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ID	2400	NAME	Beta-defensin 6_1   Blast NCBI-PROT
LENGTH	41	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\QLINSPVTCMSYGGSCQRSCNGGFRLGGHCGHPKIRCCRRK.pdb REMARK YASARA Written on: Wed May 14 19:24:48 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 608 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 41 GLN LEU ILE ASN SER PRO VAL THR CYS MET SER TYR GLY SEQRES 2 A 41 GLY SER CYS GLN ARG SER CYS ASN GLY GLY PHE ARG LEU SEQRES 3 A 41 GLY GLY HIS CYS GLY HIS PRO LYS ILE ARG CYS CYS ARG SEQRES 4 A 41 ARG LYS 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 37 2.03 SSBOND 3 CYS A 16 CYS A 30 2.03 SSBOND 5 CYS A 20 CYS A 38 2.03 ATOM 1 N GLN A 1 -26.877 -16.805 50.610 1.00 -9.63 N ATOM 2 1H GLN A 1 -27.385 -16.116 51.144 1.00 -9.63 H ATOM 3 2H GLN A 1 -27.477 -17.606 50.448 1.00 -9.63 H ATOM 4 3H GLN A 1 -26.601 -16.415 49.721 1.00 -9.63 H ATOM 5 CA GLN A 1 -25.673 -17.244 51.365 1.00 -9.63 C ATOM 6 HA GLN A 1 -25.027 -16.385 51.537 1.00 -9.63 H ATOM 7 C GLN A 1 -24.924 -18.288 50.555 1.00 -9.63 C ATOM 8 O GLN A 1 -25.556 -19.000 49.785 1.00 -9.63 O ATOM 9 CB GLN A 1 -26.119 -17.821 52.715 1.00 -9.63 C ATOM 10 1HB GLN A 1 -26.816 -17.116 53.166 1.00 -9.63 H ATOM 11 2HB GLN A 1 -26.649 -18.757 52.539 1.00 -9.63 H ATOM 12 CG GLN A 1 -24.991 -18.074 53.712 1.00 -9.63 C ATOM 13 1HG GLN A 1 -24.302 -18.804 53.301 1.00 -9.63 H ATOM 14 2HG GLN A 1 -24.453 -17.144 53.890 1.00 -9.63 H ATOM 15 CD GLN A 1 -25.503 -18.593 55.030 1.00 -9.63 C ATOM 16 OE1 GLN A 1 -26.289 -17.941 55.694 1.00 -9.63 O ATOM 17 NE2 GLN A 1 -25.076 -19.763 55.413 1.00 -9.63 N ATOM 18 1HE2 GLN A 1 -25.403 -20.131 56.290 1.00 -9.63 H ATOM 19 2HE2 GLN A 1 -24.436 -20.287 54.836 1.00 -9.63 H ATOM 20 N LEU A 2 -23.605 -18.383 50.679 1.00 -4.02 N ATOM 21 H LEU A 2 -23.084 -17.746 51.262 1.00 -4.02 H ATOM 22 CA LEU A 2 -22.886 -19.508 50.087 1.00 -4.02 C ATOM 23 HA LEU A 2 -23.204 -19.654 49.055 1.00 -4.02 H ATOM 24 C LEU A 2 -23.255 -20.734 50.916 1.00 -4.02 C ATOM 25 O LEU A 2 -23.156 -20.705 52.140 1.00 -4.02 O ATOM 26 CB LEU A 2 -21.371 -19.279 50.143 1.00 -4.02 C ATOM 27 1HB LEU A 2 -21.144 -18.365 49.595 1.00 -4.02 H ATOM 28 2HB LEU A 2 -21.097 -19.121 51.187 1.00 -4.02 H ATOM 29 CG LEU A 2 -20.475 -20.406 49.597 1.00 -4.02 C ATOM 30 HG LEU A 2 -20.681 -21.316 50.158 1.00 -4.02 H ATOM 31 CD1 LEU A 2 -20.712 -20.694 48.113 1.00 -4.02 C ATOM 32 1HD1 LEU A 2 -20.005 -21.451 47.770 1.00 -4.02 H ATOM 33 2HD1 LEU A 2 -20.573 -19.788 47.521 1.00 -4.02 H ATOM 34 3HD1 LEU A 2 -21.717 -21.083 47.956 1.00 -4.02 H ATOM 35 CD2 LEU A 2 -19.013 -20.034 49.816 1.00 -4.02 C ATOM 36 1HD2 LEU A 2 -18.373 -20.849 49.474 1.00 -4.02 H ATOM 37 2HD2 LEU A 2 -18.823 -19.874 50.878 1.00 -4.02 H ATOM 38 3HD2 LEU A 2 -18.760 -19.128 49.262 1.00 -4.02 H ATOM 39 N ILE A 3 -23.721 -21.779 50.255 1.00 16.45 N ATOM 40 H ILE A 3 -23.801 -21.751 49.247 1.00 16.45 H ATOM 41 CA ILE A 3 -24.126 -23.025 50.893 1.00 16.45 C ATOM 42 HA ILE A 3 -23.726 -23.106 51.903 1.00 16.45 H ATOM 43 C ILE A 3 -23.433 -24.004 49.955 1.00 16.45 C ATOM 44 O ILE A 3 -23.484 -23.813 48.743 1.00 16.45 O ATOM 45 CB ILE A 3 -25.673 -23.170 50.910 1.00 16.45 C ATOM 46 HB ILE A 3 -26.032 -23.026 49.899 1.00 16.45 H ATOM 47 CG1 ILE A 3 -26.307 -22.075 51.791 1.00 16.45 C ATOM 48 1HG1 ILE A 3 -26.076 -22.284 52.836 1.00 16.45 H ATOM 49 2HG1 ILE A 3 -25.866 -21.115 51.537 1.00 16.45 H ATOM 50 CG2 ILE A 3 -26.096 -24.567 51.378 1.00 16.45 C ATOM 51 1HG2 ILE A 3 -27.177 -24.661 51.317 1.00 16.45 H ATOM 52 2HG2 ILE A 3 -25.781 -24.736 52.409 1.00 16.45 H ATOM 53 3HG2 ILE A 3 -25.663 -25.331 50.732 1.00 16.45 H ATOM 54 CD1 ILE A 3 -27.809 -21.924 51.640 1.00 16.45 C ATOM 55 1HD1 ILE A 3 -28.128 -21.021 52.159 1.00 16.45 H ATOM 56 2HD1 ILE A 3 -28.319 -22.783 52.077 1.00 16.45 H ATOM 57 3HD1 ILE A 3 -28.072 -21.837 50.587 1.00 16.45 H ATOM 58 N ASN A 4 -22.687 -24.957 50.496 1.00 20.25 N ATOM 59 H ASN A 4 -22.701 -25.103 51.495 1.00 20.25 H ATOM 60 CA ASN A 4 -21.757 -25.748 49.685 1.00 20.25 C ATOM 61 HA ASN A 4 -21.505 -25.165 48.798 1.00 20.25 H ATOM 62 C ASN A 4 -22.251 -27.114 49.217 1.00 20.25 C ATOM 63 O ASN A 4 -21.537 -27.799 48.493 1.00 20.25 O ATOM 64 CB ASN A 4 -20.460 -25.987 50.467 1.00 20.25 C ATOM 65 1HB ASN A 4 -19.687 -26.293 49.762 1.00 20.25 H ATOM 66 2HB ASN A 4 -20.144 -25.061 50.946 1.00 20.25 H ATOM 67 CG ASN A 4 -20.598 -27.077 51.505 1.00 20.25 C ATOM 68 OD1 ASN A 4 -21.602 -27.172 52.201 1.00 20.25 O ATOM 69 ND2 ASN A 4 -19.607 -27.915 51.611 1.00 20.25 N ATOM 70 1HD2 ASN A 4 -19.660 -28.643 52.302 1.00 20.25 H ATOM 71 2HD2 ASN A 4 -18.809 -27.832 51.002 1.00 20.25 H ATOM 72 N SER A 5 -23.410 -27.561 49.677 1.00 7.90 N ATOM 73 H SER A 5 -23.979 -26.990 50.290 1.00 7.90 H ATOM 74 CA SER A 5 -23.889 -28.900 49.343 1.00 7.90 C ATOM 75 HA SER A 5 -23.643 -29.130 48.305 1.00 7.90 H ATOM 76 C SER A 5 -25.398 -28.969 49.540 1.00 7.90 C ATOM 77 O SER A 5 -25.962 -28.122 50.247 1.00 7.90 O ATOM 78 CB SER A 5 -23.214 -29.923 50.268 1.00 7.90 C ATOM 79 1HB SER A 5 -23.511 -30.930 49.978 1.00 7.90 H ATOM 80 2HB SER A 5 -22.132 -29.836 50.172 1.00 7.90 H ATOM 81 OG SER A 5 -23.582 -29.701 51.617 1.00 7.90 O ATOM 82 HG SER A 5 -23.101 -28.919 51.927 1.00 7.90 H ATOM 83 N PRO A 6 -26.069 -30.004 49.000 1.00 -3.36 N ATOM 84 CA PRO A 6 -27.478 -30.101 49.398 1.00 -3.36 C ATOM 85 HA PRO A 6 -27.994 -29.160 49.209 1.00 -3.36 H ATOM 86 C PRO A 6 -27.666 -30.486 50.866 1.00 -3.36 C ATOM 87 O PRO A 6 -28.702 -30.205 51.448 1.00 -3.36 O ATOM 88 CB PRO A 6 -28.019 -31.185 48.461 1.00 -3.36 C ATOM 89 1HB PRO A 6 -28.837 -31.735 48.928 1.00 -3.36 H ATOM 90 2HB PRO A 6 -28.346 -30.740 47.522 1.00 -3.36 H ATOM 91 CG PRO A 6 -26.852 -32.061 48.211 1.00 -3.36 C ATOM 92 1HG PRO A 6 -26.686 -32.719 49.065 1.00 -3.36 H ATOM 93 2HG PRO A 6 -26.989 -32.643 47.300 1.00 -3.36 H ATOM 94 CD PRO A 6 -25.709 -31.087 48.063 1.00 -3.36 C ATOM 95 1HD PRO A 6 -24.767 -31.561 48.336 1.00 -3.36 H ATOM 96 2HD PRO A 6 -25.666 -30.700 47.043 1.00 -3.36 H ATOM 97 N VAL A 7 -26.664 -31.092 51.490 1.00 -9.48 N ATOM 98 H VAL A 7 -25.815 -31.305 50.992 1.00 -9.48 H ATOM 99 CA VAL A 7 -26.760 -31.475 52.899 1.00 -9.48 C ATOM 100 HA VAL A 7 -27.685 -32.028 53.050 1.00 -9.48 H ATOM 101 C VAL A 7 -26.806 -30.220 53.763 1.00 -9.48 C ATOM 102 O VAL A 7 -27.636 -30.091 54.672 1.00 -9.48 O ATOM 103 CB VAL A 7 -25.561 -32.378 53.310 1.00 -9.48 C ATOM 104 HB VAL A 7 -24.639 -31.814 53.175 1.00 -9.48 H ATOM 105 CG1 VAL A 7 -25.660 -32.813 54.778 1.00 -9.48 C ATOM 106 1HG1 VAL A 7 -24.821 -33.466 55.028 1.00 -9.48 H ATOM 107 2HG1 VAL A 7 -26.594 -33.350 54.953 1.00 -9.48 H ATOM 108 3HG1 VAL A 7 -25.621 -31.943 55.434 1.00 -9.48 H ATOM 109 CG2 VAL A 7 -25.497 -33.624 52.407 1.00 -9.48 C ATOM 110 1HG2 VAL A 7 -24.691 -34.279 52.744 1.00 -9.48 H ATOM 111 2HG2 VAL A 7 -25.292 -33.344 51.376 1.00 -9.48 H ATOM 112 3HG2 VAL A 7 -26.439 -34.174 52.453 1.00 -9.48 H ATOM 113 N THR A 8 -25.955 -29.254 53.452 1.00 2.55 N ATOM 114 H THR A 8 -25.284 -29.364 52.701 1.00 2.55 H ATOM 115 CA THR A 8 -25.982 -28.000 54.191 1.00 2.55 C ATOM 116 HA THR A 8 -26.084 -28.232 55.247 1.00 2.55 H ATOM 117 C THR A 8 -27.213 -27.192 53.813 1.00 2.55 C ATOM 118 O THR A 8 -27.740 -26.491 54.657 1.00 2.55 O ATOM 119 CB THR A 8 -24.684 -27.192 54.040 1.00 2.55 C ATOM 120 HB THR A 8 -24.818 -26.195 54.460 1.00 2.55 H ATOM 121 OG1 THR A 8 -24.308 -27.107 52.664 1.00 2.55 O ATOM 122 HG1 THR A 8 -23.341 -27.023 52.640 1.00 2.55 H ATOM 123 CG2 THR A 8 -23.541 -27.886 54.763 1.00 2.55 C ATOM 124 1HG2 THR A 8 -22.643 -27.273 54.692 1.00 2.55 H ATOM 125 2HG2 THR A 8 -23.343 -28.862 54.320 1.00 2.55 H ATOM 126 3HG2 THR A 8 -23.792 -28.011 55.818 1.00 2.55 H ATOM 127 N CYS A 9 -27.751 -27.347 52.611 1.00 -9.96 N ATOM 128 H CYS A 9 -27.274 -27.900 51.910 1.00 -9.96 H ATOM 129 CA CYS A 9 -29.028 -26.707 52.288 1.00 -9.96 C ATOM 130 HA CYS A 9 -28.938 -25.638 52.485 1.00 -9.96 H ATOM 131 C CYS A 9 -30.169 -27.240 53.153 1.00 -9.96 C ATOM 132 O CYS A 9 -30.959 -26.463 53.685 1.00 -9.96 O ATOM 133 CB CYS A 9 -29.394 -26.899 50.814 1.00 -9.96 C ATOM 134 1HB CYS A 9 -28.598 -26.494 50.190 1.00 -9.96 H ATOM 135 2HB CYS A 9 -29.483 -27.965 50.613 1.00 -9.96 H ATOM 136 SG CYS A 9 -30.977 -26.113 50.363 1.00 -9.96 S ATOM 137 N MET A 10 -30.264 -28.549 53.332 1.00 -3.15 N ATOM 138 H MET A 10 -29.600 -29.177 52.886 1.00 -3.15 H ATOM 139 CA MET A 10 -31.352 -29.109 54.135 1.00 -3.15 C ATOM 140 HA MET A 10 -32.295 -28.727 53.751 1.00 -3.15 H ATOM 141 C MET A 10 -31.265 -28.685 55.597 1.00 -3.15 C ATOM 142 O MET A 10 -32.279 -28.353 56.205 1.00 -3.15 O ATOM 143 CB MET A 10 -31.380 -30.635 54.028 1.00 -3.15 C ATOM 144 1HB MET A 10 -30.399 -31.025 54.296 1.00 -3.15 H ATOM 145 2HB MET A 10 -32.113 -31.015 54.740 1.00 -3.15 H ATOM 146 CG MET A 10 -31.770 -31.130 52.638 1.00 -3.15 C ATOM 147 1HG MET A 10 -32.750 -30.721 52.392 1.00 -3.15 H ATOM 148 2HG MET A 10 -31.054 -30.761 51.908 1.00 -3.15 H ATOM 149 SD MET A 10 -31.854 -32.933 52.515 1.00 -3.15 S ATOM 150 CE MET A 10 -30.124 -33.413 52.546 1.00 -3.15 C ATOM 151 1HE MET A 10 -30.047 -34.492 52.405 1.00 -3.15 H ATOM 152 2HE MET A 10 -29.688 -33.145 53.508 1.00 -3.15 H ATOM 153 3HE MET A 10 -29.590 -32.902 51.746 1.00 -3.15 H ATOM 154 N SER A 11 -30.065 -28.627 56.156 1.00-14.39 N ATOM 155 H SER A 11 -29.245 -28.904 55.629 1.00-14.39 H ATOM 156 CA SER A 11 -29.912 -28.176 57.542 1.00-14.39 C ATOM 157 HA SER A 11 -30.677 -28.660 58.150 1.00-14.39 H ATOM 158 C SER A 11 -30.110 -26.663 57.689 1.00-14.39 C ATOM 159 O SER A 11 -30.703 -26.198 58.671 1.00-14.39 O ATOM 160 CB SER A 11 -28.548 -28.602 58.079 1.00-14.39 C ATOM 161 1HB SER A 11 -28.312 -28.026 58.975 1.00-14.39 H ATOM 162 2HB SER A 11 -28.584 -29.661 58.336 1.00-14.39 H ATOM 163 OG SER A 11 -27.543 -28.416 57.100 1.00-14.39 O ATOM 164 HG SER A 11 -27.528 -29.188 56.519 1.00-14.39 H ATOM 165 N TYR A 12 -29.692 -25.894 56.689 1.00 3.99 N ATOM 166 H TYR A 12 -29.146 -26.309 55.934 1.00 3.99 H ATOM 167 CA TYR A 12 -29.967 -24.456 56.630 1.00 3.99 C ATOM 168 HA TYR A 12 -29.565 -23.976 57.521 1.00 3.99 H ATOM 169 C TYR A 12 -31.475 -24.242 56.595 1.00 3.99 C ATOM 170 O TYR A 12 -32.000 -23.338 57.243 1.00 3.99 O ATOM 171 CB TYR A 12 -29.302 -23.847 55.391 1.00 3.99 C ATOM 172 1HB TYR A 12 -28.261 -24.162 55.384 1.00 3.99 H ATOM 173 2HB TYR A 12 -29.782 -24.236 54.495 1.00 3.99 H ATOM 174 CG TYR A 12 -29.307 -22.338 55.329 1.00 3.99 C ATOM 175 CD1 TYR A 12 -28.571 -21.580 56.261 1.00 3.99 C ATOM 176 HD1 TYR A 12 -28.045 -22.078 57.064 1.00 3.99 H ATOM 177 CD2 TYR A 12 -29.990 -21.659 54.300 1.00 3.99 C ATOM 178 HD2 TYR A 12 -30.568 -22.220 53.578 1.00 3.99 H ATOM 179 CE1 TYR A 12 -28.497 -20.169 56.153 1.00 3.99 C ATOM 180 HE1 TYR A 12 -27.930 -19.598 56.874 1.00 3.99 H ATOM 181 CE2 TYR A 12 -29.895 -20.242 54.177 1.00 3.99 C ATOM 182 HE2 TYR A 12 -30.385 -19.727 53.366 1.00 3.99 H ATOM 183 CZ TYR A 12 -29.144 -19.518 55.101 1.00 3.99 C ATOM 184 OH TYR A 12 -29.029 -18.160 54.967 1.00 3.99 O ATOM 185 HH TYR A 12 -28.329 -17.808 55.533 1.00 3.99 H ATOM 186 N GLY A 13 -32.175 -25.154 55.935 1.00 1.69 N ATOM 187 H GLY A 13 -31.678 -25.846 55.380 1.00 1.69 H ATOM 188 CA GLY A 13 -33.623 -25.239 56.026 1.00 1.69 C ATOM 189 1HA GLY A 13 -33.877 -26.113 56.625 1.00 1.69 H ATOM 190 2HA GLY A 13 -33.997 -24.355 56.532 1.00 1.69 H ATOM 191 C GLY A 13 -34.372 -25.344 54.721 1.00 1.69 C ATOM 192 O GLY A 13 -35.459 -24.774 54.622 1.00 1.69 O ATOM 193 N GLY A 14 -33.800 -25.991 53.718 1.00 6.33 N ATOM 194 H GLY A 14 -32.901 -26.449 53.840 1.00 6.33 H ATOM 195 CA GLY A 14 -34.409 -26.034 52.402 1.00 6.33 C ATOM 196 1HA GLY A 14 -35.462 -25.774 52.487 1.00 6.33 H ATOM 197 2HA GLY A 14 -33.931 -25.260 51.804 1.00 6.33 H ATOM 198 C GLY A 14 -34.344 -27.309 51.595 1.00 6.33 C ATOM 199 O GLY A 14 -34.014 -28.386 52.079 1.00 6.33 O ATOM 200 N SER A 15 -34.687 -27.153 50.328 1.00-16.64 N ATOM 201 H SER A 15 -34.938 -26.222 50.001 1.00-16.64 H ATOM 202 CA SER A 15 -34.706 -28.228 49.346 1.00-16.64 C ATOM 203 HA SER A 15 -34.177 -29.104 49.722 1.00-16.64 H ATOM 204 C SER A 15 -33.992 -27.674 48.124 1.00-16.64 C ATOM 205 O SER A 15 -33.826 -26.461 48.027 1.00-16.64 O ATOM 206 CB SER A 15 -36.155 -28.588 49.015 1.00-16.64 C ATOM 207 1HB SER A 15 -36.640 -27.728 48.549 1.00-16.64 H ATOM 208 2HB SER A 15 -36.173 -29.430 48.322 1.00-16.64 H ATOM 209 OG SER A 15 -36.856 -28.922 50.202 1.00-16.64 O ATOM 210 HG SER A 15 -36.254 -29.390 50.791 1.00-16.64 H ATOM 211 N CYS A 16 -33.570 -28.520 47.199 1.00-18.30 N ATOM 212 H CYS A 16 -33.767 -29.505 47.281 1.00-18.30 H ATOM 213 CA CYS A 16 -32.824 -28.062 46.030 1.00-18.30 C ATOM 214 HA CYS A 16 -32.507 -27.034 46.178 1.00-18.30 H ATOM 215 C CYS A 16 -33.697 -28.119 44.784 1.00-18.30 C ATOM 216 O CYS A 16 -34.270 -29.161 44.479 1.00-18.30 O ATOM 217 CB CYS A 16 -31.580 -28.931 45.868 1.00-18.30 C ATOM 218 1HB CYS A 16 -31.887 -29.970 45.744 1.00-18.30 H ATOM 219 2HB CYS A 16 -31.032 -28.619 44.984 1.00-18.30 H ATOM 220 SG CYS A 16 -30.500 -28.788 47.324 1.00-18.30 S ATOM 221 N GLN A 17 -33.816 -27.005 44.077 1.00 9.35 N ATOM 222 H GLN A 17 -33.301 -26.167 44.352 1.00 9.35 H ATOM 223 CA GLN A 17 -34.681 -26.913 42.902 1.00 9.35 C ATOM 224 HA GLN A 17 -34.740 -27.881 42.404 1.00 9.35 H ATOM 225 C GLN A 17 -34.014 -25.875 42.002 1.00 9.35 C ATOM 226 O GLN A 17 -33.296 -25.037 42.518 1.00 9.35 O ATOM 227 CB GLN A 17 -36.072 -26.456 43.354 1.00 9.35 C ATOM 228 1HB GLN A 17 -36.249 -26.854 44.354 1.00 9.35 H ATOM 229 2HB GLN A 17 -36.075 -25.370 43.416 1.00 9.35 H ATOM 230 CG GLN A 17 -37.222 -26.909 42.468 1.00 9.35 C ATOM 231 1HG GLN A 17 -37.035 -26.578 41.448 1.00 9.35 H ATOM 232 2HG GLN A 17 -37.272 -27.997 42.478 1.00 9.35 H ATOM 233 CD GLN A 17 -38.561 -26.349 42.923 1.00 9.35 C ATOM 234 OE1 GLN A 17 -38.737 -25.929 44.063 1.00 9.35 O ATOM 235 NE2 GLN A 17 -39.518 -26.350 42.033 1.00 9.35 N ATOM 236 1HE2 GLN A 17 -40.439 -26.016 42.302 1.00 9.35 H ATOM 237 2HE2 GLN A 17 -39.345 -26.665 41.099 1.00 9.35 H ATOM 238 N ARG A 18 -34.164 -25.909 40.683 1.00 15.12 N ATOM 239 H ARG A 18 -34.755 -26.607 40.258 1.00 15.12 H ATOM 240 CA ARG A 18 -33.442 -24.934 39.845 1.00 15.12 C ATOM 241 HA ARG A 18 -32.405 -24.904 40.174 1.00 15.12 H ATOM 242 C ARG A 18 -33.986 -23.516 40.024 1.00 15.12 C ATOM 243 O ARG A 18 -33.231 -22.555 40.107 1.00 15.12 O ATOM 244 CB ARG A 18 -33.460 -25.353 38.373 1.00 15.12 C ATOM 245 1HB ARG A 18 -33.120 -26.386 38.315 1.00 15.12 H ATOM 246 2HB ARG A 18 -34.481 -25.302 37.995 1.00 15.12 H ATOM 247 CG ARG A 18 -32.558 -24.484 37.490 1.00 15.12 C ATOM 248 1HG ARG A 18 -32.985 -23.483 37.428 1.00 15.12 H ATOM 249 2HG ARG A 18 -31.571 -24.413 37.947 1.00 15.12 H ATOM 250 CD ARG A 18 -32.402 -25.041 36.080 1.00 15.12 C ATOM 251 1HD ARG A 18 -33.392 -25.225 35.659 1.00 15.12 H ATOM 252 2HD ARG A 18 -31.894 -24.294 35.468 1.00 15.12 H ATOM 253 NE ARG A 18 -31.612 -26.285 36.062 1.00 15.12 N ATOM 254 HE ARG A 18 -31.263 -26.602 36.951 1.00 15.12 H ATOM 255 CZ ARG A 18 -31.307 -27.012 34.995 1.00 15.12 C ATOM 256 NH1 ARG A 18 -30.578 -28.082 35.153 1.00 15.12 N ATOM 257 1HH1 ARG A 18 -30.262 -28.353 36.069 1.00 15.12 H ATOM 258 2HH1 ARG A 18 -30.322 -28.641 34.356 1.00 15.12 H ATOM 259 NH2 ARG A 18 -31.692 -26.711 33.779 1.00 15.12 N ATOM 260 1HH2 ARG A 18 -32.251 -25.889 33.624 1.00 15.12 H ATOM 261 2HH2 ARG A 18 -31.425 -27.292 33.003 1.00 15.12 H ATOM 262 N SER A 19 -35.297 -23.421 40.149 1.00 6.68 N ATOM 263 H SER A 19 -35.871 -24.248 40.104 1.00 6.68 H ATOM 264 CA SER A 19 -35.987 -22.182 40.486 1.00 6.68 C ATOM 265 HA SER A 19 -35.304 -21.455 40.924 1.00 6.68 H ATOM 266 C SER A 19 -36.950 -22.722 41.520 1.00 6.68 C ATOM 267 O SER A 19 -37.293 -23.899 41.425 1.00 6.68 O ATOM 268 CB SER A 19 -36.729 -21.599 39.283 1.00 6.68 C ATOM 269 1HB SER A 19 -37.427 -22.344 38.899 1.00 6.68 H ATOM 270 2HB SER A 19 -37.286 -20.715 39.596 1.00 6.68 H ATOM 271 OG SER A 19 -35.812 -21.249 38.259 1.00 6.68 O ATOM 272 HG SER A 19 -36.297 -20.822 37.547 1.00 6.68 H ATOM 273 N CYS A 20 -37.311 -21.939 42.521 1.00 -5.27 N ATOM 274 H CYS A 20 -37.051 -20.969 42.533 1.00 -5.27 H ATOM 275 CA CYS A 20 -38.052 -22.473 43.657 1.00 -5.27 C ATOM 276 HA CYS A 20 -37.738 -23.502 43.825 1.00 -5.27 H ATOM 277 C CYS A 20 -39.563 -22.461 43.483 1.00 -5.27 C ATOM 278 O CYS A 20 -40.119 -21.608 42.793 1.00 -5.27 O ATOM 279 CB CYS A 20 -37.699 -21.654 44.897 1.00 -5.27 C ATOM 280 1HB CYS A 20 -38.051 -20.632 44.759 1.00 -5.27 H ATOM 281 2HB CYS A 20 -38.212 -22.080 45.759 1.00 -5.27 H ATOM 282 SG CYS A 20 -35.906 -21.634 45.216 1.00 -5.27 S ATOM 283 N ASN A 21 -40.219 -23.374 44.182 1.00 15.28 N ATOM 284 H ASN A 21 -39.695 -24.113 44.636 1.00 15.28 H ATOM 285 CA ASN A 21 -41.666 -23.327 44.354 1.00 15.28 C ATOM 286 HA ASN A 21 -42.155 -23.230 43.384 1.00 15.28 H ATOM 287 C ASN A 21 -42.021 -22.117 45.217 1.00 15.28 C ATOM 288 O ASN A 21 -41.200 -21.624 45.995 1.00 15.28 O ATOM 289 CB ASN A 21 -42.164 -24.591 45.065 1.00 15.28 C ATOM 290 1HB ASN A 21 -41.571 -24.747 45.962 1.00 15.28 H ATOM 291 2HB ASN A 21 -43.204 -24.453 45.357 1.00 15.28 H ATOM 292 CG ASN A 21 -42.080 -25.819 44.203 1.00 15.28 C ATOM 293 OD1 ASN A 21 -42.262 -25.763 42.999 1.00 15.28 O ATOM 294 ND2 ASN A 21 -41.810 -26.941 44.809 1.00 15.28 N ATOM 295 1HD2 ASN A 21 -41.764 -27.781 44.260 1.00 15.28 H ATOM 296 2HD2 ASN A 21 -41.637 -26.953 45.798 1.00 15.28 H ATOM 297 N GLY A 22 -43.266 -21.672 45.126 1.00 3.19 N ATOM 298 H GLY A 22 -43.908 -22.092 44.475 1.00 3.19 H ATOM 299 CA GLY A 22 -43.734 -20.614 46.004 1.00 3.19 C ATOM 300 1HA GLY A 22 -43.080 -19.748 45.901 1.00 3.19 H ATOM 301 2HA GLY A 22 -44.750 -20.330 45.731 1.00 3.19 H ATOM 302 C GLY A 22 -43.718 -21.081 47.449 1.00 3.19 C ATOM 303 O GLY A 22 -43.897 -22.263 47.735 1.00 3.19 O ATOM 304 N GLY A 23 -43.489 -20.156 48.371 1.00 7.08 N ATOM 305 H GLY A 23 -43.357 -19.195 48.094 1.00 7.08 H ATOM 306 CA GLY A 23 -43.408 -20.501 49.783 1.00 7.08 C ATOM 307 1HA GLY A 23 -43.740 -19.646 50.371 1.00 7.08 H ATOM 308 2HA GLY A 23 -44.067 -21.343 49.994 1.00 7.08 H ATOM 309 C GLY A 23 -42.002 -20.859 50.226 1.00 7.08 C ATOM 310 O GLY A 23 -41.775 -21.177 51.394 1.00 7.08 O ATOM 311 N PHE A 24 -41.054 -20.762 49.308 1.00 19.63 N ATOM 312 H PHE A 24 -41.292 -20.510 48.359 1.00 19.63 H ATOM 313 CA PHE A 24 -39.641 -20.964 49.604 1.00 19.63 C ATOM 314 HA PHE A 24 -39.497 -21.195 50.658 1.00 19.63 H ATOM 315 C PHE A 24 -38.929 -19.655 49.278 1.00 19.63 C ATOM 316 O PHE A 24 -39.473 -18.808 48.570 1.00 19.63 O ATOM 317 CB PHE A 24 -39.056 -22.091 48.753 1.00 19.63 C ATOM 318 1HB PHE A 24 -39.239 -21.864 47.705 1.00 19.63 H ATOM 319 2HB PHE A 24 -37.980 -22.118 48.914 1.00 19.63 H ATOM 320 CG PHE A 24 -39.609 -23.460 49.064 1.00 19.63 C ATOM 321 CD1 PHE A 24 -40.842 -23.885 48.540 1.00 19.63 C ATOM 322 HD1 PHE A 24 -41.441 -23.204 47.954 1.00 19.63 H ATOM 323 CD2 PHE A 24 -38.861 -24.355 49.846 1.00 19.63 C ATOM 324 HD2 PHE A 24 -37.937 -24.030 50.291 1.00 19.63 H ATOM 325 CE1 PHE A 24 -41.311 -25.205 48.760 1.00 19.63 C ATOM 326 HE1 PHE A 24 -42.265 -25.513 48.356 1.00 19.63 H ATOM 327 CE2 PHE A 24 -39.291 -25.690 50.044 1.00 19.63 C ATOM 328 HE2 PHE A 24 -38.679 -26.379 50.609 1.00 19.63 H ATOM 329 CZ PHE A 24 -40.520 -26.117 49.495 1.00 19.63 C ATOM 330 HZ PHE A 24 -40.857 -27.133 49.645 1.00 19.63 H ATOM 331 N ARG A 25 -37.725 -19.490 49.804 1.00 -7.17 N ATOM 332 H ARG A 25 -37.347 -20.242 50.380 1.00 -7.17 H ATOM 333 CA ARG A 25 -36.917 -18.277 49.654 1.00 -7.17 C ATOM 334 HA ARG A 25 -37.441 -17.551 49.031 1.00 -7.17 H ATOM 335 C ARG A 25 -35.602 -18.657 48.998 1.00 -7.17 C ATOM 336 O ARG A 25 -35.168 -19.799 49.117 1.00 -7.17 O ATOM 337 CB ARG A 25 -36.657 -17.685 51.044 1.00 -7.17 C ATOM 338 1HB ARG A 25 -36.149 -18.441 51.644 1.00 -7.17 H ATOM 339 2HB ARG A 25 -36.001 -16.819 50.952 1.00 -7.17 H ATOM 340 CG ARG A 25 -37.930 -17.267 51.774 1.00 -7.17 C ATOM 341 1HG ARG A 25 -38.379 -16.416 51.262 1.00 -7.17 H ATOM 342 2HG ARG A 25 -38.638 -18.093 51.764 1.00 -7.17 H ATOM 343 CD ARG A 25 -37.654 -16.907 53.227 1.00 -7.17 C ATOM 344 1HD ARG A 25 -37.145 -17.741 53.709 1.00 -7.17 H ATOM 345 2HD ARG A 25 -37.002 -16.033 53.264 1.00 -7.17 H ATOM 346 NE ARG A 25 -38.904 -16.620 53.949 1.00 -7.17 N ATOM 347 HE ARG A 25 -39.133 -15.650 54.081 1.00 -7.17 H ATOM 348 CZ ARG A 25 -39.744 -17.520 54.451 1.00 -7.17 C ATOM 349 NH1 ARG A 25 -40.803 -17.105 55.088 1.00 -7.17 N ATOM 350 1HH1 ARG A 25 -40.983 -16.124 55.191 1.00 -7.17 H ATOM 351 2HH1 ARG A 25 -41.424 -17.778 55.499 1.00 -7.17 H ATOM 352 NH2 ARG A 25 -39.579 -18.808 54.338 1.00 -7.17 N ATOM 353 1HH2 ARG A 25 -38.709 -19.168 53.961 1.00 -7.17 H ATOM 354 2HH2 ARG A 25 -40.260 -19.467 54.677 1.00 -7.17 H ATOM 355 N LEU A 26 -34.944 -17.722 48.330 1.00-11.40 N ATOM 356 H LEU A 26 -35.311 -16.784 48.291 1.00-11.40 H ATOM 357 CA LEU A 26 -33.676 -18.013 47.655 1.00-11.40 C ATOM 358 HA LEU A 26 -33.727 -19.018 47.233 1.00-11.40 H ATOM 359 C LEU A 26 -32.525 -17.973 48.667 1.00-11.40 C ATOM 360 O LEU A 26 -31.850 -16.962 48.822 1.00-11.40 O ATOM 361 CB LEU A 26 -33.423 -17.005 46.522 1.00-11.40 C ATOM 362 1HB LEU A 26 -33.298 -16.021 46.974 1.00-11.40 H ATOM 363 2HB LEU A 26 -32.479 -17.273 46.049 1.00-11.40 H ATOM 364 CG LEU A 26 -34.482 -16.854 45.417 1.00-11.40 C ATOM 365 HG LEU A 26 -35.413 -16.522 45.876 1.00-11.40 H ATOM 366 CD1 LEU A 26 -34.030 -15.777 44.434 1.00-11.40 C ATOM 367 1HD1 LEU A 26 -34.799 -15.628 43.674 1.00-11.40 H ATOM 368 2HD1 LEU A 26 -33.097 -16.065 43.953 1.00-11.40 H ATOM 369 3HD1 LEU A 26 -33.887 -14.832 44.963 1.00-11.40 H ATOM 370 CD2 LEU A 26 -34.769 -18.143 44.659 1.00-11.40 C ATOM 371 1HD2 LEU A 26 -35.513 -17.955 43.884 1.00-11.40 H ATOM 372 2HD2 LEU A 26 -35.173 -18.886 45.344 1.00-11.40 H ATOM 373 3HD2 LEU A 26 -33.861 -18.525 44.204 1.00-11.40 H ATOM 374 N GLY A 27 -32.313 -19.068 49.380 1.00 12.43 N ATOM 375 H GLY A 27 -32.869 -19.902 49.198 1.00 12.43 H ATOM 376 CA GLY A 27 -31.318 -19.098 50.441 1.00 12.43 C ATOM 377 1HA GLY A 27 -31.431 -18.204 51.055 1.00 12.43 H ATOM 378 2HA GLY A 27 -31.496 -19.972 51.066 1.00 12.43 H ATOM 379 C GLY A 27 -29.891 -19.156 49.937 1.00 12.43 C ATOM 380 O GLY A 27 -28.960 -18.752 50.634 1.00 12.43 O ATOM 381 N GLY A 28 -29.703 -19.645 48.720 1.00 8.21 N ATOM 382 H GLY A 28 -30.496 -19.955 48.173 1.00 8.21 H ATOM 383 CA GLY A 28 -28.371 -19.794 48.158 1.00 8.21 C ATOM 384 1HA GLY A 28 -27.974 -18.824 47.864 1.00 8.21 H ATOM 385 2HA GLY A 28 -27.714 -20.237 48.908 1.00 8.21 H ATOM 386 C GLY A 28 -28.426 -20.710 46.958 1.00 8.21 C ATOM 387 O GLY A 28 -29.452 -20.759 46.278 1.00 8.21 O ATOM 388 N HIS A 29 -27.374 -21.484 46.747 1.00 3.03 N ATOM 389 H HIS A 29 -26.574 -21.423 47.364 1.00 3.03 H ATOM 390 CA HIS A 29 -27.346 -22.558 45.756 1.00 3.03 C ATOM 391 HA HIS A 29 -28.331 -22.731 45.338 1.00 3.03 H ATOM 392 C HIS A 29 -26.943 -23.777 46.565 1.00 3.03 C ATOM 393 O HIS A 29 -26.320 -23.604 47.599 1.00 3.03 O ATOM 394 CB HIS A 29 -26.341 -22.284 44.632 1.00 3.03 C ATOM 395 1HB HIS A 29 -25.419 -21.885 45.054 1.00 3.03 H ATOM 396 2HB HIS A 29 -26.111 -23.232 44.145 1.00 3.03 H ATOM 397 CG HIS A 29 -26.870 -21.362 43.578 1.00 3.03 C ATOM 398 ND1 HIS A 29 -27.943 -21.666 42.782 1.00 3.03 N ATOM 399 HD1 HIS A 29 -28.473 -22.530 42.831 1.00 3.03 H ATOM 400 CD2 HIS A 29 -26.466 -20.130 43.171 1.00 3.03 C ATOM 401 HD2 HIS A 29 -25.629 -19.585 43.584 1.00 3.03 H ATOM 402 CE1 HIS A 29 -28.164 -20.640 41.964 1.00 3.03 C ATOM 403 HE1 HIS A 29 -28.963 -20.602 41.235 1.00 3.03 H ATOM 404 NE2 HIS A 29 -27.279 -19.681 42.149 1.00 3.03 N ATOM 405 N CYS A 30 -27.287 -24.983 46.139 1.00 16.48 N ATOM 406 H CYS A 30 -27.773 -25.072 45.249 1.00 16.48 H ATOM 407 CA CYS A 30 -26.977 -26.197 46.906 1.00 16.48 C ATOM 408 HA CYS A 30 -27.060 -25.981 47.972 1.00 16.48 H ATOM 409 C CYS A 30 -25.559 -26.705 46.640 1.00 16.48 C ATOM 410 O CYS A 30 -25.355 -27.903 46.434 1.00 16.48 O ATOM 411 CB CYS A 30 -27.971 -27.307 46.554 1.00 16.48 C ATOM 412 1HB CYS A 30 -27.974 -27.467 45.476 1.00 16.48 H ATOM 413 2HB CYS A 30 -27.647 -28.228 47.036 1.00 16.48 H ATOM 414 SG CYS A 30 -29.657 -26.953 47.125 1.00 16.48 S ATOM 415 N GLY A 31 -24.596 -25.802 46.547 1.00 23.20 N ATOM 416 H GLY A 31 -24.791 -24.839 46.806 1.00 23.20 H ATOM 417 CA GLY A 31 -23.261 -26.135 46.073 1.00 23.20 C ATOM 418 1HA GLY A 31 -22.556 -25.371 46.402 1.00 23.20 H ATOM 419 2HA GLY A 31 -22.961 -27.095 46.490 1.00 23.20 H ATOM 420 C GLY A 31 -23.207 -26.232 44.562 1.00 23.20 C ATOM 421 O GLY A 31 -22.437 -25.537 43.909 1.00 23.20 O ATOM 422 N HIS A 32 -24.075 -27.063 44.002 1.00 0.16 N ATOM 423 H HIS A 32 -24.685 -27.602 44.605 1.00 0.16 H ATOM 424 CA HIS A 32 -24.197 -27.209 42.557 1.00 0.16 C ATOM 425 HA HIS A 32 -23.230 -27.508 42.163 1.00 0.16 H ATOM 426 C HIS A 32 -24.633 -25.862 41.966 1.00 0.16 C ATOM 427 O HIS A 32 -25.661 -25.305 42.384 1.00 0.16 O ATOM 428 CB HIS A 32 -25.229 -28.294 42.232 1.00 0.16 C ATOM 429 1HB HIS A 32 -25.022 -29.161 42.859 1.00 0.16 H ATOM 430 2HB HIS A 32 -26.224 -27.923 42.476 1.00 0.16 H ATOM 431 CG HIS A 32 -25.209 -28.743 40.803 1.00 0.16 C ATOM 432 ND1 HIS A 32 -25.522 -27.952 39.721 1.00 0.16 N ATOM 433 HD1 HIS A 32 -25.796 -26.972 39.741 1.00 0.16 H ATOM 434 CD2 HIS A 32 -24.903 -29.955 40.269 1.00 0.16 C ATOM 435 HD2 HIS A 32 -24.604 -30.824 40.838 1.00 0.16 H ATOM 436 CE1 HIS A 32 -25.396 -28.687 38.617 1.00 0.16 C ATOM 437 HE1 HIS A 32 -25.567 -28.319 37.615 1.00 0.16 H ATOM 438 NE2 HIS A 32 -25.029 -29.919 38.898 1.00 0.16 N ATOM 439 N PRO A 33 -23.874 -25.313 40.996 1.00-15.48 N ATOM 440 CA PRO A 33 -24.313 -24.026 40.443 1.00-15.48 C ATOM 441 HA PRO A 33 -24.311 -23.265 41.223 1.00-15.48 H ATOM 442 C PRO A 33 -25.685 -24.100 39.789 1.00-15.48 C ATOM 443 O PRO A 33 -26.107 -25.160 39.325 1.00-15.48 O ATOM 444 CB PRO A 33 -23.247 -23.720 39.386 1.00-15.48 C ATOM 445 1HB PRO A 33 -23.572 -24.085 38.412 1.00-15.48 H ATOM 446 2HB PRO A 33 -23.037 -22.651 39.345 1.00-15.48 H ATOM 447 CG PRO A 33 -22.053 -24.472 39.840 1.00-15.48 C ATOM 448 1HG PRO A 33 -21.362 -24.648 39.015 1.00-15.48 H ATOM 449 2HG PRO A 33 -21.560 -23.934 40.651 1.00-15.48 H ATOM 450 CD PRO A 33 -22.625 -25.758 40.347 1.00-15.48 C ATOM 451 1HD PRO A 33 -22.845 -26.440 39.523 1.00-15.48 H ATOM 452 2HD PRO A 33 -21.944 -26.216 41.065 1.00-15.48 H ATOM 453 N LYS A 34 -26.370 -22.961 39.771 1.00 16.72 N ATOM 454 H LYS A 34 -25.935 -22.156 40.199 1.00 16.72 H ATOM 455 CA LYS A 34 -27.726 -22.777 39.216 1.00 16.72 C ATOM 456 HA LYS A 34 -27.971 -21.723 39.334 1.00 16.72 H ATOM 457 C LYS A 34 -28.851 -23.526 39.933 1.00 16.72 C ATOM 458 O LYS A 34 -29.998 -23.134 39.790 1.00 16.72 O ATOM 459 CB LYS A 34 -27.796 -23.086 37.709 1.00 16.72 C ATOM 460 1HB LYS A 34 -27.642 -24.155 37.572 1.00 16.72 H ATOM 461 2HB LYS A 34 -28.803 -22.857 37.359 1.00 16.72 H ATOM 462 CG LYS A 34 -26.796 -22.345 36.811 1.00 16.72 C ATOM 463 1HG LYS A 34 -25.782 -22.534 37.160 1.00 16.72 H ATOM 464 2HG LYS A 34 -26.887 -22.751 35.803 1.00 16.72 H ATOM 465 CD LYS A 34 -27.033 -20.836 36.738 1.00 16.72 C ATOM 466 1HD LYS A 34 -28.056 -20.654 36.405 1.00 16.72 H ATOM 467 2HD LYS A 34 -26.892 -20.393 37.725 1.00 16.72 H ATOM 468 CE LYS A 34 -26.057 -20.195 35.749 1.00 16.72 C ATOM 469 1HE LYS A 34 -25.035 -20.400 36.079 1.00 16.72 H ATOM 470 2HE LYS A 34 -26.199 -20.657 34.769 1.00 16.72 H ATOM 471 NZ LYS A 34 -26.248 -18.707 35.621 1.00 16.72 N ATOM 472 1HZ LYS A 34 -25.580 -18.331 34.960 1.00 16.72 H ATOM 473 2HZ LYS A 34 -26.109 -18.262 36.518 1.00 16.72 H ATOM 474 3HZ LYS A 34 -27.183 -18.507 35.292 1.00 16.72 H ATOM 475 N ILE A 35 -28.563 -24.533 40.741 1.00 17.89 N ATOM 476 H ILE A 35 -27.602 -24.839 40.845 1.00 17.89 H ATOM 477 CA ILE A 35 -29.601 -25.217 41.511 1.00 17.89 C ATOM 478 HA ILE A 35 -30.547 -25.157 40.980 1.00 17.89 H ATOM 479 C ILE A 35 -29.732 -24.456 42.819 1.00 17.89 C ATOM 480 O ILE A 35 -28.801 -24.419 43.621 1.00 17.89 O ATOM 481 CB ILE A 35 -29.256 -26.707 41.769 1.00 17.89 C ATOM 482 HB ILE A 35 -28.335 -26.748 42.352 1.00 17.89 H ATOM 483 CG1 ILE A 35 -29.004 -27.455 40.442 1.00 17.89 C ATOM 484 1HG1 ILE A 35 -28.144 -27.006 39.950 1.00 17.89 H ATOM 485 2HG1 ILE A 35 -28.735 -28.483 40.686 1.00 17.89 H ATOM 486 CG2 ILE A 35 -30.370 -27.389 42.590 1.00 17.89 C ATOM 487 1HG2 ILE A 35 -30.140 -28.448 42.716 1.00 17.89 H ATOM 488 2HG2 ILE A 35 -31.336 -27.288 42.094 1.00 17.89 H ATOM 489 3HG2 ILE A 35 -30.434 -26.929 43.578 1.00 17.89 H ATOM 490 CD1 ILE A 35 -30.163 -27.498 39.416 1.00 17.89 C ATOM 491 1HD1 ILE A 35 -29.848 -28.087 38.556 1.00 17.89 H ATOM 492 2HD1 ILE A 35 -30.410 -26.489 39.088 1.00 17.89 H ATOM 493 3HD1 ILE A 35 -31.042 -27.968 39.859 1.00 17.89 H ATOM 494 N ARG A 36 -30.841 -23.759 43.006 1.00 -5.58 N ATOM 495 H ARG A 36 -31.603 -23.843 42.338 1.00 -5.58 H ATOM 496 CA ARG A 36 -31.054 -22.933 44.191 1.00 -5.58 C ATOM 497 HA ARG A 36 -30.195 -22.289 44.355 1.00 -5.58 H ATOM 498 C ARG A 36 -31.239 -23.805 45.416 1.00 -5.58 C ATOM 499 O ARG A 36 -31.857 -24.864 45.352 1.00 -5.58 O ATOM 500 CB ARG A 36 -32.320 -22.084 44.034 1.00 -5.58 C ATOM 501 1HB ARG A 36 -33.143 -22.744 43.763 1.00 -5.58 H ATOM 502 2HB ARG A 36 -32.558 -21.631 44.997 1.00 -5.58 H ATOM 503 CG ARG A 36 -32.235 -20.973 43.002 1.00 -5.58 C ATOM 504 1HG ARG A 36 -31.858 -21.369 42.060 1.00 -5.58 H ATOM 505 2HG ARG A 36 -33.234 -20.570 42.842 1.00 -5.58 H ATOM 506 CD ARG A 36 -31.326 -19.854 43.486 1.00 -5.58 C ATOM 507 1HD ARG A 36 -31.671 -19.520 44.466 1.00 -5.58 H ATOM 508 2HD ARG A 36 -30.309 -20.231 43.587 1.00 -5.58 H ATOM 509 NE ARG A 36 -31.333 -18.712 42.561 1.00 -5.58 N ATOM 510 HE ARG A 36 -31.981 -18.766 41.791 1.00 -5.58 H ATOM 511 CZ ARG A 36 -30.579 -17.624 42.658 1.00 -5.58 C ATOM 512 NH1 ARG A 36 -30.770 -16.652 41.810 1.00 -5.58 N ATOM 513 1HH1 ARG A 36 -31.486 -16.724 41.108 1.00 -5.58 H ATOM 514 2HH1 ARG A 36 -30.206 -15.821 41.864 1.00 -5.58 H ATOM 515 NH2 ARG A 36 -29.650 -17.468 43.565 1.00 -5.58 N ATOM 516 1HH2 ARG A 36 -29.457 -18.221 44.205 1.00 -5.58 H ATOM 517 2HH2 ARG A 36 -29.119 -16.617 43.608 1.00 -5.58 H ATOM 518 N CYS A 37 -30.781 -23.287 46.542 1.00-16.73 N ATOM 519 H CYS A 37 -30.239 -22.433 46.506 1.00-16.73 H ATOM 520 CA CYS A 37 -31.192 -23.790 47.841 1.00-16.73 C ATOM 521 HA CYS A 37 -31.435 -24.850 47.776 1.00-16.73 H ATOM 522 C CYS A 37 -32.455 -22.997 48.135 1.00-16.73 C ATOM 523 O CYS A 37 -32.407 -21.791 48.400 1.00-16.73 O ATOM 524 CB CYS A 37 -30.128 -23.561 48.918 1.00-16.73 C ATOM 525 1HB CYS A 37 -29.220 -24.097 48.641 1.00-16.73 H ATOM 526 2HB CYS A 37 -29.904 -22.497 48.970 1.00-16.73 H ATOM 527 SG CYS A 37 -30.664 -24.117 50.570 1.00-16.73 S ATOM 528 N CYS A 38 -33.584 -23.667 48.009 1.00-10.71 N ATOM 529 H CYS A 38 -33.549 -24.660 47.781 1.00-10.71 H ATOM 530 CA CYS A 38 -34.895 -23.079 48.216 1.00-10.71 C ATOM 531 HA CYS A 38 -34.878 -22.016 47.981 1.00-10.71 H ATOM 532 C CYS A 38 -35.230 -23.280 49.682 1.00-10.71 C ATOM 533 O CYS A 38 -35.595 -24.378 50.088 1.00-10.71 O ATOM 534 CB CYS A 38 -35.896 -23.797 47.316 1.00-10.71 C ATOM 535 1HB CYS A 38 -35.896 -24.861 47.555 1.00-10.71 H ATOM 536 2HB CYS A 38 -36.894 -23.403 47.488 1.00-10.71 H ATOM 537 SG CYS A 38 -35.460 -23.582 45.565 1.00-10.71 S ATOM 538 N ARG A 39 -35.025 -22.256 50.495 1.00-11.94 N ATOM 539 H ARG A 39 -34.775 -21.355 50.096 1.00-11.94 H ATOM 540 CA ARG A 39 -35.171 -22.386 51.943 1.00-11.94 C ATOM 541 HA ARG A 39 -34.807 -23.364 52.236 1.00-11.94 H ATOM 542 C ARG A 39 -36.646 -22.277 52.298 1.00-11.94 C ATOM 543 O ARG A 39 -37.307 -21.345 51.863 1.00-11.94 O ATOM 544 CB ARG A 39 -34.343 -21.319 52.662 1.00-11.94 C ATOM 545 1HB ARG A 39 -33.414 -21.175 52.111 1.00-11.94 H ATOM 546 2HB ARG A 39 -34.895 -20.379 52.664 1.00-11.94 H ATOM 547 CG ARG A 39 -33.981 -21.717 54.086 1.00-11.94 C ATOM 548 1HG ARG A 39 -34.885 -21.975 54.632 1.00-11.94 H ATOM 549 2HG ARG A 39 -33.337 -22.595 54.043 1.00-11.94 H ATOM 550 CD ARG A 39 -33.250 -20.614 54.827 1.00-11.94 C ATOM 551 1HD ARG A 39 -32.774 -21.045 55.710 1.00-11.94 H ATOM 552 2HD ARG A 39 -32.483 -20.206 54.175 1.00-11.94 H ATOM 553 NE ARG A 39 -34.148 -19.537 55.256 1.00-11.94 N ATOM 554 HE ARG A 39 -35.140 -19.656 55.037 1.00-11.94 H ATOM 555 CZ ARG A 39 -33.814 -18.445 55.927 1.00-11.94 C ATOM 556 NH1 ARG A 39 -34.765 -17.690 56.398 1.00-11.94 N ATOM 557 1HH1 ARG A 39 -35.741 -18.004 56.327 1.00-11.94 H ATOM 558 2HH1 ARG A 39 -34.554 -16.827 56.859 1.00-11.94 H ATOM 559 NH2 ARG A 39 -32.574 -18.086 56.156 1.00-11.94 N ATOM 560 1HH2 ARG A 39 -31.822 -18.655 55.807 1.00-11.94 H ATOM 561 2HH2 ARG A 39 -32.378 -17.253 56.680 1.00-11.94 H ATOM 562 N ARG A 40 -37.176 -23.238 53.039 1.00 7.70 N ATOM 563 H ARG A 40 -36.586 -24.005 53.349 1.00 7.70 H ATOM 564 CA ARG A 40 -38.580 -23.218 53.456 1.00 7.70 C ATOM 565 HA ARG A 40 -39.187 -22.788 52.659 1.00 7.70 H ATOM 566 C ARG A 40 -38.715 -22.337 54.691 1.00 7.70 C ATOM 567 O ARG A 40 -39.740 -21.683 54.893 1.00 7.70 O ATOM 568 CB ARG A 40 -39.050 -24.647 53.753 1.00 7.70 C ATOM 569 1HB ARG A 40 -38.786 -25.277 52.904 1.00 7.70 H ATOM 570 2HB ARG A 40 -38.511 -25.015 54.626 1.00 7.70 H ATOM 571 CG ARG A 40 -40.550 -24.796 54.012 1.00 7.70 C ATOM 572 1HG ARG A 40 -40.742 -25.814 54.350 1.00 7.70 H ATOM 573 2HG ARG A 40 -40.848 -24.109 54.803 1.00 7.70 H ATOM 574 CD ARG A 40 -41.397 -24.524 52.768 1.00 7.70 C ATOM 575 1HD ARG A 40 -41.200 -23.519 52.396 1.00 7.70 H ATOM 576 2HD ARG A 40 -41.122 -25.240 51.996 1.00 7.70 H ATOM 577 NE ARG A 40 -42.830 -24.671 53.064 1.00 7.70 N ATOM 578 HE ARG A 40 -43.209 -25.598 52.963 1.00 7.70 H ATOM 579 CZ ARG A 40 -43.656 -23.710 53.457 1.00 7.70 C ATOM 580 NH1 ARG A 40 -44.874 -24.039 53.790 1.00 7.70 N ATOM 581 1HH1 ARG A 40 -45.166 -25.000 53.758 1.00 7.70 H ATOM 582 2HH1 ARG A 40 -45.524 -23.330 54.079 1.00 7.70 H ATOM 583 NH2 ARG A 40 -43.336 -22.445 53.529 1.00 7.70 N ATOM 584 1HH2 ARG A 40 -42.436 -22.137 53.171 1.00 7.70 H ATOM 585 2HH2 ARG A 40 -43.976 -21.774 53.903 1.00 7.70 H ATOM 586 N LYS A 41 -37.655 -22.310 55.490 1.00 -7.56 N ATOM 587 H LYS A 41 -36.882 -22.921 55.281 1.00 -7.56 H ATOM 588 CA LYS A 41 -37.511 -21.344 56.587 1.00 -7.56 C ATOM 589 HA LYS A 41 -38.419 -21.309 57.190 1.00 -7.56 H ATOM 590 C LYS A 41 -37.271 -19.981 55.955 1.00 -7.56 C ATOM 591 O LYS A 41 -36.882 -19.976 54.769 1.00 -7.56 O ATOM 592 OXT LYS A 41 -37.346 -18.947 56.633 1.00 -7.56 O ATOM 593 CB LYS A 41 -36.294 -21.654 57.467 1.00 -7.56 C ATOM 594 1HB LYS A 41 -35.410 -21.584 56.839 1.00 -7.56 H ATOM 595 2HB LYS A 41 -36.221 -20.876 58.228 1.00 -7.56 H ATOM 596 CG LYS A 41 -36.256 -23.010 58.163 1.00 -7.56 C ATOM 597 1HG LYS A 41 -37.104 -23.120 58.838 1.00 -7.56 H ATOM 598 2HG LYS A 41 -36.278 -23.798 57.410 1.00 -7.56 H ATOM 599 CD LYS A 41 -34.941 -23.092 58.939 1.00 -7.56 C ATOM 600 1HD LYS A 41 -34.150 -22.778 58.264 1.00 -7.56 H ATOM 601 2HD LYS A 41 -34.964 -22.396 59.778 1.00 -7.56 H ATOM 602 CE LYS A 41 -34.601 -24.498 59.437 1.00 -7.56 C ATOM 603 1HE LYS A 41 -35.207 -24.738 60.313 1.00 -7.56 H ATOM 604 2HE LYS A 41 -34.828 -25.214 58.646 1.00 -7.56 H ATOM 605 NZ LYS A 41 -33.126 -24.593 59.763 1.00 -7.56 N ATOM 606 1HZ LYS A 41 -32.863 -25.551 59.958 1.00 -7.56 H ATOM 607 2HZ LYS A 41 -32.902 -24.015 60.560 1.00 -7.56 H ATOM 608 3HZ LYS A 41 -32.579 -24.276 58.966 1.00 -7.56 H TER 609 LYS A 41 CONECT 136 133 527 CONECT 220 217 414 CONECT 282 279 537 CONECT 414 220 411 CONECT 527 136 524 CONECT 537 282 534 END
SEQUENCE	QLINSPVTCMSYGGSCQRSCNGGFRLGGHCGHPKIRCCRRK
HELICITY	0.00	INSTAB. INDEX	81.04	FLEXIBILITY	15.81
a HYD. MOM.	51.47	b HYD. MOM.	31.87	c HYD. MOM	7.86
a MEAN HYD. MOM.	1.26	b MEAN HYD. MOM.	0.78	c MEAN HYD. MOM.	0.19
CHARGE pH5	8.82	CHARGE pH7	6.91	CHARGE pH9	1.74
Δ CHARGE pH5-pH9	7.08	ISOELECTRIC POINT	9.69	BOMAN INDEX	2.25
ΔG	25	CPP	0,08	MLP	-13,11
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	Chordata	CLASS	Mammalia	ORDER	Rodentia
FAMILY	Muridae	GENUS	Mus	SPECIES	Mus musculus
DATE	2001
TITLE PAPER	A novel mouse beta-defensin, mBD-6, predominantly expressed in skeletal muscle