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ID	2264	NAME	AOD   Blast NCBI-PROT
LENGTH	38	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\GFGCPWNRYQCHSHCRSIGRLGGYCAGSLRLTCTCYRS.pdb REMARK YASARA Written on: Wed May 14 17:32:33 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 570 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: DEFENSIN; COMPND 3 CHAIN: A; SEQRES 1 A 38 GLY PHE GLY CYS PRO TRP ASN ARG TYR GLN CYS HIS SER SEQRES 2 A 38 HIS CYS ARG SER ILE GLY ARG LEU GLY GLY TYR CYS ALA SEQRES 3 A 38 GLY SER LEU ARG LEU THR CYS THR CYS TYR ARG SER CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 SSBOND 1 CYS A 4 CYS A 25 2.03 SSBOND 3 CYS A 11 CYS A 33 2.03 SSBOND 5 CYS A 15 CYS A 35 2.03 ATOM 1 N GLY A 1 -0.102 -44.091 -8.072 1.00-12.72 N ATOM 2 1H GLY A 1 -1.090 -44.184 -7.880 1.00-12.72 H ATOM 3 2H GLY A 1 0.098 -43.129 -8.311 1.00-12.72 H ATOM 4 3H GLY A 1 0.433 -44.354 -7.257 1.00-12.72 H ATOM 5 CA GLY A 1 0.264 -44.965 -9.213 1.00-12.72 C ATOM 6 1HA GLY A 1 0.015 -45.997 -8.975 1.00-12.72 H ATOM 7 2HA GLY A 1 -0.297 -44.644 -10.090 1.00-12.72 H ATOM 8 C GLY A 1 1.732 -44.857 -9.497 1.00-12.72 C ATOM 9 O GLY A 1 2.455 -44.506 -8.575 1.00-12.72 O ATOM 10 N PHE A 2 2.200 -45.108 -10.714 1.00 -8.10 N ATOM 11 H PHE A 2 1.591 -45.400 -11.464 1.00 -8.10 H ATOM 12 CA PHE A 2 3.614 -44.893 -11.024 1.00 -8.10 C ATOM 13 HA PHE A 2 4.224 -45.158 -10.160 1.00 -8.10 H ATOM 14 C PHE A 2 3.765 -43.403 -11.311 1.00 -8.10 C ATOM 15 O PHE A 2 3.672 -42.966 -12.454 1.00 -8.10 O ATOM 16 CB PHE A 2 4.081 -45.707 -12.235 1.00 -8.10 C ATOM 17 1HB PHE A 2 3.599 -45.334 -13.132 1.00 -8.10 H ATOM 18 2HB PHE A 2 5.152 -45.556 -12.344 1.00 -8.10 H ATOM 19 CG PHE A 2 3.792 -47.184 -12.147 1.00 -8.10 C ATOM 20 CD1 PHE A 2 3.318 -47.862 -13.287 1.00 -8.10 C ATOM 21 HD1 PHE A 2 3.174 -47.324 -14.214 1.00 -8.10 H ATOM 22 CD2 PHE A 2 4.012 -47.913 -10.963 1.00 -8.10 C ATOM 23 HD2 PHE A 2 4.410 -47.422 -10.087 1.00 -8.10 H ATOM 24 CE1 PHE A 2 3.039 -49.248 -13.247 1.00 -8.10 C ATOM 25 HE1 PHE A 2 2.679 -49.755 -14.131 1.00 -8.10 H ATOM 26 CE2 PHE A 2 3.734 -49.302 -10.906 1.00 -8.10 C ATOM 27 HE2 PHE A 2 3.907 -49.852 -9.993 1.00 -8.10 H ATOM 28 CZ PHE A 2 3.246 -49.969 -12.052 1.00 -8.10 C ATOM 29 HZ PHE A 2 3.036 -51.029 -12.015 1.00 -8.10 H ATOM 30 N GLY A 3 3.873 -42.608 -10.257 1.00 26.38 N ATOM 31 H GLY A 3 3.887 -43.019 -9.331 1.00 26.38 H ATOM 32 CA GLY A 3 3.896 -41.158 -10.370 1.00 26.38 C ATOM 33 1HA GLY A 3 4.307 -40.741 -9.451 1.00 26.38 H ATOM 34 2HA GLY A 3 4.545 -40.873 -11.194 1.00 26.38 H ATOM 35 C GLY A 3 2.530 -40.537 -10.603 1.00 26.38 C ATOM 36 O GLY A 3 2.177 -39.584 -9.924 1.00 26.38 O ATOM 37 N CYS A 4 1.757 -41.064 -11.543 1.00 47.27 N ATOM 38 H CYS A 4 2.111 -41.847 -12.080 1.00 47.27 H ATOM 39 CA CYS A 4 0.422 -40.546 -11.823 1.00 47.27 C ATOM 40 HA CYS A 4 0.507 -39.474 -11.955 1.00 47.27 H ATOM 41 C CYS A 4 -0.451 -40.851 -10.593 1.00 47.27 C ATOM 42 O CYS A 4 -0.252 -41.903 -9.965 1.00 47.27 O ATOM 43 CB CYS A 4 -0.118 -41.160 -13.120 1.00 47.27 C ATOM 44 1HB CYS A 4 0.742 -41.434 -13.726 1.00 47.27 H ATOM 45 2HB CYS A 4 -0.686 -42.063 -12.890 1.00 47.27 H ATOM 46 SG CYS A 4 -1.139 -40.027 -14.122 1.00 47.27 S ATOM 47 N PRO A 5 -1.358 -39.943 -10.182 1.00 19.84 N ATOM 48 CA PRO A 5 -2.076 -38.894 -10.922 1.00 19.84 C ATOM 49 HA PRO A 5 -2.569 -39.339 -11.781 1.00 19.84 H ATOM 50 C PRO A 5 -1.223 -37.732 -11.419 1.00 19.84 C ATOM 51 O PRO A 5 -0.192 -37.398 -10.848 1.00 19.84 O ATOM 52 CB PRO A 5 -3.143 -38.444 -9.922 1.00 19.84 C ATOM 53 1HB PRO A 5 -3.411 -37.401 -10.078 1.00 19.84 H ATOM 54 2HB PRO A 5 -4.025 -39.081 -10.002 1.00 19.84 H ATOM 55 CG PRO A 5 -2.499 -38.644 -8.611 1.00 19.84 C ATOM 56 1HG PRO A 5 -1.792 -37.837 -8.416 1.00 19.84 H ATOM 57 2HG PRO A 5 -3.243 -38.703 -7.816 1.00 19.84 H ATOM 58 CD PRO A 5 -1.773 -39.958 -8.768 1.00 19.84 C ATOM 59 1HD PRO A 5 -0.908 -39.996 -8.106 1.00 19.84 H ATOM 60 2HD PRO A 5 -2.444 -40.795 -8.580 1.00 19.84 H ATOM 61 N TRP A 6 -1.663 -37.179 -12.543 1.00 -9.80 N ATOM 62 H TRP A 6 -2.529 -37.529 -12.914 1.00 -9.80 H ATOM 63 CA TRP A 6 -1.003 -36.117 -13.320 1.00 -9.80 C ATOM 64 HA TRP A 6 -1.664 -35.916 -14.162 1.00 -9.80 H ATOM 65 C TRP A 6 0.362 -36.432 -13.950 1.00 -9.80 C ATOM 66 O TRP A 6 0.603 -36.061 -15.104 1.00 -9.80 O ATOM 67 CB TRP A 6 -0.943 -34.813 -12.515 1.00 -9.80 C ATOM 68 1HB TRP A 6 -0.039 -34.812 -11.906 1.00 -9.80 H ATOM 69 2HB TRP A 6 -0.896 -33.972 -13.207 1.00 -9.80 H ATOM 70 CG TRP A 6 -2.130 -34.644 -11.601 1.00 -9.80 C ATOM 71 CD1 TRP A 6 -2.123 -34.698 -10.242 1.00 -9.80 C ATOM 72 HD1 TRP A 6 -1.228 -34.859 -9.651 1.00 -9.80 H ATOM 73 CD2 TRP A 6 -3.505 -34.423 -11.967 1.00 -9.80 C ATOM 74 NE1 TRP A 6 -3.377 -34.537 -9.725 1.00 -9.80 N ATOM 75 HE1 TRP A 6 -3.587 -34.527 -8.737 1.00 -9.80 H ATOM 76 CE2 TRP A 6 -4.261 -34.384 -10.758 1.00 -9.80 C ATOM 77 CE3 TRP A 6 -4.184 -34.276 -13.195 1.00 -9.80 C ATOM 78 HE3 TRP A 6 -3.636 -34.293 -14.125 1.00 -9.80 H ATOM 79 CZ2 TRP A 6 -5.659 -34.201 -10.748 1.00 -9.80 C ATOM 80 HZ2 TRP A 6 -6.205 -34.166 -9.816 1.00 -9.80 H ATOM 81 CZ3 TRP A 6 -5.590 -34.082 -13.189 1.00 -9.80 C ATOM 82 HZ3 TRP A 6 -6.115 -33.944 -14.123 1.00 -9.80 H ATOM 83 CH2 TRP A 6 -6.310 -34.044 -11.958 1.00 -9.80 C ATOM 84 HH2 TRP A 6 -7.377 -33.875 -11.970 1.00 -9.80 H ATOM 85 N ASN A 7 1.234 -37.165 -13.268 1.00 17.66 N ATOM 86 H ASN A 7 0.994 -37.443 -12.316 1.00 17.66 H ATOM 87 CA ASN A 7 2.532 -37.562 -13.825 1.00 17.66 C ATOM 88 HA ASN A 7 2.900 -36.714 -14.403 1.00 17.66 H ATOM 89 C ASN A 7 2.445 -38.749 -14.797 1.00 17.66 C ATOM 90 O ASN A 7 2.873 -39.879 -14.551 1.00 17.66 O ATOM 91 CB ASN A 7 3.562 -37.822 -12.727 1.00 17.66 C ATOM 92 1HB ASN A 7 3.507 -37.021 -11.991 1.00 17.66 H ATOM 93 2HB ASN A 7 3.332 -38.758 -12.238 1.00 17.66 H ATOM 94 CG ASN A 7 4.971 -37.891 -13.263 1.00 17.66 C ATOM 95 OD1 ASN A 7 5.199 -37.994 -14.464 1.00 17.66 O ATOM 96 ND2 ASN A 7 5.930 -37.818 -12.385 1.00 17.66 N ATOM 97 1HD2 ASN A 7 6.884 -37.854 -12.705 1.00 17.66 H ATOM 98 2HD2 ASN A 7 5.714 -37.720 -11.407 1.00 17.66 H ATOM 99 N ARG A 8 1.920 -38.415 -15.963 1.00 -0.16 N ATOM 100 H ARG A 8 1.522 -37.479 -16.026 1.00 -0.16 H ATOM 101 CA ARG A 8 1.862 -39.279 -17.143 1.00 -0.16 C ATOM 102 HA ARG A 8 1.283 -40.169 -16.900 1.00 -0.16 H ATOM 103 C ARG A 8 3.227 -39.758 -17.624 1.00 -0.16 C ATOM 104 O ARG A 8 3.331 -40.784 -18.303 1.00 -0.16 O ATOM 105 CB ARG A 8 1.132 -38.491 -18.245 1.00 -0.16 C ATOM 106 1HB ARG A 8 1.003 -39.125 -19.123 1.00 -0.16 H ATOM 107 2HB ARG A 8 0.143 -38.242 -17.858 1.00 -0.16 H ATOM 108 CG ARG A 8 1.818 -37.171 -18.664 1.00 -0.16 C ATOM 109 1HG ARG A 8 2.269 -36.711 -17.787 1.00 -0.16 H ATOM 110 2HG ARG A 8 2.612 -37.380 -19.381 1.00 -0.16 H ATOM 111 CD ARG A 8 0.848 -36.142 -19.246 1.00 -0.16 C ATOM 112 1HD ARG A 8 -0.013 -36.065 -18.580 1.00 -0.16 H ATOM 113 2HD ARG A 8 1.341 -35.170 -19.255 1.00 -0.16 H ATOM 114 NE ARG A 8 0.380 -36.450 -20.607 1.00 -0.16 N ATOM 115 HE ARG A 8 -0.430 -37.044 -20.676 1.00 -0.16 H ATOM 116 CZ ARG A 8 0.888 -35.978 -21.741 1.00 -0.16 C ATOM 117 NH1 ARG A 8 0.327 -36.324 -22.866 1.00 -0.16 N ATOM 118 1HH1 ARG A 8 -0.480 -36.924 -22.872 1.00 -0.16 H ATOM 119 2HH1 ARG A 8 0.690 -35.973 -23.736 1.00 -0.16 H ATOM 120 NH2 ARG A 8 1.913 -35.166 -21.808 1.00 -0.16 N ATOM 121 1HH2 ARG A 8 2.374 -34.859 -20.963 1.00 -0.16 H ATOM 122 2HH2 ARG A 8 2.236 -34.825 -22.698 1.00 -0.16 H ATOM 123 N TYR A 9 4.280 -39.025 -17.306 1.00-24.75 N ATOM 124 H TYR A 9 4.173 -38.213 -16.715 1.00-24.75 H ATOM 125 CA TYR A 9 5.610 -39.351 -17.801 1.00-24.75 C ATOM 126 HA TYR A 9 5.537 -39.597 -18.859 1.00-24.75 H ATOM 127 C TYR A 9 6.164 -40.555 -17.054 1.00-24.75 C ATOM 128 O TYR A 9 6.699 -41.478 -17.665 1.00-24.75 O ATOM 129 CB TYR A 9 6.516 -38.129 -17.650 1.00-24.75 C ATOM 130 1HB TYR A 9 6.741 -37.972 -16.596 1.00-24.75 H ATOM 131 2HB TYR A 9 7.450 -38.305 -18.184 1.00-24.75 H ATOM 132 CG TYR A 9 5.841 -36.887 -18.192 1.00-24.75 C ATOM 133 CD1 TYR A 9 5.310 -35.912 -17.318 1.00-24.75 C ATOM 134 HD1 TYR A 9 5.448 -36.016 -16.249 1.00-24.75 H ATOM 135 CD2 TYR A 9 5.682 -36.702 -19.580 1.00-24.75 C ATOM 136 HD2 TYR A 9 6.112 -37.415 -20.270 1.00-24.75 H ATOM 137 CE1 TYR A 9 4.590 -34.796 -17.824 1.00-24.75 C ATOM 138 HE1 TYR A 9 4.179 -34.063 -17.144 1.00-24.75 H ATOM 139 CE2 TYR A 9 4.962 -35.589 -20.088 1.00-24.75 C ATOM 140 HE2 TYR A 9 4.851 -35.454 -21.153 1.00-24.75 H ATOM 141 CZ TYR A 9 4.410 -34.659 -19.203 1.00-24.75 C ATOM 142 OH TYR A 9 3.666 -33.623 -19.709 1.00-24.75 O ATOM 143 HH TYR A 9 3.453 -32.963 -19.041 1.00-24.75 H ATOM 144 N GLN A 10 5.957 -40.595 -15.747 1.00 -9.02 N ATOM 145 H GLN A 10 5.490 -39.822 -15.280 1.00 -9.02 H ATOM 146 CA GLN A 10 6.445 -41.714 -14.947 1.00 -9.02 C ATOM 147 HA GLN A 10 7.486 -41.870 -15.219 1.00 -9.02 H ATOM 148 C GLN A 10 5.713 -43.023 -15.239 1.00 -9.02 C ATOM 149 O GLN A 10 6.322 -44.085 -15.182 1.00 -9.02 O ATOM 150 CB GLN A 10 6.426 -41.355 -13.459 1.00 -9.02 C ATOM 151 1HB GLN A 10 6.974 -40.422 -13.336 1.00 -9.02 H ATOM 152 2HB GLN A 10 5.396 -41.182 -13.159 1.00 -9.02 H ATOM 153 CG GLN A 10 7.049 -42.407 -12.519 1.00 -9.02 C ATOM 154 1HG GLN A 10 6.988 -42.041 -11.495 1.00 -9.02 H ATOM 155 2HG GLN A 10 6.470 -43.326 -12.584 1.00 -9.02 H ATOM 156 CD GLN A 10 8.500 -42.740 -12.834 1.00 -9.02 C ATOM 157 OE1 GLN A 10 9.262 -41.915 -13.319 1.00 -9.02 O ATOM 158 NE2 GLN A 10 8.890 -43.960 -12.570 1.00 -9.02 N ATOM 159 1HE2 GLN A 10 9.848 -44.204 -12.749 1.00 -9.02 H ATOM 160 2HE2 GLN A 10 8.248 -44.635 -12.186 1.00 -9.02 H ATOM 161 N CYS A 11 4.464 -42.980 -15.692 1.00 5.66 N ATOM 162 H CYS A 11 3.954 -42.109 -15.699 1.00 5.66 H ATOM 163 CA CYS A 11 3.833 -44.215 -16.169 1.00 5.66 C ATOM 164 HA CYS A 11 3.830 -44.944 -15.361 1.00 5.66 H ATOM 165 C CYS A 11 4.618 -44.810 -17.344 1.00 5.66 C ATOM 166 O CYS A 11 4.754 -46.025 -17.457 1.00 5.66 O ATOM 167 CB CYS A 11 2.398 -44.002 -16.661 1.00 5.66 C ATOM 168 1HB CYS A 11 2.430 -43.305 -17.498 1.00 5.66 H ATOM 169 2HB CYS A 11 2.042 -44.957 -17.048 1.00 5.66 H ATOM 170 SG CYS A 11 1.140 -43.387 -15.493 1.00 5.66 S ATOM 171 N HIS A 12 5.161 -43.968 -18.218 1.00 7.39 N ATOM 172 H HIS A 12 5.104 -42.972 -18.060 1.00 7.39 H ATOM 173 CA HIS A 12 5.898 -44.479 -19.377 1.00 7.39 C ATOM 174 HA HIS A 12 5.305 -45.255 -19.852 1.00 7.39 H ATOM 175 C HIS A 12 7.208 -45.117 -18.944 1.00 7.39 C ATOM 176 O HIS A 12 7.555 -46.182 -19.445 1.00 7.39 O ATOM 177 CB HIS A 12 6.230 -43.387 -20.407 1.00 7.39 C ATOM 178 1HB HIS A 12 6.694 -42.539 -19.907 1.00 7.39 H ATOM 179 2HB HIS A 12 6.961 -43.797 -21.104 1.00 7.39 H ATOM 180 CG HIS A 12 5.057 -42.917 -21.212 1.00 7.39 C ATOM 181 ND1 HIS A 12 4.089 -42.037 -20.741 1.00 7.39 N ATOM 182 HD1 HIS A 12 4.041 -41.644 -19.799 1.00 7.39 H ATOM 183 CD2 HIS A 12 4.690 -43.183 -22.492 1.00 7.39 C ATOM 184 HD2 HIS A 12 5.225 -43.825 -23.181 1.00 7.39 H ATOM 185 CE1 HIS A 12 3.201 -41.813 -21.698 1.00 7.39 C ATOM 186 HE1 HIS A 12 2.322 -41.187 -21.601 1.00 7.39 H ATOM 187 NE2 HIS A 12 3.541 -42.496 -22.765 1.00 7.39 N ATOM 188 HE2 HIS A 12 3.028 -42.525 -23.641 1.00 7.39 H ATOM 189 N SER A 13 7.950 -44.471 -18.057 1.00-22.68 N ATOM 190 H SER A 13 7.637 -43.596 -17.650 1.00-22.68 H ATOM 191 CA SER A 13 9.254 -44.995 -17.660 1.00-22.68 C ATOM 192 HA SER A 13 9.820 -45.268 -18.551 1.00-22.68 H ATOM 193 C SER A 13 9.096 -46.241 -16.800 1.00-22.68 C ATOM 194 O SER A 13 9.835 -47.211 -16.955 1.00-22.68 O ATOM 195 CB SER A 13 10.026 -43.924 -16.889 1.00-22.68 C ATOM 196 1HB SER A 13 10.931 -44.357 -16.461 1.00-22.68 H ATOM 197 2HB SER A 13 10.297 -43.118 -17.572 1.00-22.68 H ATOM 198 OG SER A 13 9.201 -43.396 -15.870 1.00-22.68 O ATOM 199 HG SER A 13 9.716 -42.797 -15.310 1.00-22.68 H ATOM 200 N HIS A 14 8.116 -46.250 -15.911 1.00 -0.25 N ATOM 201 H HIS A 14 7.531 -45.426 -15.782 1.00 -0.25 H ATOM 202 CA HIS A 14 7.928 -47.401 -15.038 1.00 -0.25 C ATOM 203 HA HIS A 14 8.891 -47.651 -14.589 1.00 -0.25 H ATOM 204 C HIS A 14 7.433 -48.611 -15.811 1.00 -0.25 C ATOM 205 O HIS A 14 7.936 -49.708 -15.623 1.00 -0.25 O ATOM 206 CB HIS A 14 6.959 -47.067 -13.917 1.00 -0.25 C ATOM 207 1HB HIS A 14 7.127 -46.035 -13.617 1.00 -0.25 H ATOM 208 2HB HIS A 14 5.939 -47.160 -14.285 1.00 -0.25 H ATOM 209 CG HIS A 14 7.138 -47.921 -12.702 1.00 -0.25 C ATOM 210 ND1 HIS A 14 7.451 -47.388 -11.469 1.00 -0.25 N ATOM 211 CD2 HIS A 14 7.064 -49.272 -12.552 1.00 -0.25 C ATOM 212 HD2 HIS A 14 6.835 -49.962 -13.352 1.00 -0.25 H ATOM 213 CE1 HIS A 14 7.575 -48.458 -10.627 1.00 -0.25 C ATOM 214 HE1 HIS A 14 7.840 -48.375 -9.581 1.00 -0.25 H ATOM 215 NE2 HIS A 14 7.339 -49.634 -11.260 1.00 -0.25 N ATOM 216 HE2 HIS A 14 7.374 -50.565 -10.869 1.00 -0.25 H ATOM 217 N CYS A 15 6.509 -48.438 -16.744 1.00 -4.33 N ATOM 218 H CYS A 15 6.078 -47.531 -16.894 1.00 -4.33 H ATOM 219 CA CYS A 15 6.098 -49.579 -17.558 1.00 -4.33 C ATOM 220 HA CYS A 15 5.847 -50.404 -16.895 1.00 -4.33 H ATOM 221 C CYS A 15 7.230 -50.064 -18.466 1.00 -4.33 C ATOM 222 O CYS A 15 7.287 -51.245 -18.794 1.00 -4.33 O ATOM 223 CB CYS A 15 4.857 -49.247 -18.376 1.00 -4.33 C ATOM 224 1HB CYS A 15 5.042 -48.329 -18.933 1.00 -4.33 H ATOM 225 2HB CYS A 15 4.686 -50.051 -19.089 1.00 -4.33 H ATOM 226 SG CYS A 15 3.347 -49.043 -17.371 1.00 -4.33 S ATOM 227 N ARG A 16 8.190 -49.211 -18.802 1.00-25.11 N ATOM 228 H ARG A 16 8.112 -48.231 -18.556 1.00-25.11 H ATOM 229 CA ARG A 16 9.393 -49.686 -19.495 1.00-25.11 C ATOM 230 HA ARG A 16 9.085 -50.356 -20.296 1.00-25.11 H ATOM 231 C ARG A 16 10.305 -50.521 -18.608 1.00-25.11 C ATOM 232 O ARG A 16 10.903 -51.463 -19.103 1.00-25.11 O ATOM 233 CB ARG A 16 10.166 -48.539 -20.147 1.00-25.11 C ATOM 234 1HB ARG A 16 10.232 -47.697 -19.462 1.00-25.11 H ATOM 235 2HB ARG A 16 11.174 -48.888 -20.373 1.00-25.11 H ATOM 236 CG ARG A 16 9.517 -48.107 -21.449 1.00-25.11 C ATOM 237 1HG ARG A 16 9.475 -48.973 -22.107 1.00-25.11 H ATOM 238 2HG ARG A 16 8.501 -47.767 -21.259 1.00-25.11 H ATOM 239 CD ARG A 16 10.280 -47.019 -22.168 1.00-25.11 C ATOM 240 1HD ARG A 16 10.285 -46.112 -21.562 1.00-25.11 H ATOM 241 2HD ARG A 16 11.305 -47.355 -22.336 1.00-25.11 H ATOM 242 NE ARG A 16 9.628 -46.768 -23.459 1.00-25.11 N ATOM 243 HE ARG A 16 8.767 -47.276 -23.637 1.00-25.11 H ATOM 244 CZ ARG A 16 10.051 -45.976 -24.431 1.00-25.11 C ATOM 245 NH1 ARG A 16 9.332 -45.919 -25.516 1.00-25.11 N ATOM 246 1HH1 ARG A 16 8.490 -46.482 -25.576 1.00-25.11 H ATOM 247 2HH1 ARG A 16 9.611 -45.339 -26.287 1.00-25.11 H ATOM 248 NH2 ARG A 16 11.146 -45.260 -24.370 1.00-25.11 N ATOM 249 1HH2 ARG A 16 11.715 -45.299 -23.541 1.00-25.11 H ATOM 250 2HH2 ARG A 16 11.422 -44.685 -25.146 1.00-25.11 H ATOM 251 N SER A 17 10.326 -50.297 -17.302 1.00-19.87 N ATOM 252 H SER A 17 9.843 -49.494 -16.917 1.00-19.87 H ATOM 253 CA SER A 17 11.043 -51.214 -16.405 1.00-19.87 C ATOM 254 HA SER A 17 12.024 -51.410 -16.840 1.00-19.87 H ATOM 255 C SER A 17 10.322 -52.561 -16.278 1.00-19.87 C ATOM 256 O SER A 17 10.934 -53.582 -15.995 1.00-19.87 O ATOM 257 CB SER A 17 11.268 -50.596 -15.020 1.00-19.87 C ATOM 258 1HB SER A 17 11.970 -51.226 -14.471 1.00-19.87 H ATOM 259 2HB SER A 17 11.712 -49.608 -15.142 1.00-19.87 H ATOM 260 OG SER A 17 10.081 -50.485 -14.251 1.00-19.87 O ATOM 261 HG SER A 17 9.352 -50.174 -14.811 1.00-19.87 H ATOM 262 N ILE A 18 9.025 -52.571 -16.562 1.00-17.58 N ATOM 263 H ILE A 18 8.566 -51.692 -16.752 1.00-17.58 H ATOM 264 CA ILE A 18 8.209 -53.793 -16.595 1.00-17.58 C ATOM 265 HA ILE A 18 8.603 -54.491 -15.856 1.00-17.58 H ATOM 266 C ILE A 18 8.377 -54.440 -17.992 1.00-17.58 C ATOM 267 O ILE A 18 7.826 -55.500 -18.304 1.00-17.58 O ATOM 268 CB ILE A 18 6.713 -53.451 -16.192 1.00-17.58 C ATOM 269 HB ILE A 18 6.315 -52.737 -16.909 1.00-17.58 H ATOM 270 CG1 ILE A 18 6.682 -52.807 -14.784 1.00-17.58 C ATOM 271 1HG1 ILE A 18 6.934 -53.574 -14.051 1.00-17.58 H ATOM 272 2HG1 ILE A 18 7.443 -52.037 -14.718 1.00-17.58 H ATOM 273 CG2 ILE A 18 5.782 -54.703 -16.164 1.00-17.58 C ATOM 274 1HG2 ILE A 18 4.773 -54.427 -15.860 1.00-17.58 H ATOM 275 2HG2 ILE A 18 6.176 -55.449 -15.471 1.00-17.58 H ATOM 276 3HG2 ILE A 18 5.713 -55.142 -17.155 1.00-17.58 H ATOM 277 CD1 ILE A 18 5.348 -52.153 -14.362 1.00-17.58 C ATOM 278 1HD1 ILE A 18 5.479 -51.665 -13.397 1.00-17.58 H ATOM 279 2HD1 ILE A 18 4.566 -52.905 -14.266 1.00-17.58 H ATOM 280 3HD1 ILE A 18 5.048 -51.407 -15.097 1.00-17.58 H ATOM 281 N GLY A 19 9.172 -53.829 -18.860 1.00 13.26 N ATOM 282 H GLY A 19 9.645 -52.971 -18.601 1.00 13.26 H ATOM 283 CA GLY A 19 9.442 -54.389 -20.176 1.00 13.26 C ATOM 284 1HA GLY A 19 10.366 -53.951 -20.555 1.00 13.26 H ATOM 285 2HA GLY A 19 9.590 -55.464 -20.081 1.00 13.26 H ATOM 286 C GLY A 19 8.349 -54.151 -21.198 1.00 13.26 C ATOM 287 O GLY A 19 8.178 -54.934 -22.132 1.00 13.26 O ATOM 288 N ARG A 20 7.558 -53.103 -21.010 1.00 14.88 N ATOM 289 H ARG A 20 7.736 -52.476 -20.228 1.00 14.88 H ATOM 290 CA ARG A 20 6.450 -52.785 -21.914 1.00 14.88 C ATOM 291 HA ARG A 20 6.288 -53.609 -22.608 1.00 14.88 H ATOM 292 C ARG A 20 6.881 -51.550 -22.689 1.00 14.88 C ATOM 293 O ARG A 20 7.682 -50.778 -22.191 1.00 14.88 O ATOM 294 CB ARG A 20 5.168 -52.509 -21.118 1.00 14.88 C ATOM 295 1HB ARG A 20 5.305 -51.577 -20.572 1.00 14.88 H ATOM 296 2HB ARG A 20 4.355 -52.364 -21.822 1.00 14.88 H ATOM 297 CG ARG A 20 4.749 -53.587 -20.100 1.00 14.88 C ATOM 298 1HG ARG A 20 5.481 -53.622 -19.294 1.00 14.88 H ATOM 299 2HG ARG A 20 3.795 -53.297 -19.670 1.00 14.88 H ATOM 300 CD ARG A 20 4.592 -54.988 -20.682 1.00 14.88 C ATOM 301 1HD ARG A 20 3.656 -55.417 -20.321 1.00 14.88 H ATOM 302 2HD ARG A 20 4.555 -54.928 -21.769 1.00 14.88 H ATOM 303 NE ARG A 20 5.707 -55.845 -20.256 1.00 14.88 N ATOM 304 HE ARG A 20 6.305 -55.491 -19.516 1.00 14.88 H ATOM 305 CZ ARG A 20 6.043 -57.027 -20.748 1.00 14.88 C ATOM 306 NH1 ARG A 20 7.081 -57.623 -20.238 1.00 14.88 N ATOM 307 1HH1 ARG A 20 7.590 -57.159 -19.488 1.00 14.88 H ATOM 308 2HH1 ARG A 20 7.387 -58.513 -20.581 1.00 14.88 H ATOM 309 NH2 ARG A 20 5.386 -57.632 -21.706 1.00 14.88 N ATOM 310 1HH2 ARG A 20 4.575 -57.189 -22.099 1.00 14.88 H ATOM 311 2HH2 ARG A 20 5.699 -58.521 -22.048 1.00 14.88 H ATOM 312 N LEU A 21 6.364 -51.336 -23.890 1.00-17.90 N ATOM 313 H LEU A 21 5.678 -51.971 -24.264 1.00-17.90 H ATOM 314 CA LEU A 21 6.822 -50.219 -24.726 1.00-17.90 C ATOM 315 HA LEU A 21 7.907 -50.284 -24.816 1.00-17.90 H ATOM 316 C LEU A 21 6.507 -48.832 -24.162 1.00-17.90 C ATOM 317 O LEU A 21 7.152 -47.840 -24.515 1.00-17.90 O ATOM 318 CB LEU A 21 6.213 -50.319 -26.131 1.00-17.90 C ATOM 319 1HB LEU A 21 5.131 -50.230 -26.033 1.00-17.90 H ATOM 320 2HB LEU A 21 6.562 -49.457 -26.700 1.00-17.90 H ATOM 321 CG LEU A 21 6.509 -51.573 -26.969 1.00-17.90 C ATOM 322 HG LEU A 21 6.146 -52.447 -26.429 1.00-17.90 H ATOM 323 CD1 LEU A 21 5.759 -51.481 -28.292 1.00-17.90 C ATOM 324 1HD1 LEU A 21 5.901 -52.401 -28.861 1.00-17.90 H ATOM 325 2HD1 LEU A 21 6.126 -50.639 -28.882 1.00-17.90 H ATOM 326 3HD1 LEU A 21 4.692 -51.350 -28.110 1.00-17.90 H ATOM 327 CD2 LEU A 21 8.001 -51.765 -27.245 1.00-17.90 C ATOM 328 1HD2 LEU A 21 8.147 -52.640 -27.881 1.00-17.90 H ATOM 329 2HD2 LEU A 21 8.538 -51.932 -26.312 1.00-17.90 H ATOM 330 3HD2 LEU A 21 8.411 -50.889 -27.748 1.00-17.90 H ATOM 331 N GLY A 22 5.532 -48.747 -23.273 1.00 3.99 N ATOM 332 H GLY A 22 5.035 -49.575 -22.978 1.00 3.99 H ATOM 333 CA GLY A 22 5.157 -47.482 -22.673 1.00 3.99 C ATOM 334 1HA GLY A 22 6.018 -47.035 -22.176 1.00 3.99 H ATOM 335 2HA GLY A 22 4.780 -46.808 -23.441 1.00 3.99 H ATOM 336 C GLY A 22 4.071 -47.758 -21.662 1.00 3.99 C ATOM 337 O GLY A 22 3.737 -48.924 -21.435 1.00 3.99 O ATOM 338 N GLY A 23 3.508 -46.710 -21.082 1.00 19.20 N ATOM 339 H GLY A 23 3.775 -45.768 -21.330 1.00 19.20 H ATOM 340 CA GLY A 23 2.453 -46.839 -20.096 1.00 19.20 C ATOM 341 1HA GLY A 23 1.749 -47.613 -20.393 1.00 19.20 H ATOM 342 2HA GLY A 23 2.868 -47.056 -19.115 1.00 19.20 H ATOM 343 C GLY A 23 1.745 -45.510 -20.065 1.00 19.20 C ATOM 344 O GLY A 23 2.248 -44.566 -20.671 1.00 19.20 O ATOM 345 N TYR A 24 0.590 -45.436 -19.434 1.00 -2.72 N ATOM 346 H TYR A 24 0.244 -46.244 -18.907 1.00 -2.72 H ATOM 347 CA TYR A 24 -0.290 -44.277 -19.503 1.00 -2.72 C ATOM 348 HA TYR A 24 0.283 -43.352 -19.549 1.00 -2.72 H ATOM 349 C TYR A 24 -1.085 -44.319 -18.208 1.00 -2.72 C ATOM 350 O TYR A 24 -1.092 -45.348 -17.541 1.00 -2.72 O ATOM 351 CB TYR A 24 -1.199 -44.403 -20.738 1.00 -2.72 C ATOM 352 1HB TYR A 24 -2.021 -43.692 -20.659 1.00 -2.72 H ATOM 353 2HB TYR A 24 -0.608 -44.150 -21.618 1.00 -2.72 H ATOM 354 CG TYR A 24 -1.753 -45.804 -20.944 1.00 -2.72 C ATOM 355 CD1 TYR A 24 -3.001 -46.180 -20.407 1.00 -2.72 C ATOM 356 HD1 TYR A 24 -3.603 -45.454 -19.877 1.00 -2.72 H ATOM 357 CD2 TYR A 24 -1.020 -46.772 -21.674 1.00 -2.72 C ATOM 358 HD2 TYR A 24 -0.089 -46.494 -22.146 1.00 -2.72 H ATOM 359 CE1 TYR A 24 -3.477 -47.513 -20.550 1.00 -2.72 C ATOM 360 HE1 TYR A 24 -4.440 -47.794 -20.150 1.00 -2.72 H ATOM 361 CE2 TYR A 24 -1.473 -48.111 -21.771 1.00 -2.72 C ATOM 362 HE2 TYR A 24 -0.890 -48.847 -22.300 1.00 -2.72 H ATOM 363 CZ TYR A 24 -2.684 -48.474 -21.180 1.00 -2.72 C ATOM 364 OH TYR A 24 -3.087 -49.785 -21.201 1.00 -2.72 O ATOM 365 HH TYR A 24 -2.395 -50.378 -21.514 1.00 -2.72 H ATOM 366 N CYS A 25 -1.710 -43.221 -17.815 1.00 10.75 N ATOM 367 H CYS A 25 -1.711 -42.396 -18.387 1.00 10.75 H ATOM 368 CA CYS A 25 -2.469 -43.218 -16.570 1.00 10.75 C ATOM 369 HA CYS A 25 -1.908 -43.755 -15.807 1.00 10.75 H ATOM 370 C CYS A 25 -3.781 -43.939 -16.852 1.00 10.75 C ATOM 371 O CYS A 25 -4.308 -43.846 -17.958 1.00 10.75 O ATOM 372 CB CYS A 25 -2.724 -41.795 -16.086 1.00 10.75 C ATOM 373 1HB CYS A 25 -3.412 -41.307 -16.778 1.00 10.75 H ATOM 374 2HB CYS A 25 -3.189 -41.840 -15.103 1.00 10.75 H ATOM 375 SG CYS A 25 -1.195 -40.811 -15.993 1.00 10.75 S ATOM 376 N ALA A 26 -4.290 -44.671 -15.876 1.00 19.42 N ATOM 377 H ALA A 26 -3.834 -44.695 -14.969 1.00 19.42 H ATOM 378 CA ALA A 26 -5.495 -45.461 -16.070 1.00 19.42 C ATOM 379 HA ALA A 26 -5.475 -45.891 -17.072 1.00 19.42 H ATOM 380 C ALA A 26 -6.749 -44.594 -15.930 1.00 19.42 C ATOM 381 O ALA A 26 -6.733 -43.530 -15.300 1.00 19.42 O ATOM 382 CB ALA A 26 -5.507 -46.597 -15.054 1.00 19.42 C ATOM 383 1HB ALA A 26 -4.597 -47.190 -15.156 1.00 19.42 H ATOM 384 2HB ALA A 26 -6.368 -47.244 -15.221 1.00 19.42 H ATOM 385 3HB ALA A 26 -5.554 -46.182 -14.050 1.00 19.42 H ATOM 386 N GLY A 27 -7.860 -45.103 -16.447 1.00 6.33 N ATOM 387 H GLY A 27 -7.817 -45.984 -16.936 1.00 6.33 H ATOM 388 CA GLY A 27 -9.141 -44.415 -16.350 1.00 6.33 C ATOM 389 1HA GLY A 27 -9.030 -43.414 -16.770 1.00 6.33 H ATOM 390 2HA GLY A 27 -9.876 -44.955 -16.945 1.00 6.33 H ATOM 391 C GLY A 27 -9.681 -44.272 -14.939 1.00 6.33 C ATOM 392 O GLY A 27 -10.571 -43.463 -14.688 1.00 6.33 O ATOM 393 N SER A 28 -9.114 -45.015 -13.999 1.00 38.72 N ATOM 394 H SER A 28 -8.386 -45.667 -14.253 1.00 38.72 H ATOM 395 CA SER A 28 -9.425 -44.928 -12.574 1.00 38.72 C ATOM 396 HA SER A 28 -10.506 -44.898 -12.435 1.00 38.72 H ATOM 397 C SER A 28 -8.818 -43.667 -11.949 1.00 38.72 C ATOM 398 O SER A 28 -7.865 -43.722 -11.172 1.00 38.72 O ATOM 399 CB SER A 28 -8.876 -46.189 -11.911 1.00 38.72 C ATOM 400 1HB SER A 28 -8.600 -45.997 -10.874 1.00 38.72 H ATOM 401 2HB SER A 28 -9.644 -46.963 -11.937 1.00 38.72 H ATOM 402 OG SER A 28 -7.755 -46.639 -12.656 1.00 38.72 O ATOM 403 HG SER A 28 -6.959 -46.490 -12.129 1.00 38.72 H ATOM 404 N LEU A 29 -9.351 -42.522 -12.361 1.00 -5.53 N ATOM 405 H LEU A 29 -10.074 -42.590 -13.077 1.00 -5.53 H ATOM 406 CA LEU A 29 -9.001 -41.181 -11.872 1.00 -5.53 C ATOM 407 HA LEU A 29 -9.566 -40.468 -12.472 1.00 -5.53 H ATOM 408 C LEU A 29 -7.524 -40.817 -12.018 1.00 -5.53 C ATOM 409 O LEU A 29 -7.036 -39.938 -11.301 1.00 -5.53 O ATOM 410 CB LEU A 29 -9.437 -41.009 -10.405 1.00 -5.53 C ATOM 411 1HB LEU A 29 -8.802 -41.650 -9.794 1.00 -5.53 H ATOM 412 2HB LEU A 29 -9.238 -39.979 -10.111 1.00 -5.53 H ATOM 413 CG LEU A 29 -10.896 -41.315 -10.031 1.00 -5.53 C ATOM 414 HG LEU A 29 -11.131 -42.335 -10.330 1.00 -5.53 H ATOM 415 CD1 LEU A 29 -11.065 -41.217 -8.517 1.00 -5.53 C ATOM 416 1HD1 LEU A 29 -12.089 -41.477 -8.244 1.00 -5.53 H ATOM 417 2HD1 LEU A 29 -10.849 -40.205 -8.171 1.00 -5.53 H ATOM 418 3HD1 LEU A 29 -10.388 -41.918 -8.025 1.00 -5.53 H ATOM 419 CD2 LEU A 29 -11.886 -40.370 -10.717 1.00 -5.53 C ATOM 420 1HD2 LEU A 29 -12.901 -40.615 -10.400 1.00 -5.53 H ATOM 421 2HD2 LEU A 29 -11.832 -40.491 -11.798 1.00 -5.53 H ATOM 422 3HD2 LEU A 29 -11.672 -39.335 -10.451 1.00 -5.53 H ATOM 423 N ARG A 30 -6.826 -41.490 -12.933 1.00 19.54 N ATOM 424 H ARG A 30 -7.325 -42.156 -13.516 1.00 19.54 H ATOM 425 CA ARG A 30 -5.368 -41.393 -13.156 1.00 19.54 C ATOM 426 HA ARG A 30 -5.119 -42.075 -13.970 1.00 19.54 H ATOM 427 C ARG A 30 -4.556 -41.843 -11.942 1.00 19.54 C ATOM 428 O ARG A 30 -3.347 -41.674 -11.904 1.00 19.54 O ATOM 429 CB ARG A 30 -4.933 -39.974 -13.574 1.00 19.54 C ATOM 430 1HB ARG A 30 -5.003 -39.329 -12.702 1.00 19.54 H ATOM 431 2HB ARG A 30 -3.885 -40.002 -13.851 1.00 19.54 H ATOM 432 CG ARG A 30 -5.712 -39.349 -14.744 1.00 19.54 C ATOM 433 1HG ARG A 30 -5.092 -39.382 -15.640 1.00 19.54 H ATOM 434 2HG ARG A 30 -6.616 -39.923 -14.937 1.00 19.54 H ATOM 435 CD ARG A 30 -6.118 -37.897 -14.463 1.00 19.54 C ATOM 436 1HD ARG A 30 -5.221 -37.291 -14.322 1.00 19.54 H ATOM 437 2HD ARG A 30 -6.671 -37.517 -15.323 1.00 19.54 H ATOM 438 NE ARG A 30 -6.950 -37.818 -13.253 1.00 19.54 N ATOM 439 HE ARG A 30 -6.732 -38.488 -12.520 1.00 19.54 H ATOM 440 CZ ARG A 30 -7.955 -36.991 -13.009 1.00 19.54 C ATOM 441 NH1 ARG A 30 -8.547 -37.096 -11.852 1.00 19.54 N ATOM 442 1HH1 ARG A 30 -8.219 -37.785 -11.187 1.00 19.54 H ATOM 443 2HH1 ARG A 30 -9.318 -36.497 -11.618 1.00 19.54 H ATOM 444 NH2 ARG A 30 -8.401 -36.104 -13.861 1.00 19.54 N ATOM 445 1HH2 ARG A 30 -7.955 -36.013 -14.757 1.00 19.54 H ATOM 446 2HH2 ARG A 30 -9.182 -35.518 -13.623 1.00 19.54 H ATOM 447 N LEU A 31 -5.230 -42.404 -10.949 1.00 13.18 N ATOM 448 H LEU A 31 -6.222 -42.580 -11.066 1.00 13.18 H ATOM 449 CA LEU A 31 -4.630 -42.746 -9.662 1.00 13.18 C ATOM 450 HA LEU A 31 -4.056 -41.897 -9.299 1.00 13.18 H ATOM 451 C LEU A 31 -3.701 -43.944 -9.793 1.00 13.18 C ATOM 452 O LEU A 31 -2.771 -44.128 -9.012 1.00 13.18 O ATOM 453 CB LEU A 31 -5.755 -43.056 -8.669 1.00 13.18 C ATOM 454 1HB LEU A 31 -6.466 -42.231 -8.713 1.00 13.18 H ATOM 455 2HB LEU A 31 -6.268 -43.950 -9.023 1.00 13.18 H ATOM 456 CG LEU A 31 -5.401 -43.286 -7.191 1.00 13.18 C ATOM 457 HG LEU A 31 -4.714 -44.127 -7.122 1.00 13.18 H ATOM 458 CD1 LEU A 31 -4.739 -42.066 -6.547 1.00 13.18 C ATOM 459 1HD1 LEU A 31 -4.570 -42.257 -5.486 1.00 13.18 H ATOM 460 2HD1 LEU A 31 -5.378 -41.188 -6.654 1.00 13.18 H ATOM 461 3HD1 LEU A 31 -3.777 -41.874 -7.017 1.00 13.18 H ATOM 462 CD2 LEU A 31 -6.670 -43.644 -6.425 1.00 13.18 C ATOM 463 1HD2 LEU A 31 -6.425 -43.852 -5.383 1.00 13.18 H ATOM 464 2HD2 LEU A 31 -7.125 -44.537 -6.857 1.00 13.18 H ATOM 465 3HD2 LEU A 31 -7.385 -42.821 -6.466 1.00 13.18 H ATOM 466 N THR A 32 -3.943 -44.747 -10.812 1.00 16.08 N ATOM 467 H THR A 32 -4.720 -44.549 -11.423 1.00 16.08 H ATOM 468 CA THR A 32 -3.100 -45.886 -11.151 1.00 16.08 C ATOM 469 HA THR A 32 -2.236 -45.933 -10.495 1.00 16.08 H ATOM 470 C THR A 32 -2.619 -45.646 -12.576 1.00 16.08 C ATOM 471 O THR A 32 -3.137 -44.765 -13.263 1.00 16.08 O ATOM 472 CB THR A 32 -3.890 -47.208 -11.032 1.00 16.08 C ATOM 473 HB THR A 32 -3.287 -48.033 -11.412 1.00 16.08 H ATOM 474 OG1 THR A 32 -5.107 -47.107 -11.773 1.00 16.08 O ATOM 475 HG1 THR A 32 -5.460 -47.996 -11.881 1.00 16.08 H ATOM 476 CG2 THR A 32 -4.287 -47.495 -9.593 1.00 16.08 C ATOM 477 1HG2 THR A 32 -4.775 -48.468 -9.539 1.00 16.08 H ATOM 478 2HG2 THR A 32 -4.980 -46.732 -9.234 1.00 16.08 H ATOM 479 3HG2 THR A 32 -3.403 -47.509 -8.955 1.00 16.08 H ATOM 480 N CYS A 33 -1.646 -46.426 -13.024 1.00 2.47 N ATOM 481 H CYS A 33 -1.283 -47.168 -12.448 1.00 2.47 H ATOM 482 CA CYS A 33 -1.178 -46.384 -14.406 1.00 2.47 C ATOM 483 HA CYS A 33 -1.691 -45.620 -14.983 1.00 2.47 H ATOM 484 C CYS A 33 -1.525 -47.757 -14.943 1.00 2.47 C ATOM 485 O CYS A 33 -1.706 -48.688 -14.156 1.00 2.47 O ATOM 486 CB CYS A 33 0.339 -46.211 -14.521 1.00 2.47 C ATOM 487 1HB CYS A 33 0.803 -47.035 -13.980 1.00 2.47 H ATOM 488 2HB CYS A 33 0.615 -46.315 -15.572 1.00 2.47 H ATOM 489 SG CYS A 33 1.053 -44.654 -13.904 1.00 2.47 S ATOM 490 N THR A 34 -1.547 -47.884 -16.255 1.00 3.66 N ATOM 491 H THR A 34 -1.400 -47.061 -16.839 1.00 3.66 H ATOM 492 CA THR A 34 -1.722 -49.155 -16.939 1.00 3.66 C ATOM 493 HA THR A 34 -1.525 -49.987 -16.263 1.00 3.66 H ATOM 494 C THR A 34 -0.656 -49.119 -18.023 1.00 3.66 C ATOM 495 O THR A 34 -0.143 -48.044 -18.342 1.00 3.66 O ATOM 496 CB THR A 34 -3.144 -49.268 -17.510 1.00 3.66 C ATOM 497 HB THR A 34 -3.120 -49.759 -18.483 1.00 3.66 H ATOM 498 OG1 THR A 34 -3.703 -47.957 -17.625 1.00 3.66 O ATOM 499 HG1 THR A 34 -3.233 -47.489 -18.324 1.00 3.66 H ATOM 500 CG2 THR A 34 -4.054 -50.040 -16.574 1.00 3.66 C ATOM 501 1HG2 THR A 34 -5.065 -50.043 -16.979 1.00 3.66 H ATOM 502 2HG2 THR A 34 -4.064 -49.566 -15.592 1.00 3.66 H ATOM 503 3HG2 THR A 34 -3.705 -51.067 -16.477 1.00 3.66 H ATOM 504 N CYS A 35 -0.266 -50.272 -18.541 1.00 -3.97 N ATOM 505 H CYS A 35 -0.755 -51.122 -18.314 1.00 -3.97 H ATOM 506 CA CYS A 35 0.888 -50.356 -19.429 1.00 -3.97 C ATOM 507 HA CYS A 35 1.361 -49.384 -19.510 1.00 -3.97 H ATOM 508 C CYS A 35 0.504 -50.813 -20.829 1.00 -3.97 C ATOM 509 O CYS A 35 -0.586 -51.342 -21.050 1.00 -3.97 O ATOM 510 CB CYS A 35 1.918 -51.328 -18.849 1.00 -3.97 C ATOM 511 1HB CYS A 35 1.469 -52.320 -18.805 1.00 -3.97 H ATOM 512 2HB CYS A 35 2.759 -51.372 -19.539 1.00 -3.97 H ATOM 513 SG CYS A 35 2.577 -50.916 -17.196 1.00 -3.97 S ATOM 514 N TYR A 36 1.429 -50.645 -21.762 1.00 -5.15 N ATOM 515 H TYR A 36 2.281 -50.138 -21.538 1.00 -5.15 H ATOM 516 CA TYR A 36 1.310 -51.246 -23.085 1.00 -5.15 C ATOM 517 HA TYR A 36 0.406 -50.890 -23.579 1.00 -5.15 H ATOM 518 C TYR A 36 1.226 -52.765 -22.948 1.00 -5.15 C ATOM 519 O TYR A 36 1.961 -53.378 -22.167 1.00 -5.15 O ATOM 520 CB TYR A 36 2.538 -50.891 -23.935 1.00 -5.15 C ATOM 521 1HB TYR A 36 2.506 -49.832 -24.189 1.00 -5.15 H ATOM 522 2HB TYR A 36 3.430 -51.075 -23.342 1.00 -5.15 H ATOM 523 CG TYR A 36 2.646 -51.717 -25.201 1.00 -5.15 C ATOM 524 CD1 TYR A 36 1.961 -51.340 -26.372 1.00 -5.15 C ATOM 525 HD1 TYR A 36 1.392 -50.421 -26.397 1.00 -5.15 H ATOM 526 CD2 TYR A 36 3.387 -52.923 -25.212 1.00 -5.15 C ATOM 527 HD2 TYR A 36 3.913 -53.241 -24.324 1.00 -5.15 H ATOM 528 CE1 TYR A 36 1.981 -52.174 -27.525 1.00 -5.15 C ATOM 529 HE1 TYR A 36 1.436 -51.891 -28.414 1.00 -5.15 H ATOM 530 CE2 TYR A 36 3.405 -53.755 -26.363 1.00 -5.15 C ATOM 531 HE2 TYR A 36 3.958 -54.682 -26.358 1.00 -5.15 H ATOM 532 CZ TYR A 36 2.691 -53.376 -27.504 1.00 -5.15 C ATOM 533 OH TYR A 36 2.698 -54.183 -28.612 1.00 -5.15 O ATOM 534 HH TYR A 36 3.195 -54.993 -28.477 1.00 -5.15 H ATOM 535 N ARG A 37 0.383 -53.365 -23.774 1.00 4.28 N ATOM 536 H ARG A 37 -0.189 -52.811 -24.405 1.00 4.28 H ATOM 537 CA ARG A 37 0.317 -54.806 -23.976 1.00 4.28 C ATOM 538 HA ARG A 37 1.288 -55.273 -23.826 1.00 4.28 H ATOM 539 C ARG A 37 -0.072 -54.853 -25.443 1.00 4.28 C ATOM 540 O ARG A 37 -0.522 -53.824 -25.953 1.00 4.28 O ATOM 541 CB ARG A 37 -0.755 -55.473 -23.100 1.00 4.28 C ATOM 542 1HB ARG A 37 -0.745 -56.540 -23.323 1.00 4.28 H ATOM 543 2HB ARG A 37 -0.492 -55.342 -22.050 1.00 4.28 H ATOM 544 CG ARG A 37 -2.181 -54.954 -23.317 1.00 4.28 C ATOM 545 1HG ARG A 37 -2.296 -53.979 -22.844 1.00 4.28 H ATOM 546 2HG ARG A 37 -2.372 -54.851 -24.383 1.00 4.28 H ATOM 547 CD ARG A 37 -3.212 -55.926 -22.765 1.00 4.28 C ATOM 548 1HD ARG A 37 -3.038 -56.911 -23.202 1.00 4.28 H ATOM 549 2HD ARG A 37 -3.096 -55.996 -21.683 1.00 4.28 H ATOM 550 NE ARG A 37 -4.580 -55.491 -23.091 1.00 4.28 N ATOM 551 HE ARG A 37 -5.060 -54.969 -22.380 1.00 4.28 H ATOM 552 CZ ARG A 37 -5.230 -55.728 -24.226 1.00 4.28 C ATOM 553 NH1 ARG A 37 -6.448 -55.277 -24.348 1.00 4.28 N ATOM 554 1HH1 ARG A 37 -6.882 -54.772 -23.598 1.00 4.28 H ATOM 555 2HH1 ARG A 37 -6.943 -55.430 -25.208 1.00 4.28 H ATOM 556 NH2 ARG A 37 -4.738 -56.374 -25.246 1.00 4.28 N ATOM 557 1HH2 ARG A 37 -3.776 -56.729 -25.230 1.00 4.28 H ATOM 558 2HH2 ARG A 37 -5.256 -56.505 -26.093 1.00 4.28 H ATOM 559 N SER A 38 0.052 -56.004 -26.080 1.00-13.11 N ATOM 560 H SER A 38 0.519 -56.778 -25.645 1.00-13.11 H ATOM 561 CA SER A 38 -0.653 -56.269 -27.330 1.00-13.11 C ATOM 562 HA SER A 38 -0.790 -55.351 -27.900 1.00-13.11 H ATOM 563 C SER A 38 -2.013 -56.810 -26.916 1.00-13.11 C ATOM 564 O SER A 38 -2.985 -56.735 -27.685 1.00-13.11 O ATOM 565 OXT SER A 38 -2.083 -57.281 -25.756 1.00-13.11 O ATOM 566 CB SER A 38 0.104 -57.299 -28.159 1.00-13.11 C ATOM 567 1HB SER A 38 0.176 -58.234 -27.602 1.00-13.11 H ATOM 568 2HB SER A 38 -0.432 -57.477 -29.093 1.00-13.11 H ATOM 569 OG SER A 38 1.403 -56.794 -28.422 1.00-13.11 O ATOM 570 HG SER A 38 1.298 -55.899 -28.765 1.00-13.11 H TER 571 SER A 38 CONECT 46 43 375 CONECT 170 167 489 CONECT 226 223 513 CONECT 375 46 372 CONECT 489 170 486 CONECT 513 226 510 END
SEQUENCE	GFGCPWNRYQCHSHCRSIGRLGGYCAGSLRLTCTCYRS
HELICITY	0.00	INSTAB. INDEX	55.24	FLEXIBILITY	16.47
a HYD. MOM.	45.69	b HYD. MOM.	24.40	c HYD. MOM	5.76
a MEAN HYD. MOM.	1.20	b MEAN HYD. MOM.	0.64	c MEAN HYD. MOM.	0.15
CHARGE pH5	6.82	CHARGE pH7	4.91	CHARGE pH9	-0.39
Δ CHARGE pH5-pH9	7.20	ISOELECTRIC POINT	9.18	BOMAN INDEX	1.98
ΔG	14	CPP	-0,21	MLP	-2,89
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	Mollusca	CLASS	Bivalvia	ORDER	Ostreoida
FAMILY	Ostreidae	GENUS	Crassostrea	SPECIES	Crassostrea virginica
DATE	2005
TITLE PAPER	Purification of a novel arthropod defensin from the American oyster, Crassostrea virginica