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ID	2378	NAME	Beta-defensin 9   Blast NCBI-PROT
LENGTH	40	DISULFIDE BRIDGE	3		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\QGVRNFVTCRINRGFCVPIRCPGHRRQIGTCLAPQIKCCR.pdb REMARK YASARA Written on: Wed May 14 18:46:05 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 640 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 GLN 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 ALA PRO GLN 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 GLN A 1 -30.596 -6.883 55.165 1.00 -4.96 N ATOM 2 1H GLN A 1 -31.476 -6.549 55.530 1.00 -4.96 H ATOM 3 2H GLN A 1 -30.768 -7.657 54.537 1.00 -4.96 H ATOM 4 3H GLN A 1 -30.137 -6.136 54.664 1.00 -4.96 H ATOM 5 CA GLN A 1 -29.731 -7.338 56.290 1.00 -4.96 C ATOM 6 HA GLN A 1 -29.576 -6.504 56.973 1.00 -4.96 H ATOM 7 C GLN A 1 -28.359 -7.787 55.798 1.00 -4.96 C ATOM 8 O GLN A 1 -27.463 -7.891 56.612 1.00 -4.96 O ATOM 9 CB GLN A 1 -30.380 -8.490 57.066 1.00 -4.96 C ATOM 10 1HB GLN A 1 -30.576 -9.307 56.374 1.00 -4.96 H ATOM 11 2HB GLN A 1 -29.667 -8.843 57.812 1.00 -4.96 H ATOM 12 CG GLN A 1 -31.675 -8.130 57.795 1.00 -4.96 C ATOM 13 1HG GLN A 1 -31.491 -7.279 58.451 1.00 -4.96 H ATOM 14 2HG GLN A 1 -32.440 -7.858 57.069 1.00 -4.96 H ATOM 15 CD GLN A 1 -32.185 -9.286 58.629 1.00 -4.96 C ATOM 16 OE1 GLN A 1 -32.144 -10.426 58.205 1.00 -4.96 O ATOM 17 NE2 GLN A 1 -32.644 -9.010 59.817 1.00 -4.96 N ATOM 18 1HE2 GLN A 1 -32.965 -9.773 60.390 1.00 -4.96 H ATOM 19 2HE2 GLN A 1 -32.667 -8.064 60.155 1.00 -4.96 H ATOM 20 N GLY A 2 -28.155 -8.044 54.509 1.00 -8.17 N ATOM 21 H GLY A 2 -28.901 -8.012 53.829 1.00 -8.17 H ATOM 22 CA GLY A 2 -26.830 -8.423 54.035 1.00 -8.17 C ATOM 23 1HA GLY A 2 -26.710 -8.072 53.011 1.00 -8.17 H ATOM 24 2HA GLY A 2 -26.066 -7.942 54.648 1.00 -8.17 H ATOM 25 C GLY A 2 -26.583 -9.918 54.045 1.00 -8.17 C ATOM 26 O GLY A 2 -25.445 -10.371 53.996 1.00 -8.17 O ATOM 27 N VAL A 3 -27.657 -10.695 54.081 1.00 9.43 N ATOM 28 H VAL A 3 -28.577 -10.287 54.117 1.00 9.43 H ATOM 29 CA VAL A 3 -27.546 -12.151 54.007 1.00 9.43 C ATOM 30 HA VAL A 3 -26.902 -12.508 54.810 1.00 9.43 H ATOM 31 C VAL A 3 -26.899 -12.476 52.660 1.00 9.43 C ATOM 32 O VAL A 3 -27.314 -11.944 51.629 1.00 9.43 O ATOM 33 CB VAL A 3 -28.948 -12.817 54.119 1.00 9.43 C ATOM 34 HB VAL A 3 -29.600 -12.389 53.366 1.00 9.43 H ATOM 35 CG1 VAL A 3 -28.888 -14.311 53.868 1.00 9.43 C ATOM 36 1HG1 VAL A 3 -29.894 -14.715 53.926 1.00 9.43 H ATOM 37 2HG1 VAL A 3 -28.262 -14.798 54.611 1.00 9.43 H ATOM 38 3HG1 VAL A 3 -28.511 -14.520 52.866 1.00 9.43 H ATOM 39 CG2 VAL A 3 -29.572 -12.537 55.492 1.00 9.43 C ATOM 40 1HG2 VAL A 3 -30.530 -13.053 55.575 1.00 9.43 H ATOM 41 2HG2 VAL A 3 -29.745 -11.471 55.621 1.00 9.43 H ATOM 42 3HG2 VAL A 3 -28.913 -12.892 56.288 1.00 9.43 H ATOM 43 N ARG A 4 -25.877 -13.323 52.661 1.00 8.87 N ATOM 44 H ARG A 4 -25.532 -13.675 53.542 1.00 8.87 H ATOM 45 CA ARG A 4 -25.199 -13.704 51.417 1.00 8.87 C ATOM 46 HA ARG A 4 -25.721 -13.228 50.593 1.00 8.87 H ATOM 47 C ARG A 4 -25.208 -15.180 51.070 1.00 8.87 C ATOM 48 O ARG A 4 -24.683 -15.544 50.029 1.00 8.87 O ATOM 49 CB ARG A 4 -23.751 -13.183 51.428 1.00 8.87 C ATOM 50 1HB ARG A 4 -23.456 -13.020 52.465 1.00 8.87 H ATOM 51 2HB ARG A 4 -23.089 -13.945 51.021 1.00 8.87 H ATOM 52 CG ARG A 4 -23.517 -11.881 50.647 1.00 8.87 C ATOM 53 1HG ARG A 4 -24.147 -11.101 51.076 1.00 8.87 H ATOM 54 2HG ARG A 4 -22.475 -11.587 50.771 1.00 8.87 H ATOM 55 CD ARG A 4 -23.822 -11.990 49.141 1.00 8.87 C ATOM 56 1HD ARG A 4 -24.874 -12.219 49.020 1.00 8.87 H ATOM 57 2HD ARG A 4 -23.636 -11.020 48.678 1.00 8.87 H ATOM 58 NE ARG A 4 -23.020 -13.010 48.440 1.00 8.87 N ATOM 59 HE ARG A 4 -22.076 -13.135 48.765 1.00 8.87 H ATOM 60 CZ ARG A 4 -23.418 -13.768 47.423 1.00 8.87 C ATOM 61 NH1 ARG A 4 -22.557 -14.566 46.856 1.00 8.87 N ATOM 62 1HH1 ARG A 4 -21.595 -14.575 47.145 1.00 8.87 H ATOM 63 2HH1 ARG A 4 -22.874 -15.192 46.118 1.00 8.87 H ATOM 64 NH2 ARG A 4 -24.632 -13.779 46.935 1.00 8.87 N ATOM 65 1HH2 ARG A 4 -25.353 -13.204 47.353 1.00 8.87 H ATOM 66 2HH2 ARG A 4 -24.850 -14.378 46.150 1.00 8.87 H ATOM 67 N ASN A 5 -25.788 -16.038 51.897 1.00 13.06 N ATOM 68 H ASN A 5 -26.249 -15.713 52.732 1.00 13.06 H ATOM 69 CA ASN A 5 -25.850 -17.465 51.582 1.00 13.06 C ATOM 70 HA ASN A 5 -25.923 -17.566 50.504 1.00 13.06 H ATOM 71 C ASN A 5 -27.099 -18.097 52.189 1.00 13.06 C ATOM 72 O ASN A 5 -27.727 -17.527 53.079 1.00 13.06 O ATOM 73 CB ASN A 5 -24.575 -18.196 52.033 1.00 13.06 C ATOM 74 1HB ASN A 5 -24.577 -19.206 51.626 1.00 13.06 H ATOM 75 2HB ASN A 5 -23.707 -17.670 51.641 1.00 13.06 H ATOM 76 CG ASN A 5 -24.458 -18.296 53.524 1.00 13.06 C ATOM 77 OD1 ASN A 5 -25.172 -19.062 54.145 1.00 13.06 O ATOM 78 ND2 ASN A 5 -23.583 -17.533 54.109 1.00 13.06 N ATOM 79 1HD2 ASN A 5 -23.549 -17.536 55.119 1.00 13.06 H ATOM 80 2HD2 ASN A 5 -22.961 -16.955 53.572 1.00 13.06 H ATOM 81 N PHE A 6 -27.448 -19.285 51.718 1.00 10.46 N ATOM 82 H PHE A 6 -26.859 -19.744 51.034 1.00 10.46 H ATOM 83 CA PHE A 6 -28.679 -19.968 52.119 1.00 10.46 C ATOM 84 HA PHE A 6 -29.504 -19.259 52.051 1.00 10.46 H ATOM 85 C PHE A 6 -28.696 -20.532 53.541 1.00 10.46 C ATOM 86 O PHE A 6 -29.765 -20.847 54.064 1.00 10.46 O ATOM 87 CB PHE A 6 -28.948 -21.113 51.138 1.00 10.46 C ATOM 88 1HB PHE A 6 -29.581 -21.859 51.619 1.00 10.46 H ATOM 89 2HB PHE A 6 -29.489 -20.717 50.282 1.00 10.46 H ATOM 90 CG PHE A 6 -27.696 -21.774 50.627 1.00 10.46 C ATOM 91 CD1 PHE A 6 -26.973 -22.671 51.434 1.00 10.46 C ATOM 92 HD1 PHE A 6 -27.333 -22.923 52.418 1.00 10.46 H ATOM 93 CD2 PHE A 6 -27.225 -21.484 49.333 1.00 10.46 C ATOM 94 HD2 PHE A 6 -27.785 -20.823 48.687 1.00 10.46 H ATOM 95 CE1 PHE A 6 -25.762 -23.244 50.974 1.00 10.46 C ATOM 96 HE1 PHE A 6 -25.206 -23.924 51.605 1.00 10.46 H ATOM 97 CE2 PHE A 6 -26.025 -22.058 48.855 1.00 10.46 C ATOM 98 HE2 PHE A 6 -25.679 -21.832 47.856 1.00 10.46 H ATOM 99 CZ PHE A 6 -25.286 -22.933 49.681 1.00 10.46 C ATOM 100 HZ PHE A 6 -24.362 -23.367 49.321 1.00 10.46 H ATOM 101 N VAL A 7 -27.553 -20.667 54.196 1.00-16.04 N ATOM 102 H VAL A 7 -26.672 -20.380 53.780 1.00-16.04 H ATOM 103 CA VAL A 7 -27.547 -21.148 55.578 1.00-16.04 C ATOM 104 HA VAL A 7 -28.317 -21.907 55.701 1.00-16.04 H ATOM 105 C VAL A 7 -27.908 -19.941 56.432 1.00-16.04 C ATOM 106 O VAL A 7 -28.828 -20.003 57.238 1.00-16.04 O ATOM 107 CB VAL A 7 -26.174 -21.741 56.006 1.00-16.04 C ATOM 108 HB VAL A 7 -25.418 -20.961 55.951 1.00-16.04 H ATOM 109 CG1 VAL A 7 -26.224 -22.269 57.441 1.00-16.04 C ATOM 110 1HG1 VAL A 7 -25.250 -22.676 57.720 1.00-16.04 H ATOM 111 2HG1 VAL A 7 -26.978 -23.051 57.537 1.00-16.04 H ATOM 112 3HG1 VAL A 7 -26.463 -21.459 58.131 1.00-16.04 H ATOM 113 CG2 VAL A 7 -25.757 -22.875 55.056 1.00-16.04 C ATOM 114 1HG2 VAL A 7 -24.813 -23.307 55.400 1.00-16.04 H ATOM 115 2HG2 VAL A 7 -25.595 -22.485 54.052 1.00-16.04 H ATOM 116 3HG2 VAL A 7 -26.514 -23.658 55.037 1.00-16.04 H ATOM 117 N THR A 8 -27.251 -18.817 56.185 1.00 -8.53 N ATOM 118 H THR A 8 -26.497 -18.814 55.498 1.00 -8.53 H ATOM 119 CA THR A 8 -27.542 -17.568 56.888 1.00 -8.53 C ATOM 120 HA THR A 8 -27.422 -17.728 57.957 1.00 -8.53 H ATOM 121 C THR A 8 -28.978 -17.129 56.635 1.00 -8.53 C ATOM 122 O THR A 8 -29.642 -16.648 57.535 1.00 -8.53 O ATOM 123 CB THR A 8 -26.562 -16.465 56.441 1.00 -8.53 C ATOM 124 HB THR A 8 -26.745 -16.221 55.395 1.00 -8.53 H ATOM 125 OG1 THR A 8 -25.227 -16.956 56.574 1.00 -8.53 O ATOM 126 HG1 THR A 8 -25.005 -16.955 57.511 1.00 -8.53 H ATOM 127 CG2 THR A 8 -26.661 -15.208 57.284 1.00 -8.53 C ATOM 128 1HG2 THR A 8 -25.897 -14.496 56.975 1.00 -8.53 H ATOM 129 2HG2 THR A 8 -26.520 -15.448 58.340 1.00 -8.53 H ATOM 130 3HG2 THR A 8 -27.645 -14.751 57.165 1.00 -8.53 H ATOM 131 N CYS A 9 -29.498 -17.381 55.443 1.00 -4.21 N ATOM 132 H CYS A 9 -28.912 -17.772 54.715 1.00 -4.21 H ATOM 133 CA CYS A 9 -30.897 -17.075 55.150 1.00 -4.21 C ATOM 134 HA CYS A 9 -31.049 -16.003 55.263 1.00 -4.21 H ATOM 135 C CYS A 9 -31.837 -17.765 56.133 1.00 -4.21 C ATOM 136 O CYS A 9 -32.728 -17.136 56.687 1.00 -4.21 O ATOM 137 CB CYS A 9 -31.226 -17.482 53.709 1.00 -4.21 C ATOM 138 1HB CYS A 9 -30.476 -17.052 53.046 1.00 -4.21 H ATOM 139 2HB CYS A 9 -31.171 -18.567 53.632 1.00 -4.21 H ATOM 140 SG CYS A 9 -32.870 -16.959 53.123 1.00 -4.21 S ATOM 141 N ARG A 10 -31.592 -19.036 56.415 1.00 18.75 N ATOM 142 H ARG A 10 -30.804 -19.498 55.982 1.00 18.75 H ATOM 143 CA ARG A 10 -32.426 -19.788 57.353 1.00 18.75 C ATOM 144 HA ARG A 10 -33.469 -19.504 57.194 1.00 18.75 H ATOM 145 C ARG A 10 -32.120 -19.500 58.820 1.00 18.75 C ATOM 146 O ARG A 10 -33.014 -19.603 59.649 1.00 18.75 O ATOM 147 CB ARG A 10 -32.292 -21.279 57.051 1.00 18.75 C ATOM 148 1HB ARG A 10 -31.232 -21.528 56.998 1.00 18.75 H ATOM 149 2HB ARG A 10 -32.746 -21.849 57.863 1.00 18.75 H ATOM 150 CG ARG A 10 -32.990 -21.660 55.743 1.00 18.75 C ATOM 151 1HG ARG A 10 -34.066 -21.542 55.879 1.00 18.75 H ATOM 152 2HG ARG A 10 -32.666 -20.998 54.941 1.00 18.75 H ATOM 153 CD ARG A 10 -32.692 -23.093 55.334 1.00 18.75 C ATOM 154 1HD ARG A 10 -32.843 -23.751 56.191 1.00 18.75 H ATOM 155 2HD ARG A 10 -33.379 -23.380 54.536 1.00 18.75 H ATOM 156 NE ARG A 10 -31.313 -23.212 54.837 1.00 18.75 N ATOM 157 HE ARG A 10 -30.800 -22.340 54.731 1.00 18.75 H ATOM 158 CZ ARG A 10 -30.689 -24.329 54.491 1.00 18.75 C ATOM 159 NH1 ARG A 10 -29.469 -24.237 54.043 1.00 18.75 N ATOM 160 1HH1 ARG A 10 -29.040 -23.329 53.969 1.00 18.75 H ATOM 161 2HH1 ARG A 10 -28.967 -25.065 53.766 1.00 18.75 H ATOM 162 NH2 ARG A 10 -31.231 -25.520 54.564 1.00 18.75 N ATOM 163 1HH2 ARG A 10 -32.174 -25.613 54.905 1.00 18.75 H ATOM 164 2HH2 ARG A 10 -30.711 -26.337 54.288 1.00 18.75 H ATOM 165 N ILE A 11 -30.911 -19.069 59.147 1.00-24.73 N ATOM 166 H ILE A 11 -30.180 -19.049 58.444 1.00-24.73 H ATOM 167 CA ILE A 11 -30.601 -18.602 60.508 1.00-24.73 C ATOM 168 HA ILE A 11 -30.924 -19.352 61.228 1.00-24.73 H ATOM 169 C ILE A 11 -31.398 -17.322 60.766 1.00-24.73 C ATOM 170 O ILE A 11 -32.014 -17.153 61.823 1.00-24.73 O ATOM 171 CB ILE A 11 -29.070 -18.342 60.700 1.00-24.73 C ATOM 172 HB ILE A 11 -28.731 -17.674 59.909 1.00-24.73 H ATOM 173 CG1 ILE A 11 -28.298 -19.674 60.600 1.00-24.73 C ATOM 174 1HG1 ILE A 11 -28.528 -20.270 61.484 1.00-24.73 H ATOM 175 2HG1 ILE A 11 -28.653 -20.228 59.736 1.00-24.73 H ATOM 176 CG2 ILE A 11 -28.775 -17.666 62.068 1.00-24.73 C ATOM 177 1HG2 ILE A 11 -27.707 -17.489 62.183 1.00-24.73 H ATOM 178 2HG2 ILE A 11 -29.127 -18.293 62.888 1.00-24.73 H ATOM 179 3HG2 ILE A 11 -29.270 -16.693 62.120 1.00-24.73 H ATOM 180 CD1 ILE A 11 -26.768 -19.555 60.480 1.00-24.73 C ATOM 181 1HD1 ILE A 11 -26.340 -20.551 60.365 1.00-24.73 H ATOM 182 2HD1 ILE A 11 -26.350 -19.101 61.378 1.00-24.73 H ATOM 183 3HD1 ILE A 11 -26.508 -18.952 59.612 1.00-24.73 H ATOM 184 N ASN A 12 -31.452 -16.456 59.764 1.00 1.54 N ATOM 185 H ASN A 12 -30.914 -16.646 58.919 1.00 1.54 H ATOM 186 CA ASN A 12 -32.203 -15.200 59.822 1.00 1.54 C ATOM 187 HA ASN A 12 -32.108 -14.776 60.821 1.00 1.54 H ATOM 188 C ASN A 12 -33.692 -15.430 59.548 1.00 1.54 C ATOM 189 O ASN A 12 -34.491 -14.492 59.590 1.00 1.54 O ATOM 190 CB ASN A 12 -31.639 -14.197 58.804 1.00 1.54 C ATOM 191 1HB ASN A 12 -31.575 -14.669 57.825 1.00 1.54 H ATOM 192 2HB ASN A 12 -32.321 -13.352 58.736 1.00 1.54 H ATOM 193 CG ASN A 12 -30.276 -13.658 59.193 1.00 1.54 C ATOM 194 OD1 ASN A 12 -29.373 -14.371 59.592 1.00 1.54 O ATOM 195 ND2 ASN A 12 -30.123 -12.368 59.087 1.00 1.54 N ATOM 196 1HD2 ASN A 12 -29.238 -11.976 59.358 1.00 1.54 H ATOM 197 2HD2 ASN A 12 -30.885 -11.791 58.751 1.00 1.54 H ATOM 198 N ARG A 13 -34.044 -16.689 59.307 1.00 1.94 N ATOM 199 H ARG A 13 -33.299 -17.368 59.244 1.00 1.94 H ATOM 200 CA ARG A 13 -35.415 -17.202 59.143 1.00 1.94 C ATOM 201 HA ARG A 13 -35.314 -18.258 58.889 1.00 1.94 H ATOM 202 C ARG A 13 -36.174 -16.577 57.983 1.00 1.94 C ATOM 203 O ARG A 13 -37.391 -16.401 58.021 1.00 1.94 O ATOM 204 CB ARG A 13 -36.182 -17.155 60.471 1.00 1.94 C ATOM 205 1HB ARG A 13 -36.412 -16.124 60.727 1.00 1.94 H ATOM 206 2HB ARG A 13 -37.111 -17.716 60.365 1.00 1.94 H ATOM 207 CG ARG A 13 -35.338 -17.770 61.578 1.00 1.94 C ATOM 208 1HG ARG A 13 -34.930 -18.713 61.217 1.00 1.94 H ATOM 209 2HG ARG A 13 -34.515 -17.094 61.791 1.00 1.94 H ATOM 210 CD ARG A 13 -36.027 -18.042 62.887 1.00 1.94 C ATOM 211 1HD ARG A 13 -36.509 -17.133 63.249 1.00 1.94 H ATOM 212 2HD ARG A 13 -36.763 -18.837 62.757 1.00 1.94 H ATOM 213 NE ARG A 13 -34.971 -18.462 63.819 1.00 1.94 N ATOM 214 HE ARG A 13 -34.024 -18.382 63.467 1.00 1.94 H ATOM 215 CZ ARG A 13 -35.125 -18.935 65.047 1.00 1.94 C ATOM 216 NH1 ARG A 13 -34.057 -19.235 65.732 1.00 1.94 N ATOM 217 1HH1 ARG A 13 -33.144 -19.104 65.322 1.00 1.94 H ATOM 218 2HH1 ARG A 13 -34.138 -19.607 66.664 1.00 1.94 H ATOM 219 NH2 ARG A 13 -36.291 -19.127 65.610 1.00 1.94 N ATOM 220 1HH2 ARG A 13 -37.130 -18.918 65.095 1.00 1.94 H ATOM 221 2HH2 ARG A 13 -36.351 -19.487 66.549 1.00 1.94 H ATOM 222 N GLY A 14 -35.410 -16.278 56.947 1.00 -5.16 N ATOM 223 H GLY A 14 -34.410 -16.449 57.008 1.00 -5.16 H ATOM 224 CA GLY A 14 -35.941 -15.861 55.667 1.00 -5.16 C ATOM 225 1HA GLY A 14 -36.944 -15.456 55.788 1.00 -5.16 H ATOM 226 2HA GLY A 14 -35.295 -15.105 55.225 1.00 -5.16 H ATOM 227 C GLY A 14 -35.997 -17.062 54.749 1.00 -5.16 C ATOM 228 O GLY A 14 -35.647 -18.184 55.123 1.00 -5.16 O ATOM 229 N PHE A 15 -36.465 -16.820 53.537 1.00 -9.59 N ATOM 230 H PHE A 15 -36.711 -15.865 53.280 1.00 -9.59 H ATOM 231 CA PHE A 15 -36.736 -17.863 52.563 1.00 -9.59 C ATOM 232 HA PHE A 15 -36.411 -18.825 52.957 1.00 -9.59 H ATOM 233 C PHE A 15 -36.004 -17.555 51.264 1.00 -9.59 C ATOM 234 O PHE A 15 -36.085 -16.428 50.758 1.00 -9.59 O ATOM 235 CB PHE A 15 -38.248 -17.889 52.322 1.00 -9.59 C ATOM 236 1HB PHE A 15 -38.525 -16.983 51.782 1.00 -9.59 H ATOM 237 2HB PHE A 15 -38.497 -18.750 51.702 1.00 -9.59 H ATOM 238 CG PHE A 15 -39.056 -17.927 53.597 1.00 -9.59 C ATOM 239 CD1 PHE A 15 -39.523 -16.730 54.182 1.00 -9.59 C ATOM 240 HD1 PHE A 15 -39.323 -15.784 53.702 1.00 -9.59 H ATOM 241 CD2 PHE A 15 -39.330 -19.147 54.236 1.00 -9.59 C ATOM 242 HD2 PHE A 15 -38.975 -20.074 53.806 1.00 -9.59 H ATOM 243 CE1 PHE A 15 -40.237 -16.743 55.401 1.00 -9.59 C ATOM 244 HE1 PHE A 15 -40.568 -15.814 55.845 1.00 -9.59 H ATOM 245 CE2 PHE A 15 -40.054 -19.179 55.455 1.00 -9.59 C ATOM 246 HE2 PHE A 15 -40.251 -20.124 55.943 1.00 -9.59 H ATOM 247 CZ PHE A 15 -40.504 -17.972 56.041 1.00 -9.59 C ATOM 248 HZ PHE A 15 -41.037 -17.991 56.980 1.00 -9.59 H ATOM 249 N CYS A 16 -35.299 -18.535 50.717 1.00-18.46 N ATOM 250 H CYS A 16 -35.247 -19.433 51.165 1.00-18.46 H ATOM 251 CA CYS A 16 -34.641 -18.351 49.428 1.00-18.46 C ATOM 252 HA CYS A 16 -34.175 -17.372 49.407 1.00-18.46 H ATOM 253 C CYS A 16 -35.701 -18.430 48.337 1.00-18.46 C ATOM 254 O CYS A 16 -36.495 -19.369 48.321 1.00-18.46 O ATOM 255 CB CYS A 16 -33.577 -19.420 49.176 1.00-18.46 C ATOM 256 1HB CYS A 16 -34.049 -20.401 49.223 1.00-18.46 H ATOM 257 2HB CYS A 16 -33.180 -19.280 48.170 1.00-18.46 H ATOM 258 SG CYS A 16 -32.192 -19.361 50.357 1.00-18.46 S ATOM 259 N VAL A 17 -35.725 -17.449 47.448 1.00 8.53 N ATOM 260 H VAL A 17 -35.031 -16.702 47.511 1.00 8.53 H ATOM 261 CA VAL A 17 -36.716 -17.373 46.372 1.00 8.53 C ATOM 262 HA VAL A 17 -37.124 -18.367 46.202 1.00 8.53 H ATOM 263 C VAL A 17 -35.992 -16.924 45.101 1.00 8.53 C ATOM 264 O VAL A 17 -34.995 -16.210 45.179 1.00 8.53 O ATOM 265 CB VAL A 17 -37.887 -16.414 46.740 1.00 8.53 C ATOM 266 HB VAL A 17 -38.531 -16.306 45.869 1.00 8.53 H ATOM 267 CG1 VAL A 17 -38.732 -17.004 47.885 1.00 8.53 C ATOM 268 1HG1 VAL A 17 -39.631 -16.416 48.022 1.00 8.53 H ATOM 269 2HG1 VAL A 17 -38.157 -17.015 48.813 1.00 8.53 H ATOM 270 3HG1 VAL A 17 -39.017 -18.029 47.639 1.00 8.53 H ATOM 271 CG2 VAL A 17 -37.374 -15.032 47.151 1.00 8.53 C ATOM 272 1HG2 VAL A 17 -38.216 -14.390 47.379 1.00 8.53 H ATOM 273 2HG2 VAL A 17 -36.822 -14.585 46.326 1.00 8.53 H ATOM 274 3HG2 VAL A 17 -36.732 -15.098 48.031 1.00 8.53 H ATOM 275 N PRO A 18 -36.416 -17.408 43.921 1.00 23.06 N ATOM 276 CA PRO A 18 -35.409 -17.327 42.853 1.00 23.06 C ATOM 277 HA PRO A 18 -34.446 -17.645 43.246 1.00 23.06 H ATOM 278 C PRO A 18 -35.191 -16.001 42.121 1.00 23.06 C ATOM 279 O PRO A 18 -34.136 -15.817 41.529 1.00 23.06 O ATOM 280 CB PRO A 18 -35.901 -18.387 41.866 1.00 23.06 C ATOM 281 1HB PRO A 18 -35.591 -18.150 40.848 1.00 23.06 H ATOM 282 2HB PRO A 18 -35.532 -19.371 42.156 1.00 23.06 H ATOM 283 CG PRO A 18 -37.381 -18.346 42.007 1.00 23.06 C ATOM 284 1HG PRO A 18 -37.788 -17.482 41.481 1.00 23.06 H ATOM 285 2HG PRO A 18 -37.833 -19.267 41.638 1.00 23.06 H ATOM 286 CD PRO A 18 -37.582 -18.208 43.497 1.00 23.06 C ATOM 287 1HD PRO A 18 -38.516 -17.688 43.714 1.00 23.06 H ATOM 288 2HD PRO A 18 -37.562 -19.188 43.977 1.00 23.06 H ATOM 289 N ILE A 19 -36.182 -15.115 42.082 1.00 9.68 N ATOM 290 H ILE A 19 -37.028 -15.312 42.583 1.00 9.68 H ATOM 291 CA ILE A 19 -36.076 -13.887 41.271 1.00 9.68 C ATOM 292 HA ILE A 19 -35.026 -13.714 41.039 1.00 9.68 H ATOM 293 C ILE A 19 -36.594 -12.648 42.004 1.00 9.68 C ATOM 294 O ILE A 19 -35.988 -11.581 41.954 1.00 9.68 O ATOM 295 CB ILE A 19 -36.856 -14.010 39.904 1.00 9.68 C ATOM 296 HB ILE A 19 -37.924 -14.053 40.119 1.00 9.68 H ATOM 297 CG1 ILE A 19 -36.467 -15.295 39.138 1.00 9.68 C ATOM 298 1HG1 ILE A 19 -35.415 -15.228 38.857 1.00 9.68 H ATOM 299 2HG1 ILE A 19 -36.582 -16.150 39.797 1.00 9.68 H ATOM 300 CG2 ILE A 19 -36.573 -12.780 38.988 1.00 9.68 C ATOM 301 1HG2 ILE A 19 -37.197 -12.815 38.096 1.00 9.68 H ATOM 302 2HG2 ILE A 19 -35.523 -12.769 38.689 1.00 9.68 H ATOM 303 3HG2 ILE A 19 -36.790 -11.850 39.510 1.00 9.68 H ATOM 304 CD1 ILE A 19 -37.290 -15.605 37.877 1.00 9.68 C ATOM 305 1HD1 ILE A 19 -37.013 -16.592 37.504 1.00 9.68 H ATOM 306 2HD1 ILE A 19 -37.087 -14.871 37.097 1.00 9.68 H ATOM 307 3HD1 ILE A 19 -38.355 -15.602 38.115 1.00 9.68 H ATOM 308 N ARG A 20 -37.729 -12.764 42.681 1.00 6.04 N ATOM 309 H ARG A 20 -38.195 -13.656 42.756 1.00 6.04 H ATOM 310 CA ARG A 20 -38.352 -11.633 43.374 1.00 6.04 C ATOM 311 HA ARG A 20 -37.619 -10.849 43.570 1.00 6.04 H ATOM 312 C ARG A 20 -38.875 -12.183 44.681 1.00 6.04 C ATOM 313 O ARG A 20 -39.110 -13.386 44.771 1.00 6.04 O ATOM 314 CB ARG A 20 -39.537 -11.070 42.576 1.00 6.04 C ATOM 315 1HB ARG A 20 -40.243 -11.881 42.394 1.00 6.04 H ATOM 316 2HB ARG A 20 -40.035 -10.320 43.190 1.00 6.04 H ATOM 317 CG ARG A 20 -39.168 -10.434 41.237 1.00 6.04 C ATOM 318 1HG ARG A 20 -38.478 -9.608 41.408 1.00 6.04 H ATOM 319 2HG ARG A 20 -38.677 -11.180 40.616 1.00 6.04 H ATOM 320 CD ARG A 20 -40.396 -9.922 40.487 1.00 6.04 C ATOM 321 1HD ARG A 20 -40.088 -9.621 39.485 1.00 6.04 H ATOM 322 2HD ARG A 20 -41.119 -10.735 40.400 1.00 6.04 H ATOM 323 NE ARG A 20 -41.033 -8.775 41.155 1.00 6.04 N ATOM 324 HE ARG A 20 -40.588 -8.446 41.997 1.00 6.04 H ATOM 325 CZ ARG A 20 -42.123 -8.135 40.751 1.00 6.04 C ATOM 326 NH1 ARG A 20 -42.552 -7.122 41.451 1.00 6.04 N ATOM 327 1HH1 ARG A 20 -42.063 -6.837 42.285 1.00 6.04 H ATOM 328 2HH1 ARG A 20 -43.372 -6.615 41.158 1.00 6.04 H ATOM 329 NH2 ARG A 20 -42.799 -8.460 39.676 1.00 6.04 N ATOM 330 1HH2 ARG A 20 -42.492 -9.236 39.112 1.00 6.04 H ATOM 331 2HH2 ARG A 20 -43.624 -7.945 39.415 1.00 6.04 H ATOM 332 N CYS A 21 -39.090 -11.315 45.654 1.00 1.19 N ATOM 333 H CYS A 21 -38.848 -10.348 45.537 1.00 1.19 H ATOM 334 CA CYS A 21 -39.745 -11.720 46.889 1.00 1.19 C ATOM 335 HA CYS A 21 -39.247 -12.602 47.273 1.00 1.19 H ATOM 336 C CYS A 21 -41.219 -12.027 46.605 1.00 1.19 C ATOM 337 O CYS A 21 -41.818 -11.398 45.725 1.00 1.19 O ATOM 338 CB CYS A 21 -39.660 -10.601 47.928 1.00 1.19 C ATOM 339 1HB CYS A 21 -40.196 -9.729 47.551 1.00 1.19 H ATOM 340 2HB CYS A 21 -40.170 -10.928 48.833 1.00 1.19 H ATOM 341 SG CYS A 21 -37.965 -10.093 48.368 1.00 1.19 S ATOM 342 N PRO A 22 -41.827 -12.960 47.360 1.00 2.86 N ATOM 343 CA PRO A 22 -43.294 -13.006 47.393 1.00 2.86 C ATOM 344 HA PRO A 22 -43.699 -13.215 46.403 1.00 2.86 H ATOM 345 C PRO A 22 -43.881 -11.715 47.952 1.00 2.86 C ATOM 346 O PRO A 22 -43.174 -10.931 48.590 1.00 2.86 O ATOM 347 CB PRO A 22 -43.582 -14.160 48.361 1.00 2.86 C ATOM 348 1HB PRO A 22 -43.744 -13.769 49.366 1.00 2.86 H ATOM 349 2HB PRO A 22 -44.446 -14.737 48.032 1.00 2.86 H ATOM 350 CG PRO A 22 -42.355 -14.987 48.330 1.00 2.86 C ATOM 351 1HG PRO A 22 -42.273 -15.604 49.224 1.00 2.86 H ATOM 352 2HG PRO A 22 -42.344 -15.605 47.431 1.00 2.86 H ATOM 353 CD PRO A 22 -41.259 -13.967 48.271 1.00 2.86 C ATOM 354 1HD PRO A 22 -41.070 -13.531 49.251 1.00 2.86 H ATOM 355 2HD PRO A 22 -40.355 -14.403 47.855 1.00 2.86 H ATOM 356 N GLY A 23 -45.178 -11.518 47.751 1.00 11.40 N ATOM 357 H GLY A 23 -45.721 -12.200 47.251 1.00 11.40 H ATOM 358 CA GLY A 23 -45.838 -10.329 48.263 1.00 11.40 C ATOM 359 1HA GLY A 23 -45.408 -9.458 47.769 1.00 11.40 H ATOM 360 2HA GLY A 23 -46.903 -10.371 48.039 1.00 11.40 H ATOM 361 C GLY A 23 -45.654 -10.165 49.760 1.00 11.40 C ATOM 362 O GLY A 23 -45.567 -11.147 50.500 1.00 11.40 O ATOM 363 N HIS A 24 -45.546 -8.906 50.166 1.00 -9.40 N ATOM 364 H HIS A 24 -45.663 -8.179 49.478 1.00 -9.40 H ATOM 365 CA HIS A 24 -45.254 -8.460 51.536 1.00 -9.40 C ATOM 366 HA HIS A 24 -45.208 -7.372 51.499 1.00 -9.40 H ATOM 367 C HIS A 24 -43.927 -8.897 52.161 1.00 -9.40 C ATOM 368 O HIS A 24 -43.602 -8.436 53.252 1.00 -9.40 O ATOM 369 CB HIS A 24 -46.405 -8.809 52.487 1.00 -9.40 C ATOM 370 1HB HIS A 24 -46.409 -9.884 52.661 1.00 -9.40 H ATOM 371 2HB HIS A 24 -46.236 -8.307 53.439 1.00 -9.40 H ATOM 372 CG HIS A 24 -47.748 -8.401 51.970 1.00 -9.40 C ATOM 373 ND1 HIS A 24 -48.086 -7.085 51.739 1.00 -9.40 N ATOM 374 CD2 HIS A 24 -48.829 -9.160 51.633 1.00 -9.40 C ATOM 375 HD2 HIS A 24 -48.858 -10.239 51.703 1.00 -9.40 H ATOM 376 CE1 HIS A 24 -49.376 -7.107 51.287 1.00 -9.40 C ATOM 377 HE1 HIS A 24 -49.939 -6.220 51.030 1.00 -9.40 H ATOM 378 NE2 HIS A 24 -49.866 -8.369 51.208 1.00 -9.40 N ATOM 379 HE2 HIS A 24 -50.789 -8.655 50.913 1.00 -9.40 H ATOM 380 N ARG A 25 -43.134 -9.733 51.503 1.00 15.29 N ATOM 381 H ARG A 25 -43.416 -10.096 50.597 1.00 15.29 H ATOM 382 CA ARG A 25 -41.824 -10.111 52.039 1.00 15.29 C ATOM 383 HA ARG A 25 -41.855 -10.068 53.129 1.00 15.29 H ATOM 384 C ARG A 25 -40.795 -9.102 51.565 1.00 15.29 C ATOM 385 O ARG A 25 -40.912 -8.544 50.479 1.00 15.29 O ATOM 386 CB ARG A 25 -41.443 -11.534 51.636 1.00 15.29 C ATOM 387 1HB ARG A 25 -41.456 -11.628 50.552 1.00 15.29 H ATOM 388 2HB ARG A 25 -40.434 -11.730 51.996 1.00 15.29 H ATOM 389 CG ARG A 25 -42.379 -12.559 52.251 1.00 15.29 C ATOM 390 1HG ARG A 25 -42.518 -12.312 53.301 1.00 15.29 H ATOM 391 2HG ARG A 25 -43.348 -12.515 51.753 1.00 15.29 H ATOM 392 CD ARG A 25 -41.824 -13.968 52.161 1.00 15.29 C ATOM 393 1HD ARG A 25 -41.737 -14.247 51.116 1.00 15.29 H ATOM 394 2HD ARG A 25 -40.837 -13.996 52.627 1.00 15.29 H ATOM 395 NE ARG A 25 -42.711 -14.909 52.857 1.00 15.29 N ATOM 396 HE ARG A 25 -43.403 -14.492 53.461 1.00 15.29 H ATOM 397 CZ ARG A 25 -42.663 -16.233 52.796 1.00 15.29 C ATOM 398 NH1 ARG A 25 -43.451 -16.924 53.571 1.00 15.29 N ATOM 399 1HH1 ARG A 25 -44.080 -16.456 54.203 1.00 15.29 H ATOM 400 2HH1 ARG A 25 -43.418 -17.930 53.556 1.00 15.29 H ATOM 401 NH2 ARG A 25 -41.876 -16.895 51.987 1.00 15.29 N ATOM 402 1HH2 ARG A 25 -41.244 -16.389 51.389 1.00 15.29 H ATOM 403 2HH2 ARG A 25 -41.878 -17.901 51.987 1.00 15.29 H ATOM 404 N ARG A 26 -39.791 -8.858 52.391 1.00-15.89 N ATOM 405 H ARG A 26 -39.716 -9.410 53.254 1.00-15.89 H ATOM 406 CA ARG A 26 -38.783 -7.828 52.137 1.00-15.89 C ATOM 407 HA ARG A 26 -39.067 -7.245 51.260 1.00-15.89 H ATOM 408 C ARG A 26 -37.474 -8.543 51.883 1.00-15.89 C ATOM 409 O ARG A 26 -37.209 -9.560 52.521 1.00-15.89 O ATOM 410 CB ARG A 26 -38.636 -6.905 53.355 1.00-15.89 C ATOM 411 1HB ARG A 26 -38.103 -7.451 54.133 1.00-15.89 H ATOM 412 2HB ARG A 26 -38.025 -6.048 53.072 1.00-15.89 H ATOM 413 CG ARG A 26 -39.958 -6.406 53.951 1.00-15.89 C ATOM 414 1HG ARG A 26 -39.898 -5.331 54.126 1.00-15.89 H ATOM 415 2HG ARG A 26 -40.775 -6.601 53.256 1.00-15.89 H ATOM 416 CD ARG A 26 -40.229 -7.116 55.278 1.00-15.89 C ATOM 417 1HD ARG A 26 -39.927 -8.155 55.178 1.00-15.89 H ATOM 418 2HD ARG A 26 -39.615 -6.662 56.056 1.00-15.89 H ATOM 419 NE ARG A 26 -41.644 -7.066 55.677 1.00-15.89 N ATOM 420 HE ARG A 26 -42.068 -6.156 55.703 1.00-15.89 H ATOM 421 CZ ARG A 26 -42.416 -8.105 55.976 1.00-15.89 C ATOM 422 NH1 ARG A 26 -43.642 -7.878 56.356 1.00-15.89 N ATOM 423 1HH1 ARG A 26 -43.991 -6.938 56.401 1.00-15.89 H ATOM 424 2HH1 ARG A 26 -44.248 -8.652 56.562 1.00-15.89 H ATOM 425 NH2 ARG A 26 -42.029 -9.353 55.929 1.00-15.89 N ATOM 426 1HH2 ARG A 26 -41.093 -9.597 55.602 1.00-15.89 H ATOM 427 2HH2 ARG A 26 -42.655 -10.102 56.164 1.00-15.89 H ATOM 428 N GLN A 27 -36.656 -8.053 50.967 1.00 -4.68 N ATOM 429 H GLN A 27 -36.894 -7.209 50.472 1.00 -4.68 H ATOM 430 CA GLN A 27 -35.401 -8.732 50.663 1.00 -4.68 C ATOM 431 HA GLN A 27 -35.596 -9.802 50.606 1.00 -4.68 H ATOM 432 C GLN A 27 -34.388 -8.478 51.775 1.00 -4.68 C ATOM 433 O GLN A 27 -33.965 -7.347 52.005 1.00 -4.68 O ATOM 434 CB GLN A 27 -34.842 -8.274 49.314 1.00 -4.68 C ATOM 435 1HB GLN A 27 -35.642 -8.312 48.576 1.00 -4.68 H ATOM 436 2HB GLN A 27 -34.498 -7.243 49.397 1.00 -4.68 H ATOM 437 CG GLN A 27 -33.697 -9.149 48.827 1.00 -4.68 C ATOM 438 1HG GLN A 27 -32.900 -9.129 49.567 1.00 -4.68 H ATOM 439 2HG GLN A 27 -34.051 -10.174 48.728 1.00 -4.68 H ATOM 440 CD GLN A 27 -33.127 -8.699 47.503 1.00 -4.68 C ATOM 441 OE1 GLN A 27 -33.841 -8.427 46.553 1.00 -4.68 O ATOM 442 NE2 GLN A 27 -31.824 -8.627 47.426 1.00 -4.68 N ATOM 443 1HE2 GLN A 27 -31.416 -8.260 46.585 1.00 -4.68 H ATOM 444 2HE2 GLN A 27 -31.259 -8.941 48.194 1.00 -4.68 H ATOM 445 N ILE A 28 -33.976 -9.531 52.464 1.00 16.97 N ATOM 446 H ILE A 28 -34.348 -10.453 52.245 1.00 16.97 H ATOM 447 CA ILE A 28 -32.986 -9.401 53.529 1.00 16.97 C ATOM 448 HA ILE A 28 -32.951 -8.357 53.827 1.00 16.97 H ATOM 449 C ILE A 28 -31.594 -9.745 52.995 1.00 16.97 C ATOM 450 O ILE A 28 -30.584 -9.409 53.630 1.00 16.97 O ATOM 451 CB ILE A 28 -33.393 -10.203 54.798 1.00 16.97 C ATOM 452 HB ILE A 28 -32.643 -10.017 55.561 1.00 16.97 H ATOM 453 CG1 ILE A 28 -33.443 -11.718 54.539 1.00 16.97 C ATOM 454 1HG1 ILE A 28 -34.275 -11.939 53.869 1.00 16.97 H ATOM 455 2HG1 ILE A 28 -32.520 -12.019 54.046 1.00 16.97 H ATOM 456 CG2 ILE A 28 -34.757 -9.680 55.325 1.00 16.97 C ATOM 457 1HG2 ILE A 28 -34.953 -10.085 56.319 1.00 16.97 H ATOM 458 2HG2 ILE A 28 -35.569 -9.984 54.659 1.00 16.97 H ATOM 459 3HG2 ILE A 28 -34.749 -8.593 55.391 1.00 16.97 H ATOM 460 CD1 ILE A 28 -33.602 -12.574 55.809 1.00 16.97 C ATOM 461 1HD1 ILE A 28 -33.548 -13.630 55.551 1.00 16.97 H ATOM 462 2HD1 ILE A 28 -34.563 -12.383 56.284 1.00 16.97 H ATOM 463 3HD1 ILE A 28 -32.801 -12.346 56.511 1.00 16.97 H ATOM 464 N GLY A 29 -31.527 -10.316 51.800 1.00 -3.15 N ATOM 465 H GLY A 29 -32.378 -10.590 51.316 1.00 -3.15 H ATOM 466 CA GLY A 29 -30.253 -10.586 51.153 1.00 -3.15 C ATOM 467 1HA GLY A 29 -29.810 -9.648 50.820 1.00 -3.15 H ATOM 468 2HA GLY A 29 -29.582 -11.032 51.875 1.00 -3.15 H ATOM 469 C GLY A 29 -30.369 -11.514 49.961 1.00 -3.15 C ATOM 470 O GLY A 29 -31.356 -11.441 49.233 1.00 -3.15 O ATOM 471 N THR A 30 -29.377 -12.367 49.751 1.00 11.10 N ATOM 472 H THR A 30 -28.595 -12.384 50.409 1.00 11.10 H ATOM 473 CA THR A 30 -29.332 -13.322 48.641 1.00 11.10 C ATOM 474 HA THR A 30 -30.310 -13.419 48.179 1.00 11.10 H ATOM 475 C THR A 30 -28.900 -14.691 49.159 1.00 11.10 C ATOM 476 O THR A 30 -28.337 -14.786 50.250 1.00 11.10 O ATOM 477 CB THR A 30 -28.314 -12.883 47.568 1.00 11.10 C ATOM 478 HB THR A 30 -28.207 -13.668 46.819 1.00 11.10 H ATOM 479 OG1 THR A 30 -27.054 -12.635 48.197 1.00 11.10 O ATOM 480 HG1 THR A 30 -27.197 -11.976 48.885 1.00 11.10 H ATOM 481 CG2 THR A 30 -28.731 -11.596 46.875 1.00 11.10 C ATOM 482 1HG2 THR A 30 -28.007 -11.362 46.095 1.00 11.10 H ATOM 483 2HG2 THR A 30 -28.773 -10.773 47.586 1.00 11.10 H ATOM 484 3HG2 THR A 30 -29.712 -11.733 46.416 1.00 11.10 H ATOM 485 N CYS A 31 -29.133 -15.740 48.383 1.00 16.73 N ATOM 486 H CYS A 31 -29.575 -15.599 47.472 1.00 16.73 H ATOM 487 CA CYS A 31 -28.776 -17.106 48.777 1.00 16.73 C ATOM 488 HA CYS A 31 -28.447 -17.094 49.814 1.00 16.73 H ATOM 489 C CYS A 31 -27.617 -17.663 47.953 1.00 16.73 C ATOM 490 O CYS A 31 -27.734 -18.707 47.319 1.00 16.73 O ATOM 491 CB CYS A 31 -29.986 -18.036 48.706 1.00 16.73 C ATOM 492 1HB CYS A 31 -30.411 -18.000 47.708 1.00 16.73 H ATOM 493 2HB CYS A 31 -29.650 -19.053 48.899 1.00 16.73 H ATOM 494 SG CYS A 31 -31.254 -17.608 49.938 1.00 16.73 S ATOM 495 N LEU A 32 -26.497 -16.954 48.028 1.00 32.20 N ATOM 496 H LEU A 32 -26.523 -16.104 48.576 1.00 32.20 H ATOM 497 CA LEU A 32 -25.195 -17.279 47.420 1.00 32.20 C ATOM 498 HA LEU A 32 -24.516 -16.508 47.771 1.00 32.20 H ATOM 499 C LEU A 32 -25.109 -17.229 45.899 1.00 32.20 C ATOM 500 O LEU A 32 -24.260 -16.513 45.359 1.00 32.20 O ATOM 501 CB LEU A 32 -24.652 -18.623 47.935 1.00 32.20 C ATOM 502 1HB LEU A 32 -24.856 -18.694 48.998 1.00 32.20 H ATOM 503 2HB LEU A 32 -25.207 -19.420 47.442 1.00 32.20 H ATOM 504 CG LEU A 32 -23.155 -18.900 47.724 1.00 32.20 C ATOM 505 HG LEU A 32 -22.915 -18.745 46.674 1.00 32.20 H ATOM 506 CD1 LEU A 32 -22.264 -17.985 48.571 1.00 32.20 C ATOM 507 1HD1 LEU A 32 -21.215 -18.204 48.360 1.00 32.20 H ATOM 508 2HD1 LEU A 32 -22.456 -18.146 49.630 1.00 32.20 H ATOM 509 3HD1 LEU A 32 -22.455 -16.944 48.327 1.00 32.20 H ATOM 510 CD2 LEU A 32 -22.847 -20.352 48.073 1.00 32.20 C ATOM 511 1HD2 LEU A 32 -21.788 -20.554 47.907 1.00 32.20 H ATOM 512 2HD2 LEU A 32 -23.423 -21.016 47.427 1.00 32.20 H ATOM 513 3HD2 LEU A 32 -23.092 -20.558 49.116 1.00 32.20 H ATOM 514 N ALA A 33 -25.979 -17.959 45.226 1.00 13.24 N ATOM 515 H ALA A 33 -26.676 -18.487 45.745 1.00 13.24 H ATOM 516 CA ALA A 33 -26.010 -18.005 43.774 1.00 13.24 C ATOM 517 HA ALA A 33 -25.006 -18.217 43.408 1.00 13.24 H ATOM 518 C ALA A 33 -26.476 -16.643 43.236 1.00 13.24 C ATOM 519 O ALA A 33 -27.201 -15.916 43.932 1.00 13.24 O ATOM 520 CB ALA A 33 -26.957 -19.132 43.333 1.00 13.24 C ATOM 521 1HB ALA A 33 -26.568 -20.094 43.666 1.00 13.24 H ATOM 522 2HB ALA A 33 -27.048 -19.139 42.246 1.00 13.24 H ATOM 523 3HB ALA A 33 -27.943 -18.972 43.769 1.00 13.24 H ATOM 524 N PRO A 34 -26.075 -16.282 42.002 1.00 -9.84 N ATOM 525 CA PRO A 34 -26.631 -15.036 41.459 1.00 -9.84 C ATOM 526 HA PRO A 34 -26.335 -14.190 42.077 1.00 -9.84 H ATOM 527 C PRO A 34 -28.148 -15.100 41.332 1.00 -9.84 C ATOM 528 O PRO A 34 -28.714 -16.179 41.185 1.00 -9.84 O ATOM 529 CB PRO A 34 -25.993 -14.947 40.068 1.00 -9.84 C ATOM 530 1HB PRO A 34 -26.662 -15.383 39.325 1.00 -9.84 H ATOM 531 2HB PRO A 34 -25.759 -13.914 39.812 1.00 -9.84 H ATOM 532 CG PRO A 34 -24.756 -15.761 40.174 1.00 -9.84 C ATOM 533 1HG PRO A 34 -24.418 -16.091 39.191 1.00 -9.84 H ATOM 534 2HG PRO A 34 -23.977 -15.191 40.681 1.00 -9.84 H ATOM 535 CD PRO A 34 -25.182 -16.924 41.019 1.00 -9.84 C ATOM 536 1HD PRO A 34 -25.733 -17.655 40.424 1.00 -9.84 H ATOM 537 2HD PRO A 34 -24.317 -17.380 41.502 1.00 -9.84 H ATOM 538 N GLN A 35 -28.777 -13.931 41.393 1.00 36.56 N ATOM 539 H GLN A 35 -28.212 -13.108 41.508 1.00 36.56 H ATOM 540 CA GLN A 35 -30.232 -13.727 41.321 1.00 36.56 C ATOM 541 HA GLN A 35 -30.378 -12.652 41.380 1.00 36.56 H ATOM 542 C GLN A 35 -31.085 -14.310 42.458 1.00 36.56 C ATOM 543 O GLN A 35 -32.067 -13.679 42.827 1.00 36.56 O ATOM 544 CB GLN A 35 -30.783 -14.161 39.949 1.00 36.56 C ATOM 545 1HB GLN A 35 -30.078 -13.840 39.181 1.00 36.56 H ATOM 546 2HB GLN A 35 -30.828 -15.249 39.928 1.00 36.56 H ATOM 547 CG GLN A 35 -32.173 -13.623 39.570 1.00 36.56 C ATOM 548 1HG GLN A 35 -32.525 -14.173 38.698 1.00 36.56 H ATOM 549 2HG GLN A 35 -32.870 -13.807 40.383 1.00 36.56 H ATOM 550 CD GLN A 35 -32.189 -12.142 39.238 1.00 36.56 C ATOM 551 OE1 GLN A 35 -32.000 -11.279 40.091 1.00 36.56 O ATOM 552 NE2 GLN A 35 -32.429 -11.829 37.993 1.00 36.56 N ATOM 553 1HE2 GLN A 35 -32.455 -10.857 37.737 1.00 36.56 H ATOM 554 2HE2 GLN A 35 -32.580 -12.552 37.310 1.00 36.56 H ATOM 555 N ILE A 36 -30.720 -15.436 43.054 1.00 27.00 N ATOM 556 H ILE A 36 -29.881 -15.916 42.740 1.00 27.00 H ATOM 557 CA ILE A 36 -31.532 -16.034 44.117 1.00 27.00 C ATOM 558 HA ILE A 36 -32.551 -16.117 43.742 1.00 27.00 H ATOM 559 C ILE A 36 -31.536 -15.114 45.341 1.00 27.00 C ATOM 560 O ILE A 36 -30.489 -14.805 45.923 1.00 27.00 O ATOM 561 CB ILE A 36 -31.032 -17.451 44.537 1.00 27.00 C ATOM 562 HB ILE A 36 -30.085 -17.333 45.065 1.00 27.00 H ATOM 563 CG1 ILE A 36 -30.756 -18.359 43.317 1.00 27.00 C ATOM 564 1HG1 ILE A 36 -29.949 -17.919 42.735 1.00 27.00 H ATOM 565 2HG1 ILE A 36 -30.387 -19.312 43.696 1.00 27.00 H ATOM 566 CG2 ILE A 36 -32.047 -18.124 45.499 1.00 27.00 C ATOM 567 1HG2 ILE A 36 -31.685 -19.114 45.782 1.00 27.00 H ATOM 568 2HG2 ILE A 36 -33.021 -18.223 45.020 1.00 27.00 H ATOM 569 3HG2 ILE A 36 -32.166 -17.523 46.401 1.00 27.00 H ATOM 570 CD1 ILE A 36 -31.916 -18.663 42.355 1.00 27.00 C ATOM 571 1HD1 ILE A 36 -31.553 -19.302 41.550 1.00 27.00 H ATOM 572 2HD1 ILE A 36 -32.296 -17.739 41.917 1.00 27.00 H ATOM 573 3HD1 ILE A 36 -32.718 -19.181 42.878 1.00 27.00 H ATOM 574 N LYS A 37 -32.715 -14.654 45.727 1.00 -3.88 N ATOM 575 H LYS A 37 -33.552 -15.020 45.272 1.00 -3.88 H ATOM 576 CA LYS A 37 -32.875 -13.681 46.806 1.00 -3.88 C ATOM 577 HA LYS A 37 -31.975 -13.076 46.895 1.00 -3.88 H ATOM 578 C LYS A 37 -33.125 -14.449 48.085 1.00 -3.88 C ATOM 579 O LYS A 37 -33.577 -15.582 48.035 1.00 -3.88 O ATOM 580 CB LYS A 37 -34.093 -12.778 46.561 1.00 -3.88 C ATOM 581 1HB LYS A 37 -34.985 -13.371 46.743 1.00 -3.88 H ATOM 582 2HB LYS A 37 -34.077 -11.972 47.292 1.00 -3.88 H ATOM 583 CG LYS A 37 -34.237 -12.174 45.168 1.00 -3.88 C ATOM 584 1HG LYS A 37 -34.360 -12.980 44.445 1.00 -3.88 H ATOM 585 2HG LYS A 37 -35.142 -11.568 45.149 1.00 -3.88 H ATOM 586 CD LYS A 37 -33.060 -11.307 44.741 1.00 -3.88 C ATOM 587 1HD LYS A 37 -32.923 -10.486 45.435 1.00 -3.88 H ATOM 588 2HD LYS A 37 -32.155 -11.912 44.719 1.00 -3.88 H ATOM 589 CE LYS A 37 -33.331 -10.779 43.346 1.00 -3.88 C ATOM 590 1HE LYS A 37 -33.601 -11.632 42.717 1.00 -3.88 H ATOM 591 2HE LYS A 37 -34.182 -10.096 43.371 1.00 -3.88 H ATOM 592 NZ LYS A 37 -32.160 -10.114 42.723 1.00 -3.88 N ATOM 593 1HZ LYS A 37 -32.337 -9.996 41.729 1.00 -3.88 H ATOM 594 2HZ LYS A 37 -31.353 -10.711 42.818 1.00 -3.88 H ATOM 595 3HZ LYS A 37 -31.991 -9.220 43.158 1.00 -3.88 H ATOM 596 N CYS A 38 -32.931 -13.797 49.215 1.00-22.10 N ATOM 597 H CYS A 38 -32.524 -12.865 49.182 1.00-22.10 H ATOM 598 CA CYS A 38 -33.395 -14.282 50.505 1.00-22.10 C ATOM 599 HA CYS A 38 -33.916 -15.233 50.405 1.00-22.10 H ATOM 600 C CYS A 38 -34.367 -13.196 50.948 1.00-22.10 C ATOM 601 O CYS A 38 -33.961 -12.034 51.079 1.00-22.10 O ATOM 602 CB CYS A 38 -32.242 -14.410 51.504 1.00-22.10 C ATOM 603 1HB CYS A 38 -31.510 -15.120 51.125 1.00-22.10 H ATOM 604 2HB CYS A 38 -31.761 -13.437 51.599 1.00-22.10 H ATOM 605 SG CYS A 38 -32.792 -14.933 53.159 1.00-22.10 S ATOM 606 N CYS A 39 -35.633 -13.538 51.126 1.00-14.35 N ATOM 607 H CYS A 39 -35.912 -14.513 51.009 1.00-14.35 H ATOM 608 CA CYS A 39 -36.658 -12.569 51.511 1.00-14.35 C ATOM 609 HA CYS A 39 -36.193 -11.617 51.746 1.00-14.35 H ATOM 610 C CYS A 39 -37.390 -13.083 52.738 1.00-14.35 C ATOM 611 O CYS A 39 -37.501 -14.293 52.899 1.00-14.35 O ATOM 612 CB CYS A 39 -37.670 -12.371 50.382 1.00-14.35 C ATOM 613 1HB CYS A 39 -38.174 -13.321 50.204 1.00-14.35 H ATOM 614 2HB CYS A 39 -38.414 -11.646 50.712 1.00-14.35 H ATOM 615 SG CYS A 39 -36.953 -11.800 48.809 1.00-14.35 S ATOM 616 N ARG A 40 -37.914 -12.203 53.578 1.00 0.88 N ATOM 617 H ARG A 40 -37.825 -11.202 53.395 1.00 0.88 H ATOM 618 CA ARG A 40 -38.653 -12.608 54.774 1.00 0.88 C ATOM 619 HA ARG A 40 -39.021 -13.626 54.663 1.00 0.88 H ATOM 620 C ARG A 40 -39.846 -11.692 54.939 1.00 0.88 C ATOM 621 O ARG A 40 -39.666 -10.490 54.659 1.00 0.88 O ATOM 622 OXT ARG A 40 -40.942 -12.157 55.288 1.00 0.88 O ATOM 623 CB ARG A 40 -37.748 -12.529 56.006 1.00 0.88 C ATOM 624 1HB ARG A 40 -36.837 -13.088 55.804 1.00 0.88 H ATOM 625 2HB ARG A 40 -37.485 -11.487 56.185 1.00 0.88 H ATOM 626 CG ARG A 40 -38.405 -13.097 57.251 1.00 0.88 C ATOM 627 1HG ARG A 40 -39.295 -12.510 57.477 1.00 0.88 H ATOM 628 2HG ARG A 40 -38.704 -14.128 57.061 1.00 0.88 H ATOM 629 CD ARG A 40 -37.487 -13.062 58.458 1.00 0.88 C ATOM 630 1HD ARG A 40 -36.618 -13.693 58.274 1.00 0.88 H ATOM 631 2HD ARG A 40 -37.161 -12.036 58.629 1.00 0.88 H ATOM 632 NE ARG A 40 -38.220 -13.543 59.636 1.00 0.88 N ATOM 633 HE ARG A 40 -39.151 -13.879 59.462 1.00 0.88 H ATOM 634 CZ ARG A 40 -37.779 -13.561 60.884 1.00 0.88 C ATOM 635 NH1 ARG A 40 -38.629 -13.817 61.838 1.00 0.88 N ATOM 636 1HH1 ARG A 40 -39.590 -14.009 61.611 1.00 0.88 H ATOM 637 2HH1 ARG A 40 -38.328 -13.810 62.796 1.00 0.88 H ATOM 638 NH2 ARG A 40 -36.541 -13.326 61.224 1.00 0.88 N ATOM 639 1HH2 ARG A 40 -35.829 -13.315 60.494 1.00 0.88 H ATOM 640 2HH2 ARG A 40 -36.278 -13.209 62.184 1.00 0.88 H TER 641 ARG A 40 CONECT 140 137 605 CONECT 258 255 494 CONECT 341 338 615 CONECT 494 258 491 CONECT 605 140 602 CONECT 615 341 612 END
SEQUENCE	QGVRNFVTCRINRGFCVPIRCPGHRRQIGTCLAPQIKCCR
HELICITY	25.00	INSTAB. INDEX	41.91	FLEXIBILITY	11.54
a HYD. MOM.	55.60	b HYD. MOM.	28.77	c HYD. MOM	4.17
a MEAN HYD. MOM.	1.39	b MEAN HYD. MOM.	0.72	c MEAN HYD. MOM.	0.10
CHARGE pH5	8.91	CHARGE pH7	7.82	CHARGE pH9	2.85
Δ CHARGE pH5-pH9	6.05	ISOELECTRIC POINT	10.66	BOMAN INDEX	2.34
ΔG	17	CPP	-0,14	MLP	-4,80
MOLECULAR VOLUME		POLARITY
MIC E. coli	40	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus	40	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