.070 1.00 25.66 H ATOM 306 N ARG A 20 -34.429 -14.944 48.582 1.00 -1.88 N ATOM 307 H ARG A 20 -34.989 -15.783 48.631 1.00 -1.88 H ATOM 308 CA ARG A 20 -34.984 -13.765 49.245 1.00 -1.88 C ATOM 309 HA ARG A 20 -34.200 -13.071 49.548 1.00 -1.88 H ATOM 310 C ARG A 20 -35.672 -14.357 50.452 1.00 -1.88 C ATOM 311 O ARG A 20 -35.947 -15.556 50.444 1.00 -1.88 O ATOM 312 CB ARG A 20 -36.035 -13.072 48.364 1.00 -1.88 C ATOM 313 1HB ARG A 20 -36.771 -13.819 48.064 1.00 -1.88 H ATOM 314 2HB ARG A 20 -36.545 -12.318 48.964 1.00 -1.88 H ATOM 315 CG ARG A 20 -35.484 -12.399 47.108 1.00 -1.88 C ATOM 316 1HG ARG A 20 -34.824 -11.581 47.397 1.00 -1.88 H ATOM 317 2HG ARG A 20 -34.911 -13.127 46.540 1.00 -1.88 H ATOM 318 CD ARG A 20 -36.595 -11.864 46.208 1.00 -1.88 C ATOM 319 1HD ARG A 20 -36.146 -11.519 45.275 1.00 -1.88 H ATOM 320 2HD ARG A 20 -37.283 -12.680 45.982 1.00 -1.88 H ATOM 321 NE ARG A 20 -37.347 -10.753 46.815 1.00 -1.88 N ATOM 322 HE ARG A 20 -37.048 -10.457 47.729 1.00 -1.88 H ATOM 323 CZ ARG A 20 -38.375 -10.110 46.272 1.00 -1.88 C ATOM 324 NH1 ARG A 20 -38.928 -9.133 46.937 1.00 -1.88 N ATOM 325 1HH1 ARG A 20 -38.583 -8.877 47.846 1.00 -1.88 H ATOM 326 2HH1 ARG A 20 -39.702 -8.629 46.539 1.00 -1.88 H ATOM 327 NH2 ARG A 20 -38.869 -10.398 45.094 1.00 -1.88 N ATOM 328 1HH2 ARG A 20 -38.458 -11.139 44.551 1.00 -1.88 H ATOM 329 2HH2 ARG A 20 -39.650 -9.882 44.729 1.00 -1.88 H ATOM 330 N CYS A 21 -35.980 -13.536 51.440 1.00 -2.73 N ATOM 331 H CYS A 21 -35.712 -12.569 51.404 1.00 -2.73 H ATOM 332 CA CYS A 21 -36.784 -13.990 52.565 1.00 -2.73 C ATOM 333 HA CYS A 21 -36.383 -14.928 52.926 1.00 -2.73 H ATOM 334 C CYS A 21 -38.229 -14.183 52.104 1.00 -2.73 C ATOM 335 O CYS A 21 -38.669 -13.503 51.169 1.00 -2.73 O ATOM 336 CB CYS A 21 -36.746 -12.957 53.692 1.00 -2.73 C ATOM 337 1HB CYS A 21 -37.207 -12.034 53.339 1.00 -2.73 H ATOM 338 2HB CYS A 21 -37.342 -13.328 54.522 1.00 -2.73 H ATOM 339 SG CYS A 21 -35.073 -12.576 54.299 1.00 -2.73 S ATOM 340 N PRO A 22 -38.991 -15.066 52.773 1.00 11.40 N ATOM 341 CA PRO A 22 -40.448 -14.982 52.607 1.00 11.40 C ATOM 342 HA PRO A 22 -40.730 -15.164 51.571 1.00 11.40 H ATOM 343 C PRO A 22 -41.000 -13.642 53.085 1.00 11.40 C ATOM 344 O PRO A 22 -40.321 -12.890 53.791 1.00 11.40 O ATOM 345 CB PRO A 22 -40.966 -16.103 53.518 1.00 11.40 C ATOM 346 1HB PRO A 22 -41.240 -15.693 54.489 1.00 11.40 H ATOM 347 2HB PRO A 22 -41.817 -16.611 53.064 1.00 11.40 H ATOM 348 CG PRO A 22 -39.817 -17.030 53.665 1.00 11.40 C ATOM 349 1HG PRO A 22 -39.913 -17.634 54.568 1.00 11.40 H ATOM 350 2HG PRO A 22 -39.735 -17.665 52.782 1.00 11.40 H ATOM 351 CD PRO A 22 -38.640 -16.111 53.752 1.00 11.40 C ATOM 352 1HD PRO A 22 -38.547 -15.685 54.750 1.00 11.40 H ATOM 353 2HD PRO A 22 -37.732 -16.634 53.460 1.00 11.40 H ATOM 354 N GLY A 23 -42.248 -13.362 52.732 1.00 7.57 N ATOM 355 H GLY A 23 -42.773 -14.010 52.170 1.00 7.57 H ATOM 356 CA GLY A 23 -42.893 -12.149 53.205 1.00 7.57 C ATOM 357 1HA GLY A 23 -42.319 -11.289 52.863 1.00 7.57 H ATOM 358 2HA GLY A 23 -43.906 -12.086 52.808 1.00 7.57 H ATOM 359 C GLY A 23 -42.949 -12.132 54.720 1.00 7.57 C ATOM 360 O GLY A 23 -43.035 -13.182 55.355 1.00 7.57 O ATOM 361 N HIS A 24 -42.858 -10.930 55.277 1.00-19.58 N ATOM 362 H HIS A 24 -42.810 -10.125 54.673 1.00-19.58 H ATOM 363 CA HIS A 24 -42.808 -10.682 56.724 1.00-19.58 C ATOM 364 HA HIS A 24 -42.665 -9.610 56.853 1.00-19.58 H ATOM 365 C HIS A 24 -41.653 -11.363 57.458 1.00-19.58 C ATOM 366 O HIS A 24 -41.724 -11.567 58.673 1.00-19.58 O ATOM 367 CB HIS A 24 -44.146 -11.022 57.393 1.00-19.58 C ATOM 368 1HB HIS A 24 -44.274 -12.104 57.409 1.00-19.58 H ATOM 369 2HB HIS A 24 -44.127 -10.661 58.421 1.00-19.58 H ATOM 370 CG HIS A 24 -45.324 -10.409 56.705 1.00-19.58 C ATOM 371 ND1 HIS A 24 -45.493 -9.044 56.600 1.00-19.58 N ATOM 372 CD2 HIS A 24 -46.382 -10.996 56.079 1.00-19.58 C ATOM 373 HD2 HIS A 24 -46.518 -12.065 55.994 1.00-19.58 H ATOM 374 CE1 HIS A 24 -46.669 -8.868 55.926 1.00-19.58 C ATOM 375 HE1 HIS A 24 -47.092 -7.899 55.697 1.00-19.58 H ATOM 376 NE2 HIS A 24 -47.245 -10.049 55.588 1.00-19.58 N ATOM 377 HE2 HIS A 24 -48.114 -10.192 55.094 1.00-19.58 H ATOM 378 N ARG A 25 -40.568 -11.668 56.752 1.00 22.54 N ATOM 379 H ARG A 25 -40.565 -11.534 55.746 1.00 22.54 H ATOM 380 CA ARG A 25 -39.334 -12.163 57.371 1.00 22.54 C ATOM 381 HA ARG A 25 -39.421 -12.089 58.450 1.00 22.54 H ATOM 382 C ARG A 25 -38.199 -11.254 56.926 1.00 22.54 C ATOM 383 O ARG A 25 -38.274 -10.647 55.862 1.00 22.54 O ATOM 384 CB ARG A 25 -39.079 -13.631 57.021 1.00 22.54 C ATOM 385 1HB ARG A 25 -38.866 -13.717 55.959 1.00 22.54 H ATOM 386 2HB ARG A 25 -38.207 -13.968 57.582 1.00 22.54 H ATOM 387 CG ARG A 25 -40.274 -14.526 57.346 1.00 22.54 C ATOM 388 1HG ARG A 25 -40.750 -14.169 58.260 1.00 22.54 H ATOM 389 2HG ARG A 25 -40.994 -14.456 56.531 1.00 22.54 H ATOM 390 CD ARG A 25 -39.896 -15.980 57.553 1.00 22.54 C ATOM 391 1HD ARG A 25 -40.800 -16.586 57.487 1.00 22.54 H ATOM 392 2HD ARG A 25 -39.192 -16.293 56.784 1.00 22.54 H ATOM 393 NE ARG A 25 -39.304 -16.149 58.885 1.00 22.54 N ATOM 394 HE ARG A 25 -39.176 -15.306 59.446 1.00 22.54 H ATOM 395 CZ ARG A 25 -38.931 -17.280 59.461 1.00 22.54 C ATOM 396 NH1 ARG A 25 -38.503 -17.209 60.685 1.00 22.54 N ATOM 397 1HH1 ARG A 25 -38.460 -16.291 61.127 1.00 22.54 H ATOM 398 2HH1 ARG A 25 -38.215 -18.035 61.177 1.00 22.54 H ATOM 399 NH2 ARG A 25 -38.980 -18.454 58.883 1.00 22.54 N ATOM 400 1HH2 ARG A 25 -39.327 -18.527 57.945 1.00 22.54 H ATOM 401 2HH2 ARG A 25 -38.664 -19.272 59.378 1.00 22.54 H ATOM 402 N ARG A 26 -37.191 -11.095 57.771 1.00-17.53 N ATOM 403 H ARG A 26 -37.165 -11.669 58.619 1.00-17.53 H ATOM 404 CA ARG A 26 -36.134 -10.094 57.586 1.00-17.53 C ATOM 405 HA ARG A 26 -36.380 -9.448 56.744 1.00-17.53 H ATOM 406 C ARG A 26 -34.814 -10.792 57.330 1.00-17.53 C ATOM 407 O ARG A 26 -34.557 -11.821 57.944 1.00-17.53 O ATOM 408 CB ARG A 26 -35.994 -9.260 58.868 1.00-17.53 C ATOM 409 1HB ARG A 26 -35.618 -9.916 59.654 1.00-17.53 H ATOM 410 2HB ARG A 26 -35.253 -8.478 58.703 1.00-17.53 H ATOM 411 CG ARG A 26 -37.295 -8.622 59.361 1.00-17.53 C ATOM 412 1HG ARG A 26 -37.199 -7.536 59.338 1.00-17.53 H ATOM 413 2HG ARG A 26 -38.116 -8.904 58.704 1.00-17.53 H ATOM 414 CD ARG A 26 -37.626 -9.071 60.787 1.00-17.53 C ATOM 415 1HD ARG A 26 -37.348 -10.117 60.909 1.00-17.53 H ATOM 416 2HD ARG A 26 -37.047 -8.475 61.494 1.00-17.53 H ATOM 417 NE ARG A 26 -39.064 -8.919 61.062 1.00-17.53 N ATOM 418 HE ARG A 26 -39.374 -8.001 61.329 1.00-17.53 H ATOM 419 CZ ARG A 26 -39.985 -9.869 60.947 1.00-17.53 C ATOM 420 NH1 ARG A 26 -41.242 -9.533 60.992 1.00-17.53 N ATOM 421 1HH1 ARG A 26 -41.518 -8.586 61.164 1.00-17.53 H ATOM 422 2HH1 ARG A 26 -41.940 -10.241 60.816 1.00-17.53 H ATOM 423 NH2 ARG A 26 -39.721 -11.136 60.776 1.00-17.53 N ATOM 424 1HH2 ARG A 26 -38.762 -11.479 60.770 1.00-17.53 H ATOM 425 2HH2 ARG A 26 -40.475 -11.784 60.604 1.00-17.53 H ATOM 426 N GLN A 27 -33.973 -10.236 56.471 1.00 -9.58 N ATOM 427 H GLN A 27 -34.228 -9.378 56.012 1.00 -9.58 H ATOM 428 CA GLN A 27 -32.658 -10.817 56.194 1.00 -9.58 C ATOM 429 HA GLN A 27 -32.751 -11.896 56.066 1.00 -9.58 H ATOM 430 C GLN A 27 -31.752 -10.531 57.385 1.00 -9.58 C ATOM 431 O GLN A 27 -31.397 -9.380 57.629 1.00 -9.58 O ATOM 432 CB GLN A 27 -32.056 -10.192 54.926 1.00 -9.58 C ATOM 433 1HB GLN A 27 -32.747 -10.340 54.096 1.00 -9.58 H ATOM 434 2HB GLN A 27 -31.959 -9.119 55.094 1.00 -9.58 H ATOM 435 CG GLN A 27 -30.683 -10.741 54.524 1.00 -9.58 C ATOM 436 1HG GLN A 27 -30.030 -10.739 55.395 1.00 -9.58 H ATOM 437 2HG GLN A 27 -30.791 -11.767 54.174 1.00 -9.58 H ATOM 438 CD GLN A 27 -30.015 -9.905 53.447 1.00 -9.58 C ATOM 439 OE1 GLN A 27 -29.996 -10.255 52.272 1.00 -9.58 O ATOM 440 NE2 GLN A 27 -29.450 -8.794 53.839 1.00 -9.58 N ATOM 441 1HE2 GLN A 27 -28.987 -8.221 53.155 1.00 -9.58 H ATOM 442 2HE2 GLN A 27 -29.493 -8.516 54.805 1.00 -9.58 H ATOM 443 N ILE A 28 -31.358 -11.562 58.115 1.00 17.81 N ATOM 444 H ILE A 28 -31.675 -12.502 57.882 1.00 17.81 H ATOM 445 CA ILE A 28 -30.465 -11.382 59.258 1.00 17.81 C ATOM 446 HA ILE A 28 -30.476 -10.330 59.537 1.00 17.81 H ATOM 447 C ILE A 28 -29.027 -11.713 58.869 1.00 17.81 C ATOM 448 O ILE A 28 -28.087 -11.385 59.606 1.00 17.81 O ATOM 449 CB ILE A 28 -30.947 -12.175 60.503 1.00 17.81 C ATOM 450 HB ILE A 28 -30.262 -11.958 61.316 1.00 17.81 H ATOM 451 CG1 ILE A 28 -30.938 -13.696 60.262 1.00 17.81 C ATOM 452 1HG1 ILE A 28 -31.760 -13.947 59.594 1.00 17.81 H ATOM 453 2HG1 ILE A 28 -30.005 -13.973 59.773 1.00 17.81 H ATOM 454 CG2 ILE A 28 -32.351 -11.673 60.912 1.00 17.81 C ATOM 455 1HG2 ILE A 28 -32.617 -12.080 61.888 1.00 17.81 H ATOM 456 2HG2 ILE A 28 -33.101 -11.985 60.183 1.00 17.81 H ATOM 457 3HG2 ILE A 28 -32.358 -10.586 60.985 1.00 17.81 H ATOM 458 CD1 ILE A 28 -31.069 -14.547 61.523 1.00 17.81 C ATOM 459 1HD1 ILE A 28 -31.102 -15.598 61.252 1.00 17.81 H ATOM 460 2HD1 ILE A 28 -31.979 -14.297 62.062 1.00 17.81 H ATOM 461 3HD1 ILE A 28 -30.210 -14.379 62.173 1.00 17.81 H ATOM 462 N GLY A 29 -28.850 -12.296 57.692 1.00 -6.23 N ATOM 463 H GLY A 29 -29.651 -12.558 57.126 1.00 -6.23 H ATOM 464 CA GLY A 29 -27.531 -12.612 57.175 1.00 -6.23 C ATOM 465 1HA GLY A 29 -27.016 -11.697 56.882 1.00 -6.23 H ATOM 466 2HA GLY A 29 -26.953 -13.111 57.945 1.00 -6.23 H ATOM 467 C GLY A 29 -27.648 -13.525 55.973 1.00 -6.23 C ATOM 468 O GLY A 29 -28.702 -13.549 55.335 1.00 -6.23 O ATOM 469 N THR A 30 -26.607 -14.281 55.670 1.00 7.58 N ATOM 470 H THR A 30 -25.767 -14.240 56.249 1.00 7.58 H ATOM 471 CA THR A 30 -26.593 -15.228 54.556 1.00 7.58 C ATOM 472 HA THR A 30 -27.572 -15.291 54.091 1.00 7.58 H ATOM 473 C THR A 30 -26.216 -16.596 55.103 1.00 7.58 C ATOM 474 O THR A 30 -25.778 -16.705 56.248 1.00 7.58 O ATOM 475 CB THR A 30 -25.555 -14.828 53.489 1.00 7.58 C ATOM 476 HB THR A 30 -25.523 -15.588 52.708 1.00 7.58 H ATOM 477 OG1 THR A 30 -24.271 -14.718 54.108 1.00 7.58 O ATOM 478 HG1 THR A 30 -23.635 -14.440 53.444 1.00 7.58 H ATOM 479 CG2 THR A 30 -25.884 -13.482 52.861 1.00 7.58 C ATOM 480 1HG2 THR A 30 -25.193 -13.292 52.040 1.00 7.58 H ATOM 481 2HG2 THR A 30 -25.784 -12.689 53.602 1.00 7.58 H ATOM 482 3HG2 THR A 30 -26.903 -13.496 52.475 1.00 7.58 H ATOM 483 N CYS A 31 -26.370 -17.634 54.294 1.00 22.76 N ATOM 484 H CYS A 31 -26.773 -17.494 53.367 1.00 22.76 H ATOM 485 CA CYS A 31 -25.973 -18.981 54.694 1.00 22.76 C ATOM 486 HA CYS A 31 -25.664 -18.958 55.735 1.00 22.76 H ATOM 487 C CYS A 31 -24.793 -19.516 53.882 1.00 22.76 C ATOM 488 O CYS A 31 -24.643 -20.724 53.787 1.00 22.76 O ATOM 489 CB CYS A 31 -27.146 -19.955 54.600 1.00 22.76 C ATOM 490 1HB CYS A 31 -27.498 -19.986 53.576 1.00 22.76 H ATOM 491 2HB CYS A 31 -26.784 -20.946 54.864 1.00 22.76 H ATOM 492 SG CYS A 31 -28.530 -19.559 55.711 1.00 22.76 S ATOM 493 N LEU A 32 -23.964 -18.632 53.335 1.00 33.04 N ATOM 494 H LEU A 32 -24.140 -17.655 53.515 1.00 33.04 H ATOM 495 CA LEU A 32 -22.772 -18.938 52.508 1.00 33.04 C ATOM 496 HA LEU A 32 -22.293 -17.980 52.307 1.00 33.04 H ATOM 497 C LEU A 32 -23.028 -19.555 51.131 1.00 33.04 C ATOM 498 O LEU A 32 -22.332 -19.225 50.174 1.00 33.04 O ATOM 499 CB LEU A 32 -21.740 -19.776 53.290 1.00 33.04 C ATOM 500 1HB LEU A 32 -21.656 -19.319 54.266 1.00 33.04 H ATOM 501 2HB LEU A 32 -22.141 -20.776 53.442 1.00 33.04 H ATOM 502 CG LEU A 32 -20.305 -19.927 52.759 1.00 33.04 C ATOM 503 HG LEU A 32 -20.048 -19.036 52.187 1.00 33.04 H ATOM 504 CD1 LEU A 32 -19.342 -20.023 53.946 1.00 33.04 C ATOM 505 1HD1 LEU A 32 -18.318 -20.094 53.576 1.00 33.04 H ATOM 506 2HD1 LEU A 32 -19.567 -20.902 54.548 1.00 33.04 H ATOM 507 3HD1 LEU A 32 -19.423 -19.123 54.556 1.00 33.04 H ATOM 508 CD2 LEU A 32 -20.118 -21.164 51.873 1.00 33.04 C ATOM 509 1HD2 LEU A 32 -19.081 -21.223 51.541 1.00 33.04 H ATOM 510 2HD2 LEU A 32 -20.751 -21.086 50.990 1.00 33.04 H ATOM 511 3HD2 LEU A 32 -20.373 -22.070 52.421 1.00 33.04 H ATOM 512 N GLY A 33 -24.032 -20.409 51.002 1.00 20.73 N ATOM 513 H GLY A 33 -24.566 -20.679 51.820 1.00 20.73 H ATOM 514 CA GLY A 33 -24.375 -20.938 49.693 1.00 20.73 C ATOM 515 1HA GLY A 33 -23.496 -21.430 49.279 1.00 20.73 H ATOM 516 2HA GLY A 33 -25.185 -21.660 49.779 1.00 20.73 H ATOM 517 C GLY A 33 -24.798 -19.802 48.774 1.00 20.73 C ATOM 518 O GLY A 33 -25.325 -18.795 49.271 1.00 20.73 O ATOM 519 N PRO A 34 -24.585 -19.900 47.448 1.00 -2.93 N ATOM 520 CA PRO A 34 -24.921 -18.735 46.618 1.00 -2.93 C ATOM 521 HA PRO A 34 -24.281 -17.898 46.898 1.00 -2.93 H ATOM 522 C PRO A 34 -26.383 -18.323 46.723 1.00 -2.93 C ATOM 523 O PRO A 34 -27.277 -19.162 46.656 1.00 -2.93 O ATOM 524 CB PRO A 34 -24.593 -19.212 45.199 1.00 -2.93 C ATOM 525 1HB PRO A 34 -25.477 -19.646 44.733 1.00 -2.93 H ATOM 526 2HB PRO A 34 -24.205 -18.393 44.594 1.00 -2.93 H ATOM 527 CG PRO A 34 -23.556 -20.256 45.400 1.00 -2.93 C ATOM 528 1HG PRO A 34 -23.501 -20.925 44.541 1.00 -2.93 H ATOM 529 2HG PRO A 34 -22.589 -19.787 45.587 1.00 -2.93 H ATOM 530 CD PRO A 34 -24.020 -20.987 46.627 1.00 -2.93 C ATOM 531 1HD PRO A 34 -24.794 -21.714 46.376 1.00 -2.93 H ATOM 532 2HD PRO A 34 -23.177 -21.467 47.124 1.00 -2.93 H ATOM 533 N ARG A 35 -26.593 -17.024 46.918 1.00 34.28 N ATOM 534 H ARG A 35 -25.777 -16.429 46.948 1.00 34.28 H ATOM 535 CA ARG A 35 -27.898 -16.374 47.168 1.00 34.28 C ATOM 536 HA ARG A 35 -27.705 -15.307 47.266 1.00 34.28 H ATOM 537 C ARG A 35 -28.639 -16.783 48.444 1.00 34.28 C ATOM 538 O ARG A 35 -29.625 -16.135 48.777 1.00 34.28 O ATOM 539 CB ARG A 35 -28.896 -16.539 46.006 1.00 34.28 C ATOM 540 1HB ARG A 35 -29.302 -17.542 46.061 1.00 34.28 H ATOM 541 2HB ARG A 35 -29.725 -15.852 46.176 1.00 34.28 H ATOM 542 CG ARG A 35 -28.376 -16.298 44.588 1.00 34.28 C ATOM 543 1HG ARG A 35 -29.073 -15.637 44.072 1.00 34.28 H ATOM 544 2HG ARG A 35 -27.409 -15.798 44.640 1.00 34.28 H ATOM 545 CD ARG A 35 -28.230 -17.591 43.765 1.00 34.28 C ATOM 546 1HD ARG A 35 -27.721 -17.338 42.834 1.00 34.28 H ATOM 547 2HD ARG A 35 -27.598 -18.292 44.306 1.00 34.28 H ATOM 548 NE ARG A 35 -29.510 -18.241 43.425 1.00 34.28 N ATOM 549 HE ARG A 35 -30.016 -17.836 42.655 1.00 34.28 H ATOM 550 CZ ARG A 35 -30.045 -19.311 44.004 1.00 34.28 C ATOM 551 NH1 ARG A 35 -31.149 -19.792 43.505 1.00 34.28 N ATOM 552 1HH1 ARG A 35 -31.575 -19.358 42.706 1.00 34.28 H ATOM 553 2HH1 ARG A 35 -31.577 -20.596 43.926 1.00 34.28 H ATOM 554 NH2 ARG A 35 -29.541 -19.938 45.034 1.00 34.28 N ATOM 555 1HH2 ARG A 35 -28.699 -19.586 45.485 1.00 34.28 H ATOM 556 2HH2 ARG A 35 -30.001 -20.738 45.421 1.00 34.28 H ATOM 557 N ILE A 36 -28.195 -17.813 49.152 1.00 31.32 N ATOM 558 H ILE A 36 -27.323 -18.263 48.906 1.00 31.32 H ATOM 559 CA ILE A 36 -28.974 -18.353 50.265 1.00 31.32 C ATOM 560 HA ILE A 36 -30.002 -18.468 49.924 1.00 31.32 H ATOM 561 C ILE A 36 -28.941 -17.341 51.411 1.00 31.32 C ATOM 562 O ILE A 36 -27.872 -16.936 51.886 1.00 31.32 O ATOM 563 CB ILE A 36 -28.458 -19.736 50.778 1.00 31.32 C ATOM 564 HB ILE A 36 -27.509 -19.572 51.288 1.00 31.32 H ATOM 565 CG1 ILE A 36 -28.186 -20.750 49.643 1.00 31.32 C ATOM 566 1HG1 ILE A 36 -27.415 -20.343 48.999 1.00 31.32 H ATOM 567 2HG1 ILE A 36 -27.774 -21.648 50.101 1.00 31.32 H ATOM 568 CG2 ILE A 36 -29.462 -20.343 51.784 1.00 31.32 C ATOM 569 1HG2 ILE A 36 -29.098 -21.307 52.136 1.00 31.32 H ATOM 570 2HG2 ILE A 36 -30.439 -20.478 51.319 1.00 31.32 H ATOM 571 3HG2 ILE A 36 -29.580 -19.682 52.643 1.00 31.32 H ATOM 572 CD1 ILE A 36 -29.347 -21.184 48.747 1.00 31.32 C ATOM 573 1HD1 ILE A 36 -28.978 -21.892 48.006 1.00 31.32 H ATOM 574 2HD1 ILE A 36 -29.757 -20.319 48.230 1.00 31.32 H ATOM 575 3HD1 ILE A 36 -30.125 -21.668 49.337 1.00 31.32 H ATOM 576 N LYS A 37 -30.115 -16.918 51.848 1.00 -4.50 N ATOM 577 H LYS A 37 -30.958 -17.347 51.469 1.00 -4.50 H ATOM 578 CA LYS A 37 -30.263 -15.894 52.878 1.00 -4.50 C ATOM 579 HA LYS A 37 -29.350 -15.311 52.974 1.00 -4.50 H ATOM 580 C LYS A 37 -30.572 -16.591 54.178 1.00 -4.50 C ATOM 581 O LYS A 37 -31.271 -17.589 54.157 1.00 -4.50 O ATOM 582 CB LYS A 37 -31.451 -14.987 52.550 1.00 -4.50 C ATOM 583 1HB LYS A 37 -32.356 -15.590 52.587 1.00 -4.50 H ATOM 584 2HB LYS A 37 -31.522 -14.222 53.323 1.00 -4.50 H ATOM 585 CG LYS A 37 -31.410 -14.308 51.195 1.00 -4.50 C ATOM 586 1HG LYS A 37 -31.391 -15.056 50.405 1.00 -4.50 H ATOM 587 2HG LYS A 37 -32.316 -13.712 51.085 1.00 -4.50 H ATOM 588 CD LYS A 37 -30.207 -13.397 51.060 1.00 -4.50 C ATOM 589 1HD LYS A 37 -30.191 -12.725 51.914 1.00 -4.50 H ATOM 590 2HD LYS A 37 -29.289 -13.985 51.047 1.00 -4.50 H ATOM 591 CE LYS A 37 -30.297 -12.586 49.785 1.00 -4.50 C ATOM 592 1HE LYS A 37 -30.226 -13.256 48.924 1.00 -4.50 H ATOM 593 2HE LYS A 37 -31.263 -12.078 49.755 1.00 -4.50 H ATOM 594 NZ LYS A 37 -29.206 -11.566 49.753 1.00 -4.50 N ATOM 595 1HZ LYS A 37 -29.275 -11.016 48.909 1.00 -4.50 H ATOM 596 2HZ LYS A 37 -28.308 -12.024 49.791 1.00 -4.50 H ATOM 597 3HZ LYS A 37 -29.305 -10.954 50.561 1.00 -4.50 H ATOM 598 N CYS A 38 -30.142 -16.032 55.294 1.00-23.19 N ATOM 599 H CYS A 38 -29.574 -15.192 55.254 1.00-23.19 H ATOM 600 CA CYS A 38 -30.601 -16.487 56.598 1.00-23.19 C ATOM 601 HA CYS A 38 -31.074 -17.465 56.524 1.00-23.19 H ATOM 602 C CYS A 38 -31.626 -15.428 56.976 1.00-23.19 C ATOM 603 O CYS A 38 -31.290 -14.236 57.009 1.00-23.19 O ATOM 604 CB CYS A 38 -29.460 -16.536 57.617 1.00-23.19 C ATOM 605 1HB CYS A 38 -28.656 -17.156 57.224 1.00-23.19 H ATOM 606 2HB CYS A 38 -29.078 -15.526 57.761 1.00-23.19 H ATOM 607 SG CYS A 38 -29.980 -17.202 59.232 1.00-23.19 S ATOM 608 N CYS A 39 -32.866 -15.830 57.202 1.00-20.94 N ATOM 609 H CYS A 39 -33.093 -16.822 57.138 1.00-20.94 H ATOM 610 CA CYS A 39 -33.936 -14.892 57.525 1.00-20.94 C ATOM 611 HA CYS A 39 -33.509 -13.903 57.641 1.00-20.94 H ATOM 612 C CYS A 39 -34.639 -15.255 58.826 1.00-20.94 C ATOM 613 O CYS A 39 -34.651 -16.421 59.228 1.00-20.94 O ATOM 614 CB CYS A 39 -34.959 -14.842 56.386 1.00-20.94 C ATOM 615 1HB CYS A 39 -35.407 -15.830 56.279 1.00-20.94 H ATOM 616 2HB CYS A 39 -35.742 -14.130 56.647 1.00-20.94 H ATOM 617 SG CYS A 39 -34.228 -14.356 54.790 1.00-20.94 S ATOM 618 N ARG A 40 -35.244 -14.260 59.460 1.00 -6.78 N ATOM 619 H ARG A 40 -35.197 -13.319 59.071 1.00 -6.78 H ATOM 620 CA ARG A 40 -36.002 -14.444 60.697 1.00 -6.78 C ATOM 621 HA ARG A 40 -36.203 -15.502 60.850 1.00 -6.78 H ATOM 622 C ARG A 40 -37.320 -13.711 60.565 1.00 -6.78 C ATOM 623 O ARG A 40 -37.283 -12.549 60.125 1.00 -6.78 O ATOM 624 OXT ARG A 40 -38.377 -14.307 60.833 1.00 -6.78 O ATOM 625 CB ARG A 40 -35.210 -13.897 61.887 1.00 -6.78 C ATOM 626 1HB ARG A 40 -34.211 -14.325 61.856 1.00 -6.78 H ATOM 627 2HB ARG A 40 -35.131 -12.815 61.785 1.00 -6.78 H ATOM 628 CG ARG A 40 -35.835 -14.220 63.235 1.00 -6.78 C ATOM 629 1HG ARG A 40 -36.876 -13.897 63.234 1.00 -6.78 H ATOM 630 2HG ARG A 40 -35.807 -15.299 63.382 1.00 -6.78 H ATOM 631 CD ARG A 40 -35.122 -13.531 64.402 1.00 -6.78 C ATOM 632 1HD ARG A 40 -35.237 -12.453 64.289 1.00 -6.78 H ATOM 633 2HD ARG A 40 -35.612 -13.828 65.329 1.00 -6.78 H ATOM 634 NE ARG A 40 -33.687 -13.832 64.506 1.00 -6.78 N ATOM 635 HE ARG A 40 -33.029 -13.101 64.232 1.00 -6.78 H ATOM 636 CZ ARG A 40 -33.135 -14.940 64.974 1.00 -6.78 C ATOM 637 NH1 ARG A 40 -31.850 -14.973 65.096 1.00 -6.78 N ATOM 638 1HH1 ARG A 40 -31.287 -14.160 64.840 1.00 -6.78 H ATOM 639 2HH1 ARG A 40 -31.411 -15.814 65.444 1.00 -6.78 H ATOM 640 NH2 ARG A 40 -33.790 -16.018 65.313 1.00 -6.78 N ATOM 641 1HH2 ARG A 40 -34.786 -16.052 65.235 1.00 -6.78 H ATOM 642 2HH2 ARG A 40 -33.267 -16.824 65.628 1.00 -6.78 H TER 643 ARG A 40 CONECT 138 135 607 CONECT 256 253 492 CONECT 339 336 617 CONECT 492 256 489 CONECT 607 138 604 CONECT 617 339 614 END
SEQUENCE	EGVRNFVTCRINRGFCVPIRCPGHRRQIGTCLGPRIKCCR
HELICITY	0.00	INSTAB. INDEX	30.40	FLEXIBILITY	12.03
a HYD. MOM.	55.66	b HYD. MOM.	29.02	c HYD. MOM	3.55
a MEAN HYD. MOM.	1.39	b MEAN HYD. MOM.	0.73	c MEAN HYD. MOM.	0.09
CHARGE pH5	9.06	CHARGE pH7	7.82	CHARGE pH9	2.85
Δ CHARGE pH5-pH9	6.20	ISOELECTRIC POINT	10.63	BOMAN INDEX	2.63
ΔG	22	CPP	-0,16	MLP	-5,56
MOLECULAR VOLUME		POLARITY
MIC E. coli	26	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	26	MIC M. luteus		MIC B. subtilis
MIC C. albicans		OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Chordata	CLASS	Mammalia	ORDER	Artiodactyla
FAMILY	Bovidae	GENUS	Bos	SPECIES	Bos taurus
DATE	1993
TITLE PAPER	Purification, primary structures, and antibacterial activities of beta-defensins, a new family of antimicrobial peptides from bovine neutrophils