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ID	2380	NAME	Beta-defensin 10   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\QGVRSYLSCWGNRGICLLNRCPGRMRQIGTCLAPRVKCCR.pdb REMARK YASARA Written on: Wed May 14 18:57:56 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 632 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 SER TYR LEU SER CYS TRP GLY ASN ARG SEQRES 2 A 40 GLY ILE CYS LEU LEU ASN ARG CYS PRO GLY ARG MET ARG SEQRES 3 A 40 GLN ILE GLY THR CYS LEU ALA PRO ARG VAL 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 -29.334 -6.084 60.445 1.00 -7.88 N ATOM 2 1H GLN A 1 -30.178 -5.779 60.908 1.00 -7.88 H ATOM 3 2H GLN A 1 -29.564 -6.812 59.779 1.00 -7.88 H ATOM 4 3H GLN A 1 -28.918 -5.302 59.959 1.00 -7.88 H ATOM 5 CA GLN A 1 -28.375 -6.616 61.454 1.00 -7.88 C ATOM 6 HA GLN A 1 -28.159 -5.832 62.181 1.00 -7.88 H ATOM 7 C GLN A 1 -27.050 -7.006 60.814 1.00 -7.88 C ATOM 8 O GLN A 1 -26.049 -6.964 61.501 1.00 -7.88 O ATOM 9 CB GLN A 1 -28.949 -7.827 62.198 1.00 -7.88 C ATOM 10 1HB GLN A 1 -29.308 -8.549 61.469 1.00 -7.88 H ATOM 11 2HB GLN A 1 -28.141 -8.291 62.763 1.00 -7.88 H ATOM 12 CG GLN A 1 -30.075 -7.491 63.175 1.00 -7.88 C ATOM 13 1HG GLN A 1 -29.702 -6.777 63.910 1.00 -7.88 H ATOM 14 2HG GLN A 1 -30.906 -7.040 62.634 1.00 -7.88 H ATOM 15 CD GLN A 1 -30.589 -8.715 63.905 1.00 -7.88 C ATOM 16 OE1 GLN A 1 -31.691 -9.167 63.662 1.00 -7.88 O ATOM 17 NE2 GLN A 1 -29.798 -9.263 64.784 1.00 -7.88 N ATOM 18 1HE2 GLN A 1 -30.094 -10.135 65.222 1.00 -7.88 H ATOM 19 2HE2 GLN A 1 -28.914 -8.848 65.020 1.00 -7.88 H ATOM 20 N GLY A 2 -27.004 -7.380 59.539 1.00 -6.94 N ATOM 21 H GLY A 2 -27.838 -7.458 58.968 1.00 -6.94 H ATOM 22 CA GLY A 2 -25.731 -7.741 58.927 1.00 -6.94 C ATOM 23 1HA GLY A 2 -25.753 -7.474 57.870 1.00 -6.94 H ATOM 24 2HA GLY A 2 -24.917 -7.193 59.403 1.00 -6.94 H ATOM 25 C GLY A 2 -25.452 -9.225 59.033 1.00 -6.94 C ATOM 26 O GLY A 2 -24.314 -9.672 58.961 1.00 -6.94 O ATOM 27 N VAL A 3 -26.519 -9.998 59.190 1.00 5.17 N ATOM 28 H VAL A 3 -27.433 -9.581 59.237 1.00 5.17 H ATOM 29 CA VAL A 3 -26.422 -11.455 59.225 1.00 5.17 C ATOM 30 HA VAL A 3 -25.743 -11.759 60.021 1.00 5.17 H ATOM 31 C VAL A 3 -25.828 -11.883 57.885 1.00 5.17 C ATOM 32 O VAL A 3 -26.276 -11.431 56.830 1.00 5.17 O ATOM 33 CB VAL A 3 -27.827 -12.074 59.464 1.00 5.17 C ATOM 34 HB VAL A 3 -28.525 -11.638 58.756 1.00 5.17 H ATOM 35 CG1 VAL A 3 -27.847 -13.571 59.253 1.00 5.17 C ATOM 36 1HG1 VAL A 3 -28.861 -13.934 59.393 1.00 5.17 H ATOM 37 2HG1 VAL A 3 -27.198 -14.062 59.970 1.00 5.17 H ATOM 38 3HG1 VAL A 3 -27.539 -13.825 58.240 1.00 5.17 H ATOM 39 CG2 VAL A 3 -28.306 -11.746 60.883 1.00 5.17 C ATOM 40 1HG2 VAL A 3 -29.252 -12.252 61.076 1.00 5.17 H ATOM 41 2HG2 VAL A 3 -28.456 -10.676 60.991 1.00 5.17 H ATOM 42 3HG2 VAL A 3 -27.573 -12.085 61.617 1.00 5.17 H ATOM 43 N ARG A 4 -24.785 -12.702 57.928 1.00 2.22 N ATOM 44 H ARG A 4 -24.431 -12.998 58.827 1.00 2.22 H ATOM 45 CA ARG A 4 -24.076 -13.115 56.714 1.00 2.22 C ATOM 46 HA ARG A 4 -24.662 -12.796 55.857 1.00 2.22 H ATOM 47 C ARG A 4 -23.907 -14.615 56.554 1.00 2.22 C ATOM 48 O ARG A 4 -23.197 -15.066 55.663 1.00 2.22 O ATOM 49 CB ARG A 4 -22.705 -12.416 56.665 1.00 2.22 C ATOM 50 1HB ARG A 4 -22.449 -12.101 57.677 1.00 2.22 H ATOM 51 2HB ARG A 4 -21.943 -13.125 56.352 1.00 2.22 H ATOM 52 CG ARG A 4 -22.618 -11.189 55.745 1.00 2.22 C ATOM 53 1HG ARG A 4 -23.296 -10.419 56.117 1.00 2.22 H ATOM 54 2HG ARG A 4 -21.600 -10.801 55.791 1.00 2.22 H ATOM 55 CD ARG A 4 -22.964 -11.484 54.275 1.00 2.22 C ATOM 56 1HD ARG A 4 -24.020 -11.729 54.217 1.00 2.22 H ATOM 57 2HD ARG A 4 -22.796 -10.581 53.687 1.00 2.22 H ATOM 58 NE ARG A 4 -22.177 -12.590 53.699 1.00 2.22 N ATOM 59 HE ARG A 4 -21.214 -12.645 53.981 1.00 2.22 H ATOM 60 CZ ARG A 4 -22.622 -13.527 52.868 1.00 2.22 C ATOM 61 NH1 ARG A 4 -21.800 -14.445 52.446 1.00 2.22 N ATOM 62 1HH1 ARG A 4 -20.838 -14.441 52.730 1.00 2.22 H ATOM 63 2HH1 ARG A 4 -22.154 -15.176 51.840 1.00 2.22 H ATOM 64 NH2 ARG A 4 -23.852 -13.610 52.437 1.00 2.22 N ATOM 65 1HH2 ARG A 4 -24.553 -12.954 52.756 1.00 2.22 H ATOM 66 2HH2 ARG A 4 -24.103 -14.355 51.797 1.00 2.22 H ATOM 67 N SER A 5 -24.556 -15.407 57.391 1.00 -0.25 N ATOM 68 H SER A 5 -25.174 -15.023 58.092 1.00 -0.25 H ATOM 69 CA SER A 5 -24.454 -16.857 57.271 1.00 -0.25 C ATOM 70 HA SER A 5 -24.269 -17.100 56.234 1.00 -0.25 H ATOM 71 C SER A 5 -25.765 -17.493 57.684 1.00 -0.25 C ATOM 72 O SER A 5 -26.506 -16.907 58.469 1.00 -0.25 O ATOM 73 CB SER A 5 -23.297 -17.408 58.111 1.00 -0.25 C ATOM 74 1HB SER A 5 -23.184 -18.474 57.909 1.00 -0.25 H ATOM 75 2HB SER A 5 -22.378 -16.897 57.821 1.00 -0.25 H ATOM 76 OG SER A 5 -23.518 -17.221 59.500 1.00 -0.25 O ATOM 77 HG SER A 5 -22.670 -17.329 59.953 1.00 -0.25 H ATOM 78 N TYR A 6 -26.039 -18.699 57.203 1.00 21.61 N ATOM 79 H TYR A 6 -25.431 -19.135 56.526 1.00 21.61 H ATOM 80 CA TYR A 6 -27.230 -19.421 57.643 1.00 21.61 C ATOM 81 HA TYR A 6 -28.122 -18.838 57.411 1.00 21.61 H ATOM 82 C TYR A 6 -27.189 -19.621 59.152 1.00 21.61 C ATOM 83 O TYR A 6 -28.182 -19.415 59.825 1.00 21.61 O ATOM 84 CB TYR A 6 -27.339 -20.790 56.970 1.00 21.61 C ATOM 85 1HB TYR A 6 -27.582 -20.657 55.915 1.00 21.61 H ATOM 86 2HB TYR A 6 -26.382 -21.305 57.049 1.00 21.61 H ATOM 87 CG TYR A 6 -28.395 -21.645 57.641 1.00 21.61 C ATOM 88 CD1 TYR A 6 -29.762 -21.312 57.542 1.00 21.61 C ATOM 89 HD1 TYR A 6 -30.072 -20.489 56.917 1.00 21.61 H ATOM 90 CD2 TYR A 6 -28.028 -22.741 58.451 1.00 21.61 C ATOM 91 HD2 TYR A 6 -26.990 -23.032 58.533 1.00 21.61 H ATOM 92 CE1 TYR A 6 -30.742 -22.031 58.281 1.00 21.61 C ATOM 93 HE1 TYR A 6 -31.784 -21.754 58.213 1.00 21.61 H ATOM 94 CE2 TYR A 6 -29.007 -23.465 59.184 1.00 21.61 C ATOM 95 HE2 TYR A 6 -28.722 -24.295 59.813 1.00 21.61 H ATOM 96 CZ TYR A 6 -30.350 -23.093 59.102 1.00 21.61 C ATOM 97 OH TYR A 6 -31.281 -23.782 59.835 1.00 21.61 O ATOM 98 HH TYR A 6 -32.165 -23.427 59.741 1.00 21.61 H ATOM 99 N LEU A 7 -26.033 -19.957 59.705 1.00-15.68 N ATOM 100 H LEU A 7 -25.218 -20.090 59.131 1.00-15.68 H ATOM 101 CA LEU A 7 -25.942 -20.187 61.145 1.00-15.68 C ATOM 102 HA LEU A 7 -26.697 -20.925 61.420 1.00-15.68 H ATOM 103 C LEU A 7 -26.232 -18.931 61.963 1.00-15.68 C ATOM 104 O LEU A 7 -26.882 -19.005 62.996 1.00-15.68 O ATOM 105 CB LEU A 7 -24.561 -20.740 61.512 1.00-15.68 C ATOM 106 1HB LEU A 7 -23.816 -19.992 61.243 1.00-15.68 H ATOM 107 2HB LEU A 7 -24.531 -20.863 62.596 1.00-15.68 H ATOM 108 CG LEU A 7 -24.148 -22.077 60.874 1.00-15.68 C ATOM 109 HG LEU A 7 -24.172 -21.966 59.790 1.00-15.68 H ATOM 110 CD1 LEU A 7 -22.716 -22.412 61.281 1.00-15.68 C ATOM 111 1HD1 LEU A 7 -22.404 -23.338 60.797 1.00-15.68 H ATOM 112 2HD1 LEU A 7 -22.650 -22.540 62.363 1.00-15.68 H ATOM 113 3HD1 LEU A 7 -22.040 -21.615 60.972 1.00-15.68 H ATOM 114 CD2 LEU A 7 -25.073 -23.233 61.258 1.00-15.68 C ATOM 115 1HD2 LEU A 7 -24.703 -24.164 60.825 1.00-15.68 H ATOM 116 2HD2 LEU A 7 -26.077 -23.056 60.875 1.00-15.68 H ATOM 117 3HD2 LEU A 7 -25.116 -23.341 62.344 1.00-15.68 H ATOM 118 N SER A 8 -25.813 -17.760 61.501 1.00-17.20 N ATOM 119 H SER A 8 -25.288 -17.707 60.641 1.00-17.20 H ATOM 120 CA SER A 8 -26.144 -16.531 62.225 1.00-17.20 C ATOM 121 HA SER A 8 -26.003 -16.713 63.292 1.00-17.20 H ATOM 122 C SER A 8 -27.620 -16.168 62.040 1.00-17.20 C ATOM 123 O SER A 8 -28.224 -15.570 62.926 1.00-17.20 O ATOM 124 CB SER A 8 -25.213 -15.376 61.839 1.00-17.20 C ATOM 125 1HB SER A 8 -25.566 -14.458 62.312 1.00-17.20 H ATOM 126 2HB SER A 8 -24.215 -15.597 62.218 1.00-17.20 H ATOM 127 OG SER A 8 -25.116 -15.189 60.436 1.00-17.20 O ATOM 128 HG SER A 8 -24.542 -15.881 60.079 1.00-17.20 H ATOM 129 N CYS A 9 -28.232 -16.581 60.938 1.00 -8.28 N ATOM 130 H CYS A 9 -27.701 -17.040 60.208 1.00 -8.28 H ATOM 131 CA CYS A 9 -29.673 -16.399 60.754 1.00 -8.28 C ATOM 132 HA CYS A 9 -29.930 -15.360 60.955 1.00 -8.28 H ATOM 133 C CYS A 9 -30.433 -17.294 61.730 1.00 -8.28 C ATOM 134 O CYS A 9 -31.332 -16.852 62.437 1.00 -8.28 O ATOM 135 CB CYS A 9 -30.074 -16.749 59.314 1.00 -8.28 C ATOM 136 1HB CYS A 9 -29.401 -16.237 58.627 1.00 -8.28 H ATOM 137 2HB CYS A 9 -29.968 -17.822 59.164 1.00 -8.28 H ATOM 138 SG CYS A 9 -31.783 -16.280 58.899 1.00 -8.28 S ATOM 139 N TRP A 10 -30.015 -18.548 61.792 1.00 11.76 N ATOM 140 H TRP A 10 -29.258 -18.843 61.180 1.00 11.76 H ATOM 141 CA TRP A 10 -30.614 -19.563 62.650 1.00 11.76 C ATOM 142 HA TRP A 10 -31.676 -19.638 62.413 1.00 11.76 H ATOM 143 C TRP A 10 -30.463 -19.225 64.133 1.00 11.76 C ATOM 144 O TRP A 10 -31.388 -19.412 64.920 1.00 11.76 O ATOM 145 CB TRP A 10 -29.923 -20.888 62.323 1.00 11.76 C ATOM 146 1HB TRP A 10 -29.886 -20.990 61.239 1.00 11.76 H ATOM 147 2HB TRP A 10 -28.900 -20.849 62.692 1.00 11.76 H ATOM 148 CG TRP A 10 -30.575 -22.118 62.864 1.00 11.76 C ATOM 149 CD1 TRP A 10 -31.847 -22.259 63.328 1.00 11.76 C ATOM 150 HD1 TRP A 10 -32.565 -21.450 63.386 1.00 11.76 H ATOM 151 CD2 TRP A 10 -29.981 -23.423 62.974 1.00 11.76 C ATOM 152 NE1 TRP A 10 -32.103 -23.551 63.700 1.00 11.76 N ATOM 153 HE1 TRP A 10 -32.986 -23.876 64.063 1.00 11.76 H ATOM 154 CE2 TRP A 10 -30.978 -24.300 63.488 1.00 11.76 C ATOM 155 CE3 TRP A 10 -28.704 -23.944 62.683 1.00 11.76 C ATOM 156 HE3 TRP A 10 -27.931 -23.299 62.298 1.00 11.76 H ATOM 157 CZ2 TRP A 10 -30.737 -25.673 63.702 1.00 11.76 C ATOM 158 HZ2 TRP A 10 -31.512 -26.318 64.087 1.00 11.76 H ATOM 159 CZ3 TRP A 10 -28.455 -25.325 62.894 1.00 11.76 C ATOM 160 HZ3 TRP A 10 -27.480 -25.736 62.672 1.00 11.76 H ATOM 161 CH2 TRP A 10 -29.482 -26.175 63.400 1.00 11.76 C ATOM 162 HH2 TRP A 10 -29.277 -27.224 63.551 1.00 11.76 H ATOM 163 N GLY A 11 -29.334 -18.640 64.511 1.00 -4.00 N ATOM 164 H GLY A 11 -28.574 -18.534 63.845 1.00 -4.00 H ATOM 165 CA GLY A 11 -29.145 -18.186 65.882 1.00 -4.00 C ATOM 166 1HA GLY A 11 -29.390 -19.005 66.559 1.00 -4.00 H ATOM 167 2HA GLY A 11 -28.101 -17.911 66.028 1.00 -4.00 H ATOM 168 C GLY A 11 -30.023 -17.000 66.238 1.00 -4.00 C ATOM 169 O GLY A 11 -30.465 -16.855 67.375 1.00 -4.00 O ATOM 170 N ASN A 12 -30.353 -16.179 65.249 1.00 -4.46 N ATOM 171 H ASN A 12 -29.974 -16.341 64.322 1.00 -4.46 H ATOM 172 CA ASN A 12 -31.298 -15.075 65.438 1.00 -4.46 C ATOM 173 HA ASN A 12 -31.169 -14.651 66.434 1.00 -4.46 H ATOM 174 C ASN A 12 -32.737 -15.579 65.333 1.00 -4.46 C ATOM 175 O ASN A 12 -33.681 -14.814 65.542 1.00 -4.46 O ATOM 176 CB ASN A 12 -31.059 -13.975 64.394 1.00 -4.46 C ATOM 177 1HB ASN A 12 -30.749 -14.428 63.454 1.00 -4.46 H ATOM 178 2HB ASN A 12 -31.989 -13.436 64.223 1.00 -4.46 H ATOM 179 CG ASN A 12 -30.034 -12.971 64.841 1.00 -4.46 C ATOM 180 OD1 ASN A 12 -30.341 -12.038 65.569 1.00 -4.46 O ATOM 181 ND2 ASN A 12 -28.818 -13.135 64.410 1.00 -4.46 N ATOM 182 1HD2 ASN A 12 -28.108 -12.487 64.696 1.00 -4.46 H ATOM 183 2HD2 ASN A 12 -28.596 -13.933 63.820 1.00 -4.46 H ATOM 184 N ARG A 13 -32.884 -16.861 65.010 1.00 2.04 N ATOM 185 H ARG A 13 -32.048 -17.417 64.870 1.00 2.04 H ATOM 186 CA ARG A 13 -34.166 -17.547 64.808 1.00 2.04 C ATOM 187 HA ARG A 13 -33.944 -18.560 64.470 1.00 2.04 H ATOM 188 C ARG A 13 -34.958 -16.884 63.691 1.00 2.04 C ATOM 189 O ARG A 13 -36.182 -16.811 63.717 1.00 2.04 O ATOM 190 CB ARG A 13 -34.948 -17.672 66.122 1.00 2.04 C ATOM 191 1HB ARG A 13 -35.249 -16.682 66.462 1.00 2.04 H ATOM 192 2HB ARG A 13 -35.844 -18.267 65.944 1.00 2.04 H ATOM 193 CG ARG A 13 -34.114 -18.342 67.209 1.00 2.04 C ATOM 194 1HG ARG A 13 -33.758 -19.305 66.841 1.00 2.04 H ATOM 195 2HG ARG A 13 -33.254 -17.715 67.441 1.00 2.04 H ATOM 196 CD ARG A 13 -34.895 -18.562 68.485 1.00 2.04 C ATOM 197 1HD ARG A 13 -35.319 -17.612 68.813 1.00 2.04 H ATOM 198 2HD ARG A 13 -35.701 -19.273 68.295 1.00 2.04 H ATOM 199 NE ARG A 13 -33.999 -19.086 69.527 1.00 2.04 N ATOM 200 HE ARG A 13 -33.030 -19.182 69.263 1.00 2.04 H ATOM 201 CZ ARG A 13 -34.340 -19.431 70.761 1.00 2.04 C ATOM 202 NH1 ARG A 13 -33.412 -19.864 71.568 1.00 2.04 N ATOM 203 1HH1 ARG A 13 -32.457 -19.925 71.257 1.00 2.04 H ATOM 204 2HH1 ARG A 13 -33.645 -20.131 72.509 1.00 2.04 H ATOM 205 NH2 ARG A 13 -35.564 -19.361 71.219 1.00 2.04 N ATOM 206 1HH2 ARG A 13 -36.299 -19.032 70.616 1.00 2.04 H ATOM 207 2HH2 ARG A 13 -35.770 -19.628 72.165 1.00 2.04 H ATOM 208 N GLY A 14 -34.210 -16.415 62.706 1.00 4.85 N ATOM 209 H GLY A 14 -33.203 -16.520 62.749 1.00 4.85 H ATOM 210 CA GLY A 14 -34.786 -15.850 61.503 1.00 4.85 C ATOM 211 1HA GLY A 14 -35.712 -15.325 61.739 1.00 4.85 H ATOM 212 2HA GLY A 14 -34.083 -15.154 61.047 1.00 4.85 H ATOM 213 C GLY A 14 -35.076 -16.972 60.529 1.00 4.85 C ATOM 214 O GLY A 14 -34.780 -18.139 60.799 1.00 4.85 O ATOM 215 N ILE A 15 -35.641 -16.621 59.387 1.00-10.28 N ATOM 216 H ILE A 15 -35.810 -15.631 59.213 1.00-10.28 H ATOM 217 CA ILE A 15 -36.019 -17.576 58.347 1.00-10.28 C ATOM 218 HA ILE A 15 -35.633 -18.561 58.604 1.00-10.28 H ATOM 219 C ILE A 15 -35.356 -17.142 57.045 1.00-10.28 C ATOM 220 O ILE A 15 -35.007 -15.975 56.889 1.00-10.28 O ATOM 221 CB ILE A 15 -37.571 -17.672 58.211 1.00-10.28 C ATOM 222 HB ILE A 15 -37.800 -18.363 57.399 1.00-10.28 H ATOM 223 CG1 ILE A 15 -38.186 -16.295 57.875 1.00-10.28 C ATOM 224 1HG1 ILE A 15 -38.036 -15.624 58.721 1.00-10.28 H ATOM 225 2HG1 ILE A 15 -37.659 -15.880 57.019 1.00-10.28 H ATOM 226 CG2 ILE A 15 -38.174 -18.252 59.518 1.00-10.28 C ATOM 227 1HG2 ILE A 15 -39.230 -18.481 59.378 1.00-10.28 H ATOM 228 2HG2 ILE A 15 -38.069 -17.536 60.337 1.00-10.28 H ATOM 229 3HG2 ILE A 15 -37.654 -19.171 59.792 1.00-10.28 H ATOM 230 CD1 ILE A 15 -39.684 -16.301 57.538 1.00-10.28 C ATOM 231 1HD1 ILE A 15 -39.983 -15.303 57.218 1.00-10.28 H ATOM 232 2HD1 ILE A 15 -40.266 -16.577 58.417 1.00-10.28 H ATOM 233 3HD1 ILE A 15 -39.880 -17.009 56.732 1.00-10.28 H ATOM 234 N CYS A 16 -35.164 -18.068 56.118 1.00-10.26 N ATOM 235 H CYS A 16 -35.501 -19.006 56.263 1.00-10.26 H ATOM 236 CA CYS A 16 -34.469 -17.765 54.869 1.00-10.26 C ATOM 237 HA CYS A 16 -33.994 -16.795 54.955 1.00-10.26 H ATOM 238 C CYS A 16 -35.433 -17.723 53.690 1.00-10.26 C ATOM 239 O CYS A 16 -36.251 -18.625 53.524 1.00-10.26 O ATOM 240 CB CYS A 16 -33.376 -18.803 54.611 1.00-10.26 C ATOM 241 1HB CYS A 16 -33.836 -19.789 54.551 1.00-10.26 H ATOM 242 2HB CYS A 16 -32.904 -18.584 53.656 1.00-10.26 H ATOM 243 SG CYS A 16 -32.095 -18.818 55.905 1.00-10.26 S ATOM 244 N LEU A 17 -35.326 -16.685 52.872 1.00 29.86 N ATOM 245 H LEU A 17 -34.616 -15.978 53.067 1.00 29.86 H ATOM 246 CA LEU A 17 -36.169 -16.511 51.685 1.00 29.86 C ATOM 247 HA LEU A 17 -36.773 -17.400 51.512 1.00 29.86 H ATOM 248 C LEU A 17 -35.253 -16.290 50.496 1.00 29.86 C ATOM 249 O LEU A 17 -34.378 -15.446 50.552 1.00 29.86 O ATOM 250 CB LEU A 17 -37.070 -15.279 51.822 1.00 29.86 C ATOM 251 1HB LEU A 17 -36.474 -14.493 52.285 1.00 29.86 H ATOM 252 2HB LEU A 17 -37.288 -14.946 50.809 1.00 29.86 H ATOM 253 CG LEU A 17 -38.423 -15.333 52.549 1.00 29.86 C ATOM 254 HG LEU A 17 -38.813 -14.320 52.547 1.00 29.86 H ATOM 255 CD1 LEU A 17 -39.420 -16.207 51.787 1.00 29.86 C ATOM 256 1HD1 LEU A 17 -40.399 -16.146 52.263 1.00 29.86 H ATOM 257 2HD1 LEU A 17 -39.092 -17.248 51.788 1.00 29.86 H ATOM 258 3HD1 LEU A 17 -39.513 -15.853 50.760 1.00 29.86 H ATOM 259 CD2 LEU A 17 -38.367 -15.788 54.000 1.00 29.86 C ATOM 260 1HD2 LEU A 17 -39.329 -15.611 54.478 1.00 29.86 H ATOM 261 2HD2 LEU A 17 -37.599 -15.230 54.534 1.00 29.86 H ATOM 262 3HD2 LEU A 17 -38.131 -16.852 54.055 1.00 29.86 H ATOM 263 N LEU A 18 -35.445 -17.027 49.414 1.00 50.42 N ATOM 264 H LEU A 18 -36.234 -17.654 49.377 1.00 50.42 H ATOM 265 CA LEU A 18 -34.490 -17.051 48.298 1.00 50.42 C ATOM 266 HA LEU A 18 -33.526 -17.294 48.734 1.00 50.42 H ATOM 267 C LEU A 18 -34.270 -15.782 47.464 1.00 50.42 C ATOM 268 O LEU A 18 -33.415 -15.766 46.578 1.00 50.42 O ATOM 269 CB LEU A 18 -34.853 -18.200 47.344 1.00 50.42 C ATOM 270 1HB LEU A 18 -33.940 -18.449 46.802 1.00 50.42 H ATOM 271 2HB LEU A 18 -35.103 -19.069 47.953 1.00 50.42 H ATOM 272 CG LEU A 18 -35.960 -18.025 46.284 1.00 50.42 C ATOM 273 HG LEU A 18 -35.712 -17.166 45.663 1.00 50.42 H ATOM 274 CD1 LEU A 18 -35.982 -19.259 45.384 1.00 50.42 C ATOM 275 1HD1 LEU A 18 -36.723 -19.127 44.595 1.00 50.42 H ATOM 276 2HD1 LEU A 18 -36.232 -20.150 45.964 1.00 50.42 H ATOM 277 3HD1 LEU A 18 -35.005 -19.396 44.919 1.00 50.42 H ATOM 278 CD2 LEU A 18 -37.365 -17.803 46.858 1.00 50.42 C ATOM 279 1HD2 LEU A 18 -38.086 -17.734 46.042 1.00 50.42 H ATOM 280 2HD2 LEU A 18 -37.397 -16.870 47.417 1.00 50.42 H ATOM 281 3HD2 LEU A 18 -37.645 -18.635 47.506 1.00 50.42 H ATOM 282 N ASN A 19 -35.057 -14.742 47.695 1.00 27.78 N ATOM 283 H ASN A 19 -35.687 -14.777 48.479 1.00 27.78 H ATOM 284 CA ASN A 19 -35.012 -13.547 46.848 1.00 27.78 C ATOM 285 HA ASN A 19 -34.026 -13.476 46.387 1.00 27.78 H ATOM 286 C ASN A 19 -35.247 -12.230 47.583 1.00 27.78 C ATOM 287 O ASN A 19 -34.430 -11.316 47.509 1.00 27.78 O ATOM 288 CB ASN A 19 -36.058 -13.708 45.738 1.00 27.78 C ATOM 289 1HB ASN A 19 -35.873 -14.646 45.216 1.00 27.78 H ATOM 290 2HB ASN A 19 -37.056 -13.746 46.173 1.00 27.78 H ATOM 291 CG ASN A 19 -36.021 -12.583 44.740 1.00 27.78 C ATOM 292 OD1 ASN A 19 -36.683 -11.575 44.899 1.00 27.78 O ATOM 293 ND2 ASN A 19 -35.265 -12.755 43.692 1.00 27.78 N ATOM 294 1HD2 ASN A 19 -35.232 -12.021 43.006 1.00 27.78 H ATOM 295 2HD2 ASN A 19 -34.744 -13.606 43.582 1.00 27.78 H ATOM 296 N ARG A 20 -36.367 -12.130 48.286 1.00 1.13 N ATOM 297 H ARG A 20 -37.008 -12.912 48.326 1.00 1.13 H ATOM 298 CA ARG A 20 -36.761 -10.934 49.031 1.00 1.13 C ATOM 299 HA ARG A 20 -35.896 -10.369 49.373 1.00 1.13 H ATOM 300 C ARG A 20 -37.539 -11.483 50.205 1.00 1.13 C ATOM 301 O ARG A 20 -38.109 -12.562 50.084 1.00 1.13 O ATOM 302 CB ARG A 20 -37.698 -10.053 48.195 1.00 1.13 C ATOM 303 1HB ARG A 20 -38.393 -10.708 47.668 1.00 1.13 H ATOM 304 2HB ARG A 20 -38.274 -9.420 48.870 1.00 1.13 H ATOM 305 CG ARG A 20 -36.998 -9.150 47.184 1.00 1.13 C ATOM 306 1HG ARG A 20 -36.513 -8.329 47.711 1.00 1.13 H ATOM 307 2HG ARG A 20 -36.239 -9.719 46.655 1.00 1.13 H ATOM 308 CD ARG A 20 -37.974 -8.600 46.156 1.00 1.13 C ATOM 309 1HD ARG A 20 -37.413 -8.023 45.419 1.00 1.13 H ATOM 310 2HD ARG A 20 -38.446 -9.443 45.646 1.00 1.13 H ATOM 311 NE ARG A 20 -39.016 -7.746 46.748 1.00 1.13 N ATOM 312 HE ARG A 20 -38.974 -7.617 47.746 1.00 1.13 H ATOM 313 CZ ARG A 20 -40.002 -7.148 46.092 1.00 1.13 C ATOM 314 NH1 ARG A 20 -40.854 -6.424 46.765 1.00 1.13 N ATOM 315 1HH1 ARG A 20 -40.762 -6.329 47.762 1.00 1.13 H ATOM 316 2HH1 ARG A 20 -41.602 -5.954 46.285 1.00 1.13 H ATOM 317 NH2 ARG A 20 -40.174 -7.246 44.798 1.00 1.13 N ATOM 318 1HH2 ARG A 20 -39.537 -7.808 44.256 1.00 1.13 H ATOM 319 2HH2 ARG A 20 -40.933 -6.769 44.345 1.00 1.13 H ATOM 320 N CYS A 21 -37.596 -10.742 51.298 1.00 2.05 N ATOM 321 H CYS A 21 -37.077 -9.885 51.359 1.00 2.05 H ATOM 322 CA CYS A 21 -38.497 -11.084 52.391 1.00 2.05 C ATOM 323 HA CYS A 21 -38.445 -12.152 52.594 1.00 2.05 H ATOM 324 C CYS A 21 -39.904 -10.695 51.934 1.00 2.05 C ATOM 325 O CYS A 21 -40.043 -9.728 51.171 1.00 2.05 O ATOM 326 CB CYS A 21 -38.119 -10.292 53.647 1.00 2.05 C ATOM 327 1HB CYS A 21 -38.228 -9.227 53.439 1.00 2.05 H ATOM 328 2HB CYS A 21 -38.807 -10.553 54.450 1.00 2.05 H ATOM 329 SG CYS A 21 -36.415 -10.610 54.203 1.00 2.05 S ATOM 330 N PRO A 22 -40.952 -11.408 52.385 1.00 1.11 N ATOM 331 CA PRO A 22 -42.273 -10.912 51.985 1.00 1.11 C ATOM 332 HA PRO A 22 -42.310 -10.720 50.913 1.00 1.11 H ATOM 333 C PRO A 22 -42.618 -9.638 52.756 1.00 1.11 C ATOM 334 O PRO A 22 -41.952 -9.285 53.735 1.00 1.11 O ATOM 335 CB PRO A 22 -43.194 -12.082 52.338 1.00 1.11 C ATOM 336 1HB PRO A 22 -44.202 -11.737 52.566 1.00 1.11 H ATOM 337 2HB PRO A 22 -43.211 -12.802 51.520 1.00 1.11 H ATOM 338 CG PRO A 22 -42.560 -12.675 53.522 1.00 1.11 C ATOM 339 1HG PRO A 22 -42.808 -12.080 54.396 1.00 1.11 H ATOM 340 2HG PRO A 22 -42.880 -13.708 53.661 1.00 1.11 H ATOM 341 CD PRO A 22 -41.078 -12.603 53.243 1.00 1.11 C ATOM 342 1HD PRO A 22 -40.515 -12.490 54.170 1.00 1.11 H ATOM 343 2HD PRO A 22 -40.758 -13.488 52.696 1.00 1.11 H ATOM 344 N GLY A 23 -43.652 -8.935 52.315 1.00 12.35 N ATOM 345 H GLY A 23 -44.202 -9.277 51.545 1.00 12.35 H ATOM 346 CA GLY A 23 -43.995 -7.660 52.926 1.00 12.35 C ATOM 347 1HA GLY A 23 -43.172 -6.969 52.744 1.00 12.35 H ATOM 348 2HA GLY A 23 -44.893 -7.261 52.455 1.00 12.35 H ATOM 349 C GLY A 23 -44.221 -7.733 54.425 1.00 12.35 C ATOM 350 O GLY A 23 -44.858 -8.673 54.917 1.00 12.35 O ATOM 351 N ARG A 24 -43.672 -6.726 55.106 1.00 -5.07 N ATOM 352 H ARG A 24 -43.179 -6.033 54.559 1.00 -5.07 H ATOM 353 CA ARG A 24 -43.657 -6.504 56.570 1.00 -5.07 C ATOM 354 HA ARG A 24 -43.416 -5.453 56.730 1.00 -5.07 H ATOM 355 C ARG A 24 -42.580 -7.292 57.309 1.00 -5.07 C ATOM 356 O ARG A 24 -42.267 -6.942 58.446 1.00 -5.07 O ATOM 357 CB ARG A 24 -45.004 -6.767 57.269 1.00 -5.07 C ATOM 358 1HB ARG A 24 -45.166 -7.841 57.259 1.00 -5.07 H ATOM 359 2HB ARG A 24 -44.921 -6.473 58.315 1.00 -5.07 H ATOM 360 CG ARG A 24 -46.226 -6.054 56.665 1.00 -5.07 C ATOM 361 1HG ARG A 24 -46.304 -5.052 57.086 1.00 -5.07 H ATOM 362 2HG ARG A 24 -46.112 -5.970 55.586 1.00 -5.07 H ATOM 363 CD ARG A 24 -47.508 -6.836 56.935 1.00 -5.07 C ATOM 364 1HD ARG A 24 -47.624 -6.980 58.011 1.00 -5.07 H ATOM 365 2HD ARG A 24 -48.358 -6.268 56.554 1.00 -5.07 H ATOM 366 NE ARG A 24 -47.447 -8.143 56.260 1.00 -5.07 N ATOM 367 HE ARG A 24 -46.582 -8.349 55.766 1.00 -5.07 H ATOM 368 CZ ARG A 24 -48.379 -9.085 56.251 1.00 -5.07 C ATOM 369 NH1 ARG A 24 -48.111 -10.199 55.632 1.00 -5.07 N ATOM 370 1HH1 ARG A 24 -47.213 -10.320 55.189 1.00 -5.07 H ATOM 371 2HH1 ARG A 24 -48.790 -10.940 55.603 1.00 -5.07 H ATOM 372 NH2 ARG A 24 -49.543 -8.963 56.836 1.00 -5.07 N ATOM 373 1HH2 ARG A 24 -49.770 -8.108 57.315 1.00 -5.07 H ATOM 374 2HH2 ARG A 24 -50.211 -9.714 56.801 1.00 -5.07 H ATOM 375 N MET A 25 -42.015 -8.332 56.714 1.00 7.92 N ATOM 376 H MET A 25 -42.274 -8.595 55.771 1.00 7.92 H ATOM 377 CA MET A 25 -40.951 -9.082 57.384 1.00 7.92 C ATOM 378 HA MET A 25 -41.184 -9.178 58.442 1.00 7.92 H ATOM 379 C MET A 25 -39.664 -8.280 57.253 1.00 7.92 C ATOM 380 O MET A 25 -39.465 -7.548 56.283 1.00 7.92 O ATOM 381 CB MET A 25 -40.790 -10.486 56.803 1.00 7.92 C ATOM 382 1HB MET A 25 -40.564 -10.406 55.742 1.00 7.92 H ATOM 383 2HB MET A 25 -39.953 -10.974 57.301 1.00 7.92 H ATOM 384 CG MET A 25 -42.039 -11.344 56.981 1.00 7.92 C ATOM 385 1HG MET A 25 -42.856 -10.876 56.433 1.00 7.92 H ATOM 386 2HG MET A 25 -41.853 -12.325 56.545 1.00 7.92 H ATOM 387 SD MET A 25 -42.565 -11.565 58.700 1.00 7.92 S ATOM 388 CE MET A 25 -41.317 -12.713 59.348 1.00 7.92 C ATOM 389 1HE MET A 25 -41.493 -12.883 60.411 1.00 7.92 H ATOM 390 2HE MET A 25 -40.321 -12.289 59.223 1.00 7.92 H ATOM 391 3HE MET A 25 -41.375 -13.662 58.817 1.00 7.92 H ATOM 392 N ARG A 26 -38.815 -8.369 58.263 1.00-17.65 N ATOM 393 H ARG A 26 -38.967 -9.077 58.991 1.00-17.65 H ATOM 394 CA ARG A 26 -37.656 -7.491 58.389 1.00-17.65 C ATOM 395 HA ARG A 26 -37.863 -6.544 57.890 1.00-17.65 H ATOM 396 C ARG A 26 -36.456 -8.151 57.734 1.00-17.65 C ATOM 397 O ARG A 26 -36.048 -9.225 58.149 1.00-17.65 O ATOM 398 CB ARG A 26 -37.355 -7.232 59.873 1.00-17.65 C ATOM 399 1HB ARG A 26 -37.093 -8.176 60.352 1.00-17.65 H ATOM 400 2HB ARG A 26 -36.484 -6.579 59.927 1.00-17.65 H ATOM 401 CG ARG A 26 -38.496 -6.573 60.673 1.00-17.65 C ATOM 402 1HG ARG A 26 -38.049 -5.881 61.386 1.00-17.65 H ATOM 403 2HG ARG A 26 -39.130 -5.999 59.996 1.00-17.65 H ATOM 404 CD ARG A 26 -39.361 -7.569 61.465 1.00-17.65 C ATOM 405 1HD ARG A 26 -38.850 -8.528 61.512 1.00-17.65 H ATOM 406 2HD ARG A 26 -39.472 -7.197 62.484 1.00-17.65 H ATOM 407 NE ARG A 26 -40.703 -7.754 60.886 1.00-17.65 N ATOM 408 HE ARG A 26 -40.970 -7.130 60.135 1.00-17.65 H ATOM 409 CZ ARG A 26 -41.608 -8.649 61.262 1.00-17.65 C ATOM 410 NH1 ARG A 26 -42.813 -8.539 60.787 1.00-17.65 N ATOM 411 1HH1 ARG A 26 -43.008 -7.801 60.123 1.00-17.65 H ATOM 412 2HH1 ARG A 26 -43.518 -9.200 61.050 1.00-17.65 H ATOM 413 NH2 ARG A 26 -41.380 -9.649 62.066 1.00-17.65 N ATOM 414 1HH2 ARG A 26 -40.413 -9.912 62.283 1.00-17.65 H ATOM 415 2HH2 ARG A 26 -42.126 -10.218 62.404 1.00-17.65 H ATOM 416 N GLN A 27 -35.867 -7.516 56.734 1.00-10.16 N ATOM 417 H GLN A 27 -36.245 -6.639 56.415 1.00-10.16 H ATOM 418 CA GLN A 27 -34.650 -8.036 56.108 1.00-10.16 C ATOM 419 HA GLN A 27 -34.741 -9.112 55.958 1.00-10.16 H ATOM 420 C GLN A 27 -33.477 -7.761 57.049 1.00-10.16 C ATOM 421 O GLN A 27 -33.017 -6.623 57.149 1.00-10.16 O ATOM 422 CB GLN A 27 -34.418 -7.338 54.761 1.00-10.16 C ATOM 423 1HB GLN A 27 -35.289 -7.502 54.126 1.00-10.16 H ATOM 424 2HB GLN A 27 -34.345 -6.269 54.954 1.00-10.16 H ATOM 425 CG GLN A 27 -33.163 -7.797 54.001 1.00-10.16 C ATOM 426 1HG GLN A 27 -32.310 -7.790 54.677 1.00-10.16 H ATOM 427 2HG GLN A 27 -33.318 -8.816 53.648 1.00-10.16 H ATOM 428 CD GLN A 27 -32.824 -6.905 52.816 1.00-10.16 C ATOM 429 OE1 GLN A 27 -32.626 -7.375 51.703 1.00-10.16 O ATOM 430 NE2 GLN A 27 -32.726 -5.622 53.044 1.00-10.16 N ATOM 431 1HE2 GLN A 27 -32.507 -5.009 52.277 1.00-10.16 H ATOM 432 2HE2 GLN A 27 -32.881 -5.255 53.969 1.00-10.16 H ATOM 433 N ILE A 28 -32.978 -8.777 57.741 1.00 12.90 N ATOM 434 H ILE A 28 -33.373 -9.710 57.630 1.00 12.90 H ATOM 435 CA ILE A 28 -31.887 -8.568 58.696 1.00 12.90 C ATOM 436 HA ILE A 28 -31.847 -7.504 58.918 1.00 12.90 H ATOM 437 C ILE A 28 -30.517 -8.934 58.132 1.00 12.90 C ATOM 438 O ILE A 28 -29.488 -8.565 58.722 1.00 12.90 O ATOM 439 CB ILE A 28 -32.151 -9.277 60.054 1.00 12.90 C ATOM 440 HB ILE A 28 -31.353 -8.986 60.732 1.00 12.90 H ATOM 441 CG1 ILE A 28 -32.118 -10.811 59.929 1.00 12.90 C ATOM 442 1HG1 ILE A 28 -33.007 -11.144 59.393 1.00 12.90 H ATOM 443 2HG1 ILE A 28 -31.243 -11.102 59.350 1.00 12.90 H ATOM 444 CG2 ILE A 28 -33.483 -8.772 60.653 1.00 12.90 C ATOM 445 1HG2 ILE A 28 -33.568 -9.093 61.692 1.00 12.90 H ATOM 446 2HG2 ILE A 28 -34.331 -9.175 60.094 1.00 12.90 H ATOM 447 3HG2 ILE A 28 -33.528 -7.683 60.625 1.00 12.90 H ATOM 448 CD1 ILE A 28 -32.049 -11.549 61.272 1.00 12.90 C ATOM 449 1HD1 ILE A 28 -31.931 -12.617 61.104 1.00 12.90 H ATOM 450 2HD1 ILE A 28 -32.963 -11.393 61.828 1.00 12.90 H ATOM 451 3HD1 ILE A 28 -31.206 -11.187 61.860 1.00 12.90 H ATOM 452 N GLY A 29 -30.482 -9.604 56.988 1.00 -7.17 N ATOM 453 H GLY A 29 -31.345 -9.888 56.534 1.00 -7.17 H ATOM 454 CA GLY A 29 -29.223 -9.983 56.367 1.00 -7.17 C ATOM 455 1HA GLY A 29 -28.756 -9.108 55.919 1.00 -7.17 H ATOM 456 2HA GLY A 29 -28.557 -10.376 57.128 1.00 -7.17 H ATOM 457 C GLY A 29 -29.415 -11.038 55.298 1.00 -7.17 C ATOM 458 O GLY A 29 -30.444 -11.030 54.628 1.00 -7.17 O ATOM 459 N THR A 30 -28.453 -11.938 55.144 1.00 13.12 N ATOM 460 H THR A 30 -27.635 -11.892 55.752 1.00 13.12 H ATOM 461 CA THR A 30 -28.491 -13.025 54.161 1.00 13.12 C ATOM 462 HA THR A 30 -29.495 -13.129 53.758 1.00 13.12 H ATOM 463 C THR A 30 -28.090 -14.361 54.786 1.00 13.12 C ATOM 464 O THR A 30 -27.298 -14.405 55.729 1.00 13.12 O ATOM 465 CB THR A 30 -27.519 -12.748 52.996 1.00 13.12 C ATOM 466 HB THR A 30 -27.421 -13.642 52.380 1.00 13.12 H ATOM 467 OG1 THR A 30 -26.246 -12.376 53.532 1.00 13.12 O ATOM 468 HG1 THR A 30 -26.395 -11.677 54.176 1.00 13.12 H ATOM 469 CG2 THR A 30 -27.991 -11.597 52.124 1.00 13.12 C ATOM 470 1HG2 THR A 30 -27.280 -11.454 51.311 1.00 13.12 H ATOM 471 2HG2 THR A 30 -28.064 -10.679 52.706 1.00 13.12 H ATOM 472 3HG2 THR A 30 -28.966 -11.842 51.701 1.00 13.12 H ATOM 473 N CYS A 31 -28.607 -15.456 54.247 1.00 23.14 N ATOM 474 H CYS A 31 -29.200 -15.368 53.422 1.00 23.14 H ATOM 475 CA CYS A 31 -28.343 -16.800 54.769 1.00 23.14 C ATOM 476 HA CYS A 31 -28.109 -16.726 55.831 1.00 23.14 H ATOM 477 C CYS A 31 -27.149 -17.442 54.063 1.00 23.14 C ATOM 478 O CYS A 31 -27.264 -18.533 53.514 1.00 23.14 O ATOM 479 CB CYS A 31 -29.570 -17.702 54.613 1.00 23.14 C ATOM 480 1HB CYS A 31 -29.838 -17.764 53.560 1.00 23.14 H ATOM 481 2HB CYS A 31 -29.306 -18.702 54.957 1.00 23.14 H ATOM 482 SG CYS A 31 -31.007 -17.135 55.571 1.00 23.14 S ATOM 483 N LEU A 32 -26.026 -16.732 54.077 1.00 36.89 N ATOM 484 H LEU A 32 -26.058 -15.849 54.574 1.00 36.89 H ATOM 485 CA LEU A 32 -24.748 -17.072 53.415 1.00 36.89 C ATOM 486 HA LEU A 32 -24.028 -16.328 53.745 1.00 36.89 H ATOM 487 C LEU A 32 -24.764 -16.993 51.892 1.00 36.89 C ATOM 488 O LEU A 32 -23.907 -16.332 51.301 1.00 36.89 O ATOM 489 CB LEU A 32 -24.210 -18.460 53.822 1.00 36.89 C ATOM 490 1HB LEU A 32 -24.328 -18.588 54.890 1.00 36.89 H ATOM 491 2HB LEU A 32 -24.832 -19.214 53.341 1.00 36.89 H ATOM 492 CG LEU A 32 -22.750 -18.786 53.465 1.00 36.89 C ATOM 493 HG LEU A 32 -22.605 -18.620 52.400 1.00 36.89 H ATOM 494 CD1 LEU A 32 -21.743 -17.928 54.234 1.00 36.89 C ATOM 495 1HD1 LEU A 32 -20.730 -18.192 53.924 1.00 36.89 H ATOM 496 2HD1 LEU A 32 -21.841 -18.091 55.305 1.00 36.89 H ATOM 497 3HD1 LEU A 32 -21.903 -16.873 54.017 1.00 36.89 H ATOM 498 CD2 LEU A 32 -22.481 -20.259 53.757 1.00 36.89 C ATOM 499 1HD2 LEU A 32 -21.462 -20.510 53.455 1.00 36.89 H ATOM 500 2HD2 LEU A 32 -23.168 -20.882 53.182 1.00 36.89 H ATOM 501 3HD2 LEU A 32 -22.600 -20.472 54.819 1.00 36.89 H ATOM 502 N ALA A 33 -25.715 -17.664 51.267 1.00 9.29 N ATOM 503 H ALA A 33 -26.406 -18.165 51.817 1.00 9.29 H ATOM 504 CA ALA A 33 -25.799 -17.715 49.816 1.00 9.29 C ATOM 505 HA ALA A 33 -24.826 -18.018 49.432 1.00 9.29 H ATOM 506 C ALA A 33 -26.162 -16.333 49.249 1.00 9.29 C ATOM 507 O ALA A 33 -26.878 -15.559 49.901 1.00 9.29 O ATOM 508 CB ALA A 33 -26.842 -18.767 49.414 1.00 9.29 C ATOM 509 1HB ALA A 33 -26.526 -19.753 49.757 1.00 9.29 H ATOM 510 2HB ALA A 33 -26.950 -18.783 48.328 1.00 9.29 H ATOM 511 3HB ALA A 33 -27.803 -18.520 49.863 1.00 9.29 H ATOM 512 N PRO A 34 -25.691 -16.010 48.029 1.00-10.10 N ATOM 513 CA PRO A 34 -26.198 -14.774 47.420 1.00-10.10 C ATOM 514 HA PRO A 34 -25.937 -13.911 48.030 1.00-10.10 H ATOM 515 C PRO A 34 -27.704 -14.854 47.205 1.00-10.10 C ATOM 516 O PRO A 34 -28.244 -15.948 47.058 1.00-10.10 O ATOM 517 CB PRO A 34 -25.479 -14.732 46.065 1.00-10.10 C ATOM 518 1HB PRO A 34 -26.113 -15.174 45.296 1.00-10.10 H ATOM 519 2HB PRO A 34 -25.209 -13.711 45.798 1.00-10.10 H ATOM 520 CG PRO A 34 -24.268 -15.568 46.261 1.00-10.10 C ATOM 521 1HG PRO A 34 -23.882 -15.930 45.308 1.00-10.10 H ATOM 522 2HG PRO A 34 -23.506 -15.001 46.798 1.00-10.10 H ATOM 523 CD PRO A 34 -24.767 -16.699 47.108 1.00-10.10 C ATOM 524 1HD PRO A 34 -25.308 -17.431 46.504 1.00-10.10 H ATOM 525 2HD PRO A 34 -23.941 -17.166 47.646 1.00-10.10 H ATOM 526 N ARG A 35 -28.356 -13.693 47.180 1.00 17.32 N ATOM 527 H ARG A 35 -27.803 -12.859 47.294 1.00 17.32 H ATOM 528 CA ARG A 35 -29.819 -13.508 47.038 1.00 17.32 C ATOM 529 HA ARG A 35 -30.005 -12.437 46.977 1.00 17.32 H ATOM 530 C ARG A 35 -30.675 -14.006 48.200 1.00 17.32 C ATOM 531 O ARG A 35 -31.674 -13.367 48.511 1.00 17.32 O ATOM 532 CB ARG A 35 -30.384 -14.136 45.753 1.00 17.32 C ATOM 533 1HB ARG A 35 -30.309 -15.220 45.835 1.00 17.32 H ATOM 534 2HB ARG A 35 -31.444 -13.888 45.691 1.00 17.32 H ATOM 535 CG ARG A 35 -29.716 -13.711 44.456 1.00 17.32 C ATOM 536 1HG ARG A 35 -29.865 -12.642 44.299 1.00 17.32 H ATOM 537 2HG ARG A 35 -28.649 -13.928 44.503 1.00 17.32 H ATOM 538 CD ARG A 35 -30.323 -14.492 43.300 1.00 17.32 C ATOM 539 1HD ARG A 35 -30.221 -15.558 43.513 1.00 17.32 H ATOM 540 2HD ARG A 35 -31.384 -14.250 43.227 1.00 17.32 H ATOM 541 NE ARG A 35 -29.664 -14.192 42.018 1.00 17.32 N ATOM 542 HE ARG A 35 -28.948 -13.485 42.039 1.00 17.32 H ATOM 543 CZ ARG A 35 -29.921 -14.769 40.851 1.00 17.32 C ATOM 544 NH1 ARG A 35 -29.254 -14.382 39.798 1.00 17.32 N ATOM 545 1HH1 ARG A 35 -28.564 -13.655 39.871 1.00 17.32 H ATOM 546 2HH1 ARG A 35 -29.425 -14.817 38.907 1.00 17.32 H ATOM 547 NH2 ARG A 35 -30.804 -15.722 40.693 1.00 17.32 N ATOM 548 1HH2 ARG A 35 -31.329 -16.048 41.488 1.00 17.32 H ATOM 549 2HH2 ARG A 35 -30.956 -16.134 39.788 1.00 17.32 H ATOM 550 N VAL A 36 -30.291 -15.096 48.844 1.00 13.87 N ATOM 551 H VAL A 36 -29.439 -15.566 48.558 1.00 13.87 H ATOM 552 CA VAL A 36 -31.080 -15.676 49.926 1.00 13.87 C ATOM 553 HA VAL A 36 -32.112 -15.707 49.589 1.00 13.87 H ATOM 554 C VAL A 36 -31.013 -14.789 51.164 1.00 13.87 C ATOM 555 O VAL A 36 -29.982 -14.655 51.821 1.00 13.87 O ATOM 556 CB VAL A 36 -30.634 -17.124 50.263 1.00 13.87 C ATOM 557 HB VAL A 36 -29.632 -17.094 50.690 1.00 13.87 H ATOM 558 CG1 VAL A 36 -31.589 -17.766 51.278 1.00 13.87 C ATOM 559 1HG1 VAL A 36 -31.238 -18.767 51.528 1.00 13.87 H ATOM 560 2HG1 VAL A 36 -32.595 -17.833 50.863 1.00 13.87 H ATOM 561 3HG1 VAL A 36 -31.623 -17.172 52.191 1.00 13.87 H ATOM 562 CG2 VAL A 36 -30.586 -17.991 48.989 1.00 13.87 C ATOM 563 1HG2 VAL A 36 -30.371 -19.026 49.255 1.00 13.87 H ATOM 564 2HG2 VAL A 36 -29.793 -17.643 48.327 1.00 13.87 H ATOM 565 3HG2 VAL A 36 -31.534 -17.950 48.457 1.00 13.87 H ATOM 566 N LYS A 37 -32.127 -14.143 51.456 1.00 -8.93 N ATOM 567 H LYS A 37 -32.955 -14.347 50.899 1.00 -8.93 H ATOM 568 CA LYS A 37 -32.251 -13.183 52.544 1.00 -8.93 C ATOM 569 HA LYS A 37 -31.344 -12.587 52.623 1.00 -8.93 H ATOM 570 C LYS A 37 -32.497 -13.921 53.836 1.00 -8.93 C ATOM 571 O LYS A 37 -33.202 -14.919 53.837 1.00 -8.93 O ATOM 572 CB LYS A 37 -33.467 -12.286 52.302 1.00 -8.93 C ATOM 573 1HB LYS A 37 -34.362 -12.908 52.348 1.00 -8.93 H ATOM 574 2HB LYS A 37 -33.521 -11.553 53.107 1.00 -8.93 H ATOM 575 CG LYS A 37 -33.485 -11.557 50.971 1.00 -8.93 C ATOM 576 1HG LYS A 37 -33.487 -12.278 50.156 1.00 -8.93 H ATOM 577 2HG LYS A 37 -34.405 -10.978 50.918 1.00 -8.93 H ATOM 578 CD LYS A 37 -32.312 -10.611 50.801 1.00 -8.93 C ATOM 579 1HD LYS A 37 -32.298 -9.920 51.642 1.00 -8.93 H ATOM 580 2HD LYS A 37 -31.376 -11.168 50.776 1.00 -8.93 H ATOM 581 CE LYS A 37 -32.463 -9.835 49.507 1.00 -8.93 C ATOM 582 1HE LYS A 37 -32.374 -10.526 48.664 1.00 -8.93 H ATOM 583 2HE LYS A 37 -33.456 -9.382 49.481 1.00 -8.93 H ATOM 584 NZ LYS A 37 -31.440 -8.754 49.405 1.00 -8.93 N ATOM 585 1HZ LYS A 37 -31.537 -8.272 48.523 1.00 -8.93 H ATOM 586 2HZ LYS A 37 -30.514 -9.147 49.480 1.00 -8.93 H ATOM 587 3HZ LYS A 37 -31.590 -8.092 50.164 1.00 -8.93 H ATOM 588 N CYS A 38 -31.994 -13.370 54.924 1.00-24.17 N ATOM 589 H CYS A 38 -31.412 -12.545 54.833 1.00-24.17 H ATOM 590 CA CYS A 38 -32.385 -13.779 56.261 1.00-24.17 C ATOM 591 HA CYS A 38 -32.847 -14.766 56.246 1.00-24.17 H ATOM 592 C CYS A 38 -33.409 -12.731 56.670 1.00-24.17 C ATOM 593 O CYS A 38 -33.119 -11.521 56.641 1.00-24.17 O ATOM 594 CB CYS A 38 -31.205 -13.770 57.231 1.00-24.17 C ATOM 595 1HB CYS A 38 -30.437 -14.455 56.874 1.00-24.17 H ATOM 596 2HB CYS A 38 -30.794 -12.763 57.270 1.00-24.17 H ATOM 597 SG CYS A 38 -31.715 -14.254 58.910 1.00-24.17 S ATOM 598 N CYS A 39 -34.598 -13.197 57.004 1.00-22.45 N ATOM 599 H CYS A 39 -34.743 -14.206 57.035 1.00-22.45 H ATOM 600 CA CYS A 39 -35.728 -12.353 57.350 1.00-22.45 C ATOM 601 HA CYS A 39 -35.450 -11.309 57.251 1.00-22.45 H ATOM 602 C CYS A 39 -36.102 -12.670 58.791 1.00-22.45 C ATOM 603 O CYS A 39 -35.804 -13.764 59.265 1.00-22.45 O ATOM 604 CB CYS A 39 -36.893 -12.670 56.413 1.00-22.45 C ATOM 605 1HB CYS A 39 -37.230 -13.684 56.624 1.00-22.45 H ATOM 606 2HB CYS A 39 -37.714 -11.981 56.608 1.00-22.45 H ATOM 607 SG CYS A 39 -36.412 -12.586 54.657 1.00-22.45 S ATOM 608 N ARG A 40 -36.748 -11.743 59.480 1.00 0.75 N ATOM 609 H ARG A 40 -37.005 -10.865 59.038 1.00 0.75 H ATOM 610 CA ARG A 40 -37.127 -11.901 60.883 1.00 0.75 C ATOM 611 HA ARG A 40 -37.286 -12.949 61.134 1.00 0.75 H ATOM 612 C ARG A 40 -38.414 -11.129 61.043 1.00 0.75 C ATOM 613 O ARG A 40 -38.803 -10.519 60.023 1.00 0.75 O ATOM 614 OXT ARG A 40 -38.979 -11.062 62.146 1.00 0.75 O ATOM 615 CB ARG A 40 -36.052 -11.287 61.779 1.00 0.75 C ATOM 616 1HB ARG A 40 -35.113 -11.293 61.233 1.00 0.75 H ATOM 617 2HB ARG A 40 -36.323 -10.250 61.981 1.00 0.75 H ATOM 618 CG ARG A 40 -35.839 -12.013 63.096 1.00 0.75 C ATOM 619 1HG ARG A 40 -36.796 -12.168 63.594 1.00 0.75 H ATOM 620 2HG ARG A 40 -35.376 -12.979 62.894 1.00 0.75 H ATOM 621 CD ARG A 40 -34.930 -11.193 64.000 1.00 0.75 C ATOM 622 1HD ARG A 40 -34.086 -10.829 63.420 1.00 0.75 H ATOM 623 2HD ARG A 40 -35.487 -10.334 64.375 1.00 0.75 H ATOM 624 NE ARG A 40 -34.416 -11.978 65.127 1.00 0.75 N ATOM 625 HE ARG A 40 -34.685 -12.955 65.161 1.00 0.75 H ATOM 626 CZ ARG A 40 -33.620 -11.542 66.090 1.00 0.75 C ATOM 627 NH1 ARG A 40 -33.338 -12.349 67.070 1.00 0.75 N ATOM 628 1HH1 ARG A 40 -33.690 -13.297 67.031 1.00 0.75 H ATOM 629 2HH1 ARG A 40 -32.749 -12.048 67.822 1.00 0.75 H ATOM 630 NH2 ARG A 40 -33.085 -10.350 66.113 1.00 0.75 N ATOM 631 1HH2 ARG A 40 -33.197 -9.746 65.312 1.00 0.75 H ATOM 632 2HH2 ARG A 40 -32.527 -10.066 66.894 1.00 0.75 H TER 633 ARG A 40 CONECT 138 135 597 CONECT 243 240 482 CONECT 329 326 607 CONECT 482 243 479 CONECT 597 138 594 CONECT 607 329 604 END
SEQUENCE	QGVRSYLSCWGNRGICLLNRCPGRMRQIGTCLAPRVKCCR
HELICITY	25.00	INSTAB. INDEX	43.31	FLEXIBILITY	13.95
a HYD. MOM.	96.39	b HYD. MOM.	39.61	c HYD. MOM	7.48
a MEAN HYD. MOM.	2.41	b MEAN HYD. MOM.	0.99	c MEAN HYD. MOM.	0.19
CHARGE pH5	8.00	CHARGE pH7	7.73	CHARGE pH9	2.76
Δ CHARGE pH5-pH9	5.24	ISOELECTRIC POINT	10.21	BOMAN INDEX	2.18
ΔG	15	CPP	-0,17	MLP	-5,60
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