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ID	2440	NAME	4A   Blast NCBI-PROT
LENGTH	43	DISULFIDE BRIDGE			View PDB REMARK YASARA ************************************************************* REMARK YASARA * * REMARK YASARA * Y A S A R A * REMARK YASARA * * REMARK YASARA * Yet Another Scientific Artificial Reality Application * REMARK YASARA * * REMARK YASARA * MOLECULE STRUCTURE FILE, PDB FORMAT * REMARK YASARA * * REMARK YASARA * Just use YASARA every day to make your questions go away! * REMARK YASARA * * REMARK YASARA * www.YASARA.org * REMARK YASARA * * REMARK YASARA ************************************************************* REMARK YASARA REMARK YASARA Original filename: C:\Users\federica\Favorites\Dropbox\lab13\Lucia\pdb_yadamp\pdb_HM_final\AAAAGSVWGAVNYTSDCNGECKRRGYKGGYCGSFANVNCWCET.pdb REMARK YASARA Written on: Wed May 14 20:12:25 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 593 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: DEFENSIN ARD1; COMPND 3 CHAIN: A; SEQRES 1 A 43 ALA ALA ALA ALA GLY SER VAL TRP GLY ALA VAL ASN TYR SEQRES 2 A 43 THR SER ASP CYS ASN GLY GLU CYS LYS ARG ARG GLY TYR SEQRES 3 A 43 LYS GLY GLY TYR CYS GLY SER PHE ALA ASN VAL ASN CYS SEQRES 4 A 43 TRP CYS GLU THR 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 17 CYS A 39 2.03 SSBOND 3 CYS A 21 CYS A 41 2.03 ATOM 1 N ALA A 1 1.315 20.137 -33.122 1.00-18.53 N ATOM 2 1H ALA A 1 1.132 19.648 -33.987 1.00-18.53 H ATOM 3 2H ALA A 1 1.103 19.524 -32.344 1.00-18.53 H ATOM 4 3H ALA A 1 2.287 20.408 -33.094 1.00-18.53 H ATOM 5 CA ALA A 1 0.453 21.354 -33.051 1.00-18.53 C ATOM 6 HA ALA A 1 -0.588 21.039 -33.015 1.00-18.53 H ATOM 7 C ALA A 1 0.656 22.187 -34.308 1.00-18.53 C ATOM 8 O ALA A 1 1.646 21.961 -34.991 1.00-18.53 O ATOM 9 CB ALA A 1 0.774 22.178 -31.778 1.00-18.53 C ATOM 10 1HB ALA A 1 0.625 21.562 -30.889 1.00-18.53 H ATOM 11 2HB ALA A 1 0.107 23.041 -31.721 1.00-18.53 H ATOM 12 3HB ALA A 1 1.807 22.529 -31.808 1.00-18.53 H ATOM 13 N ALA A 2 -0.248 23.108 -34.623 1.00 -1.59 N ATOM 14 H ALA A 2 -1.041 23.276 -34.003 1.00 -1.59 H ATOM 15 CA ALA A 2 -0.165 23.932 -35.833 1.00 -1.59 C ATOM 16 HA ALA A 2 0.879 24.113 -36.093 1.00 -1.59 H ATOM 17 C ALA A 2 -0.853 25.269 -35.543 1.00 -1.59 C ATOM 18 O ALA A 2 -1.529 25.382 -34.528 1.00 -1.59 O ATOM 19 CB ALA A 2 -0.869 23.210 -36.995 1.00 -1.59 C ATOM 20 1HB ALA A 2 -0.393 22.246 -37.177 1.00 -1.59 H ATOM 21 2HB ALA A 2 -0.807 23.812 -37.903 1.00 -1.59 H ATOM 22 3HB ALA A 2 -1.921 23.052 -36.751 1.00 -1.59 H ATOM 23 N ALA A 3 -0.724 26.258 -36.416 1.00-14.40 N ATOM 24 H ALA A 3 -0.153 26.137 -37.235 1.00-14.40 H ATOM 25 CA ALA A 3 -1.494 27.496 -36.278 1.00-14.40 C ATOM 26 HA ALA A 3 -1.522 27.800 -35.232 1.00-14.40 H ATOM 27 C ALA A 3 -2.917 27.204 -36.761 1.00-14.40 C ATOM 28 O ALA A 3 -3.090 26.465 -37.725 1.00-14.40 O ATOM 29 CB ALA A 3 -0.859 28.612 -37.117 1.00-14.40 C ATOM 30 1HB ALA A 3 0.170 28.773 -36.799 1.00-14.40 H ATOM 31 2HB ALA A 3 -1.422 29.536 -36.978 1.00-14.40 H ATOM 32 3HB ALA A 3 -0.877 28.337 -38.174 1.00-14.40 H ATOM 33 N ALA A 4 -3.918 27.780 -36.112 1.00 18.03 N ATOM 34 H ALA A 4 -3.727 28.378 -35.311 1.00 18.03 H ATOM 35 CA ALA A 4 -5.310 27.574 -36.506 1.00 18.03 C ATOM 36 HA ALA A 4 -5.420 26.592 -36.970 1.00 18.03 H ATOM 37 C ALA A 4 -5.781 28.647 -37.481 1.00 18.03 C ATOM 38 O ALA A 4 -6.621 28.414 -38.350 1.00 18.03 O ATOM 39 CB ALA A 4 -6.182 27.645 -35.267 1.00 18.03 C ATOM 40 1HB ALA A 4 -5.769 27.019 -34.479 1.00 18.03 H ATOM 41 2HB ALA A 4 -7.189 27.302 -35.509 1.00 18.03 H ATOM 42 3HB ALA A 4 -6.232 28.669 -34.911 1.00 18.03 H ATOM 43 N GLY A 5 -5.316 29.857 -37.215 1.00 10.61 N ATOM 44 H GLY A 5 -4.616 29.984 -36.495 1.00 10.61 H ATOM 45 CA GLY A 5 -5.868 31.057 -37.811 1.00 10.61 C ATOM 46 1HA GLY A 5 -5.281 31.372 -38.671 1.00 10.61 H ATOM 47 2HA GLY A 5 -6.911 30.904 -38.089 1.00 10.61 H ATOM 48 C GLY A 5 -5.768 32.076 -36.696 1.00 10.61 C ATOM 49 O GLY A 5 -4.977 31.853 -35.772 1.00 10.61 O ATOM 50 N SER A 6 -6.537 33.153 -36.732 1.00 5.60 N ATOM 51 H SER A 6 -7.218 33.269 -37.482 1.00 5.60 H ATOM 52 CA SER A 6 -6.441 34.186 -35.704 1.00 5.60 C ATOM 53 HA SER A 6 -5.797 33.835 -34.907 1.00 5.60 H ATOM 54 C SER A 6 -7.797 34.487 -35.090 1.00 5.60 C ATOM 55 O SER A 6 -8.809 34.505 -35.777 1.00 5.60 O ATOM 56 CB SER A 6 -5.825 35.450 -36.305 1.00 5.60 C ATOM 57 1HB SER A 6 -6.495 35.827 -37.076 1.00 5.60 H ATOM 58 2HB SER A 6 -5.708 36.208 -35.531 1.00 5.60 H ATOM 59 OG SER A 6 -4.568 35.164 -36.900 1.00 5.60 O ATOM 60 HG SER A 6 -3.879 35.133 -36.213 1.00 5.60 H ATOM 61 N VAL A 7 -7.818 34.737 -33.791 1.00 38.78 N ATOM 62 H VAL A 7 -6.945 34.764 -33.268 1.00 38.78 H ATOM 63 CA VAL A 7 -9.066 34.968 -33.063 1.00 38.78 C ATOM 64 HA VAL A 7 -9.874 34.469 -33.599 1.00 38.78 H ATOM 65 C VAL A 7 -9.378 36.469 -33.058 1.00 38.78 C ATOM 66 O VAL A 7 -10.451 36.908 -32.658 1.00 38.78 O ATOM 67 CB VAL A 7 -8.983 34.311 -31.650 1.00 38.78 C ATOM 68 HB VAL A 7 -8.482 33.351 -31.775 1.00 38.78 H ATOM 69 CG1 VAL A 7 -8.150 35.137 -30.668 1.00 38.78 C ATOM 70 1HG1 VAL A 7 -7.982 34.562 -29.759 1.00 38.78 H ATOM 71 2HG1 VAL A 7 -8.672 36.058 -30.410 1.00 38.78 H ATOM 72 3HG1 VAL A 7 -7.176 35.378 -31.097 1.00 38.78 H ATOM 73 CG2 VAL A 7 -10.375 34.017 -31.080 1.00 38.78 C ATOM 74 1HG2 VAL A 7 -10.283 33.488 -30.132 1.00 38.78 H ATOM 75 2HG2 VAL A 7 -10.938 33.396 -31.779 1.00 38.78 H ATOM 76 3HG2 VAL A 7 -10.922 34.949 -30.923 1.00 38.78 H ATOM 77 N TRP A 8 -8.442 37.261 -33.569 1.00 3.40 N ATOM 78 H TRP A 8 -7.526 36.883 -33.755 1.00 3.40 H ATOM 79 CA TRP A 8 -8.695 38.679 -33.859 1.00 3.40 C ATOM 80 HA TRP A 8 -9.575 39.025 -33.315 1.00 3.40 H ATOM 81 C TRP A 8 -8.908 38.904 -35.359 1.00 3.40 C ATOM 82 O TRP A 8 -9.340 39.967 -35.798 1.00 3.40 O ATOM 83 CB TRP A 8 -7.491 39.548 -33.476 1.00 3.40 C ATOM 84 1HB TRP A 8 -6.643 39.227 -34.076 1.00 3.40 H ATOM 85 2HB TRP A 8 -7.721 40.575 -33.760 1.00 3.40 H ATOM 86 CG TRP A 8 -7.059 39.566 -32.026 1.00 3.40 C ATOM 87 CD1 TRP A 8 -7.326 38.656 -31.048 1.00 3.40 C ATOM 88 HD1 TRP A 8 -7.941 37.780 -31.191 1.00 3.40 H ATOM 89 CD2 TRP A 8 -6.238 40.565 -31.393 1.00 3.40 C ATOM 90 NE1 TRP A 8 -6.698 38.974 -29.876 1.00 3.40 N ATOM 91 HE1 TRP A 8 -6.720 38.405 -29.041 1.00 3.40 H ATOM 92 CE2 TRP A 8 -6.024 40.149 -30.047 1.00 3.40 C ATOM 93 CE3 TRP A 8 -5.650 41.770 -31.831 1.00 3.40 C ATOM 94 HE3 TRP A 8 -5.798 42.112 -32.845 1.00 3.40 H ATOM 95 CZ2 TRP A 8 -5.235 40.892 -29.145 1.00 3.40 C ATOM 96 HZ2 TRP A 8 -5.080 40.546 -28.134 1.00 3.40 H ATOM 97 CZ3 TRP A 8 -4.853 42.521 -30.927 1.00 3.40 C ATOM 98 HZ3 TRP A 8 -4.395 43.443 -31.253 1.00 3.40 H ATOM 99 CH2 TRP A 8 -4.652 42.064 -29.591 1.00 3.40 C ATOM 100 HH2 TRP A 8 -4.035 42.642 -28.918 1.00 3.40 H ATOM 101 N GLY A 9 -8.502 37.935 -36.166 1.00 36.81 N ATOM 102 H GLY A 9 -8.382 36.999 -35.814 1.00 36.81 H ATOM 103 CA GLY A 9 -8.201 38.205 -37.565 1.00 36.81 C ATOM 104 1HA GLY A 9 -8.036 39.273 -37.704 1.00 36.81 H ATOM 105 2HA GLY A 9 -7.290 37.680 -37.846 1.00 36.81 H ATOM 106 C GLY A 9 -9.309 37.759 -38.486 1.00 36.81 C ATOM 107 O GLY A 9 -9.352 36.603 -38.855 1.00 36.81 O ATOM 108 N ALA A 10 -10.221 38.652 -38.845 1.00 9.24 N ATOM 109 H ALA A 10 -10.130 39.603 -38.520 1.00 9.24 H ATOM 110 CA ALA A 10 -11.405 38.282 -39.628 1.00 9.24 C ATOM 111 HA ALA A 10 -12.011 37.617 -39.012 1.00 9.24 H ATOM 112 C ALA A 10 -11.125 37.522 -40.938 1.00 9.24 C ATOM 113 O ALA A 10 -11.893 36.654 -41.334 1.00 9.24 O ATOM 114 CB ALA A 10 -12.233 39.543 -39.908 1.00 9.24 C ATOM 115 1HB ALA A 10 -12.512 40.019 -38.967 1.00 9.24 H ATOM 116 2HB ALA A 10 -13.143 39.263 -40.443 1.00 9.24 H ATOM 117 3HB ALA A 10 -11.661 40.243 -40.519 1.00 9.24 H ATOM 118 N VAL A 11 -10.009 37.819 -41.588 1.00-13.75 N ATOM 119 H VAL A 11 -9.386 38.510 -41.210 1.00-13.75 H ATOM 120 CA VAL A 11 -9.653 37.176 -42.857 1.00-13.75 C ATOM 121 HA VAL A 11 -10.528 37.196 -43.507 1.00-13.75 H ATOM 122 C VAL A 11 -9.234 35.708 -42.727 1.00-13.75 C ATOM 123 O VAL A 11 -9.189 34.980 -43.711 1.00-13.75 O ATOM 124 CB VAL A 11 -8.511 37.965 -43.563 1.00-13.75 C ATOM 125 HB VAL A 11 -8.275 37.464 -44.502 1.00-13.75 H ATOM 126 CG1 VAL A 11 -8.972 39.396 -43.891 1.00-13.75 C ATOM 127 1HG1 VAL A 11 -8.203 39.899 -44.478 1.00-13.75 H ATOM 128 2HG1 VAL A 11 -9.156 39.968 -42.982 1.00-13.75 H ATOM 129 3HG1 VAL A 11 -9.888 39.358 -44.484 1.00-13.75 H ATOM 130 CG2 VAL A 11 -7.226 38.028 -42.703 1.00-13.75 C ATOM 131 1HG2 VAL A 11 -6.445 38.548 -43.259 1.00-13.75 H ATOM 132 2HG2 VAL A 11 -6.871 37.020 -42.486 1.00-13.75 H ATOM 133 3HG2 VAL A 11 -7.402 38.555 -41.767 1.00-13.75 H ATOM 134 N ASN A 12 -8.915 35.272 -41.517 1.00 12.63 N ATOM 135 H ASN A 12 -8.980 35.904 -40.721 1.00 12.63 H ATOM 136 CA ASN A 12 -8.410 33.923 -41.256 1.00 12.63 C ATOM 137 HA ASN A 12 -8.773 33.250 -42.033 1.00 12.63 H ATOM 138 C ASN A 12 -8.987 33.463 -39.919 1.00 12.63 C ATOM 139 O ASN A 12 -8.322 32.822 -39.100 1.00 12.63 O ATOM 140 CB ASN A 12 -6.870 33.904 -41.280 1.00 12.63 C ATOM 141 1HB ASN A 12 -6.535 32.870 -41.224 1.00 12.63 H ATOM 142 2HB ASN A 12 -6.527 34.327 -42.224 1.00 12.63 H ATOM 143 CG ASN A 12 -6.229 34.676 -40.143 1.00 12.63 C ATOM 144 OD1 ASN A 12 -6.643 35.759 -39.762 1.00 12.63 O ATOM 145 ND2 ASN A 12 -5.172 34.127 -39.614 1.00 12.63 N ATOM 146 1HD2 ASN A 12 -4.745 34.588 -38.818 1.00 12.63 H ATOM 147 2HD2 ASN A 12 -4.802 33.275 -39.990 1.00 12.63 H ATOM 148 N TYR A 13 -10.224 33.878 -39.691 1.00 2.60 N ATOM 149 H TYR A 13 -10.738 34.331 -40.434 1.00 2.60 H ATOM 150 CA TYR A 13 -10.844 33.810 -38.372 1.00 2.60 C ATOM 151 HA TYR A 13 -10.195 34.358 -37.696 1.00 2.60 H ATOM 152 C TYR A 13 -11.048 32.417 -37.795 1.00 2.60 C ATOM 153 O TYR A 13 -11.303 31.456 -38.527 1.00 2.60 O ATOM 154 CB TYR A 13 -12.190 34.536 -38.409 1.00 2.60 C ATOM 155 1HB TYR A 13 -12.104 35.375 -39.092 1.00 2.60 H ATOM 156 2HB TYR A 13 -12.963 33.863 -38.782 1.00 2.60 H ATOM 157 CG TYR A 13 -12.584 35.086 -37.056 1.00 2.60 C ATOM 158 CD1 TYR A 13 -11.834 36.125 -36.476 1.00 2.60 C ATOM 159 HD1 TYR A 13 -11.005 36.548 -37.012 1.00 2.60 H ATOM 160 CD2 TYR A 13 -13.678 34.566 -36.335 1.00 2.60 C ATOM 161 HD2 TYR A 13 -14.290 33.786 -36.766 1.00 2.60 H ATOM 162 CE1 TYR A 13 -12.136 36.614 -35.194 1.00 2.60 C ATOM 163 HE1 TYR A 13 -11.559 37.421 -34.773 1.00 2.60 H ATOM 164 CE2 TYR A 13 -13.977 35.052 -35.026 1.00 2.60 C ATOM 165 HE2 TYR A 13 -14.800 34.645 -34.459 1.00 2.60 H ATOM 166 CZ TYR A 13 -13.178 36.047 -34.461 1.00 2.60 C ATOM 167 OH TYR A 13 -13.384 36.477 -33.176 1.00 2.60 O ATOM 168 HH TYR A 13 -12.644 37.000 -32.852 1.00 2.60 H ATOM 169 N THR A 14 -11.007 32.330 -36.474 1.00 29.39 N ATOM 170 H THR A 14 -10.721 33.139 -35.932 1.00 29.39 H ATOM 171 CA THR A 14 -11.419 31.133 -35.745 1.00 29.39 C ATOM 172 HA THR A 14 -11.725 30.367 -36.451 1.00 29.39 H ATOM 173 C THR A 14 -12.627 31.506 -34.892 1.00 29.39 C ATOM 174 O THR A 14 -12.504 32.350 -34.008 1.00 29.39 O ATOM 175 CB THR A 14 -10.266 30.599 -34.869 1.00 29.39 C ATOM 176 HB THR A 14 -10.615 29.751 -34.281 1.00 29.39 H ATOM 177 OG1 THR A 14 -9.799 31.637 -34.002 1.00 29.39 O ATOM 178 HG1 THR A 14 -10.581 32.088 -33.654 1.00 29.39 H ATOM 179 CG2 THR A 14 -9.082 30.181 -35.725 1.00 29.39 C ATOM 180 1HG2 THR A 14 -8.360 29.671 -35.097 1.00 29.39 H ATOM 181 2HG2 THR A 14 -8.617 31.060 -36.169 1.00 29.39 H ATOM 182 3HG2 THR A 14 -9.404 29.503 -36.513 1.00 29.39 H ATOM 183 N SER A 15 -13.796 30.957 -35.208 1.00 -0.46 N ATOM 184 H SER A 15 -13.842 30.201 -35.886 1.00 -0.46 H ATOM 185 CA SER A 15 -15.055 31.467 -34.649 1.00 -0.46 C ATOM 186 HA SER A 15 -15.055 32.548 -34.760 1.00 -0.46 H ATOM 187 C SER A 15 -15.241 31.196 -33.157 1.00 -0.46 C ATOM 188 O SER A 15 -15.883 31.969 -32.455 1.00 -0.46 O ATOM 189 CB SER A 15 -16.244 30.928 -35.446 1.00 -0.46 C ATOM 190 1HB SER A 15 -17.166 31.333 -35.027 1.00 -0.46 H ATOM 191 2HB SER A 15 -16.152 31.260 -36.480 1.00 -0.46 H ATOM 192 OG SER A 15 -16.298 29.513 -35.429 1.00 -0.46 O ATOM 193 HG SER A 15 -15.574 29.159 -35.978 1.00 -0.46 H ATOM 194 N ASP A 16 -14.591 30.158 -32.660 1.00 3.77 N ATOM 195 H ASP A 16 -14.184 29.473 -33.281 1.00 3.77 H ATOM 196 CA ASP A 16 -14.254 30.038 -31.246 1.00 3.77 C ATOM 197 HA ASP A 16 -14.065 31.023 -30.821 1.00 3.77 H ATOM 198 C ASP A 16 -12.973 29.238 -31.399 1.00 3.77 C ATOM 199 O ASP A 16 -12.898 28.420 -32.306 1.00 3.77 O ATOM 200 CB ASP A 16 -15.297 29.275 -30.422 1.00 3.77 C ATOM 201 1HB ASP A 16 -15.225 29.612 -29.387 1.00 3.77 H ATOM 202 2HB ASP A 16 -16.296 29.504 -30.793 1.00 3.77 H ATOM 203 CG ASP A 16 -15.071 27.778 -30.439 1.00 3.77 C ATOM 204 OD1 ASP A 16 -14.285 27.290 -29.589 1.00 3.77 O ATOM 205 OD2 ASP A 16 -15.624 27.074 -31.318 1.00 3.77 O ATOM 206 N CYS A 17 -11.938 29.490 -30.618 1.00 5.86 N ATOM 207 H CYS A 17 -12.021 30.148 -29.861 1.00 5.86 H ATOM 208 CA CYS A 17 -10.649 28.867 -30.916 1.00 5.86 C ATOM 209 HA CYS A 17 -10.405 29.082 -31.957 1.00 5.86 H ATOM 210 C CYS A 17 -10.634 27.340 -30.761 1.00 5.86 C ATOM 211 O CYS A 17 -10.144 26.618 -31.633 1.00 5.86 O ATOM 212 CB CYS A 17 -9.572 29.506 -30.037 1.00 5.86 C ATOM 213 1HB CYS A 17 -9.555 30.578 -30.234 1.00 5.86 H ATOM 214 2HB CYS A 17 -9.841 29.356 -28.992 1.00 5.86 H ATOM 215 SG CYS A 17 -7.890 28.847 -30.271 1.00 5.86 S ATOM 216 N ASN A 18 -11.175 26.821 -29.668 1.00 -5.14 N ATOM 217 H ASN A 18 -11.698 27.406 -29.033 1.00 -5.14 H ATOM 218 CA ASN A 18 -11.008 25.397 -29.377 1.00 -5.14 C ATOM 219 HA ASN A 18 -9.962 25.145 -29.538 1.00 -5.14 H ATOM 220 C ASN A 18 -11.843 24.540 -30.319 1.00 -5.14 C ATOM 221 O ASN A 18 -11.387 23.512 -30.824 1.00 -5.14 O ATOM 222 CB ASN A 18 -11.362 25.096 -27.915 1.00 -5.14 C ATOM 223 1HB ASN A 18 -10.850 25.818 -27.281 1.00 -5.14 H ATOM 224 2HB ASN A 18 -12.437 25.200 -27.769 1.00 -5.14 H ATOM 225 CG ASN A 18 -10.939 23.706 -27.487 1.00 -5.14 C ATOM 226 OD1 ASN A 18 -11.595 22.716 -27.770 1.00 -5.14 O ATOM 227 ND2 ASN A 18 -9.830 23.617 -26.810 1.00 -5.14 N ATOM 228 1HD2 ASN A 18 -9.548 22.727 -26.436 1.00 -5.14 H ATOM 229 2HD2 ASN A 18 -9.250 24.442 -26.677 1.00 -5.14 H ATOM 230 N GLY A 19 -13.056 24.991 -30.590 1.00-20.03 N ATOM 231 H GLY A 19 -13.397 25.861 -30.167 1.00-20.03 H ATOM 232 CA GLY A 19 -13.943 24.278 -31.483 1.00-20.03 C ATOM 233 1HA GLY A 19 -13.898 23.215 -31.258 1.00-20.03 H ATOM 234 2HA GLY A 19 -14.963 24.627 -31.328 1.00-20.03 H ATOM 235 C GLY A 19 -13.576 24.481 -32.933 1.00-20.03 C ATOM 236 O GLY A 19 -13.815 23.577 -33.720 1.00-20.03 O ATOM 237 N GLU A 20 -12.966 25.593 -33.321 1.00-14.77 N ATOM 238 H GLU A 20 -12.780 26.346 -32.660 1.00-14.77 H ATOM 239 CA GLU A 20 -12.596 25.769 -34.728 1.00-14.77 C ATOM 240 HA GLU A 20 -13.474 25.594 -35.344 1.00-14.77 H ATOM 241 C GLU A 20 -11.541 24.757 -35.113 1.00-14.77 C ATOM 242 O GLU A 20 -11.566 24.191 -36.194 1.00-14.77 O ATOM 243 CB GLU A 20 -12.064 27.168 -35.018 1.00-14.77 C ATOM 244 1HB GLU A 20 -12.748 27.896 -34.602 1.00-14.77 H ATOM 245 2HB GLU A 20 -11.091 27.288 -34.542 1.00-14.77 H ATOM 246 CG GLU A 20 -11.938 27.452 -36.487 1.00-14.77 C ATOM 247 1HG GLU A 20 -11.350 28.351 -36.625 1.00-14.77 H ATOM 248 2HG GLU A 20 -11.407 26.635 -36.965 1.00-14.77 H ATOM 249 CD GLU A 20 -13.288 27.637 -37.159 1.00-14.77 C ATOM 250 OE1 GLU A 20 -14.163 28.323 -36.580 1.00-14.77 O ATOM 251 OE2 GLU A 20 -13.480 27.109 -38.275 1.00-14.77 O ATOM 252 N CYS A 21 -10.653 24.453 -34.187 1.00-15.02 N ATOM 253 H CYS A 21 -10.639 24.952 -33.303 1.00-15.02 H ATOM 254 CA CYS A 21 -9.689 23.401 -34.441 1.00-15.02 C ATOM 255 HA CYS A 21 -9.130 23.645 -35.345 1.00-15.02 H ATOM 256 C CYS A 21 -10.369 22.060 -34.688 1.00-15.02 C ATOM 257 O CYS A 21 -9.979 21.342 -35.597 1.00-15.02 O ATOM 258 CB CYS A 21 -8.723 23.356 -33.274 1.00-15.02 C ATOM 259 1HB CYS A 21 -9.279 23.348 -32.338 1.00-15.02 H ATOM 260 2HB CYS A 21 -8.109 22.463 -33.333 1.00-15.02 H ATOM 261 SG CYS A 21 -7.642 24.812 -33.346 1.00-15.02 S ATOM 262 N LYS A 22 -11.452 21.757 -33.985 1.00-18.23 N ATOM 263 H LYS A 22 -11.777 22.395 -33.271 1.00-18.23 H ATOM 264 CA LYS A 22 -12.201 20.523 -34.252 1.00-18.23 C ATOM 265 HA LYS A 22 -11.499 19.688 -34.255 1.00-18.23 H ATOM 266 C LYS A 22 -12.877 20.565 -35.621 1.00-18.23 C ATOM 267 O LYS A 22 -12.906 19.569 -36.331 1.00-18.23 O ATOM 268 CB LYS A 22 -13.255 20.275 -33.170 1.00-18.23 C ATOM 269 1HB LYS A 22 -14.016 21.049 -33.248 1.00-18.23 H ATOM 270 2HB LYS A 22 -13.729 19.311 -33.356 1.00-18.23 H ATOM 271 CG LYS A 22 -12.700 20.299 -31.754 1.00-18.23 C ATOM 272 1HG LYS A 22 -11.935 19.532 -31.637 1.00-18.23 H ATOM 273 2HG LYS A 22 -12.258 21.272 -31.570 1.00-18.23 H ATOM 274 CD LYS A 22 -13.810 20.085 -30.737 1.00-18.23 C ATOM 275 1HD LYS A 22 -14.690 20.643 -31.056 1.00-18.23 H ATOM 276 2HD LYS A 22 -14.063 19.025 -30.687 1.00-18.23 H ATOM 277 CE LYS A 22 -13.399 20.601 -29.364 1.00-18.23 C ATOM 278 1HE LYS A 22 -13.170 21.665 -29.461 1.00-18.23 H ATOM 279 2HE LYS A 22 -14.247 20.505 -28.684 1.00-18.23 H ATOM 280 NZ LYS A 22 -12.210 19.922 -28.756 1.00-18.23 N ATOM 281 1HZ LYS A 22 -11.865 20.482 -27.985 1.00-18.23 H ATOM 282 2HZ LYS A 22 -11.466 19.828 -29.441 1.00-18.23 H ATOM 283 3HZ LYS A 22 -12.456 19.000 -28.429 1.00-18.23 H ATOM 284 N ARG A 23 -13.360 21.736 -36.023 1.00-17.49 N ATOM 285 H ARG A 23 -13.296 22.529 -35.392 1.00-17.49 H ATOM 286 CA ARG A 23 -13.963 21.935 -37.355 1.00-17.49 C ATOM 287 HA ARG A 23 -14.745 21.193 -37.515 1.00-17.49 H ATOM 288 C ARG A 23 -12.925 21.742 -38.457 1.00-17.49 C ATOM 289 O ARG A 23 -13.271 21.430 -39.587 1.00-17.49 O ATOM 290 CB ARG A 23 -14.571 23.344 -37.497 1.00-17.49 C ATOM 291 1HB ARG A 23 -13.784 24.080 -37.346 1.00-17.49 H ATOM 292 2HB ARG A 23 -14.942 23.460 -38.515 1.00-17.49 H ATOM 293 CG ARG A 23 -15.714 23.654 -36.533 1.00-17.49 C ATOM 294 1HG ARG A 23 -16.554 22.992 -36.745 1.00-17.49 H ATOM 295 2HG ARG A 23 -15.382 23.462 -35.523 1.00-17.49 H ATOM 296 CD ARG A 23 -16.185 25.110 -36.607 1.00-17.49 C ATOM 297 1HD ARG A 23 -15.319 25.771 -36.582 1.00-17.49 H ATOM 298 2HD ARG A 23 -16.719 25.270 -37.544 1.00-17.49 H ATOM 299 NE ARG A 23 -17.068 25.405 -35.464 1.00-17.49 N ATOM 300 HE ARG A 23 -17.995 25.022 -35.506 1.00-17.49 H ATOM 301 CZ ARG A 23 -16.732 26.071 -34.364 1.00-17.49 C ATOM 302 NH1 ARG A 23 -17.454 25.939 -33.290 1.00-17.49 N ATOM 303 1HH1 ARG A 23 -18.282 25.378 -33.283 1.00-17.49 H ATOM 304 2HH1 ARG A 23 -17.139 26.414 -32.442 1.00-17.49 H ATOM 305 NH2 ARG A 23 -15.712 26.871 -34.265 1.00-17.49 N ATOM 306 1HH2 ARG A 23 -15.195 27.149 -35.089 1.00-17.49 H ATOM 307 2HH2 ARG A 23 -15.471 27.241 -33.347 1.00-17.49 H ATOM 308 N ARG A 24 -11.656 21.917 -38.117 1.00-17.84 N ATOM 309 H ARG A 24 -11.443 22.182 -37.163 1.00-17.84 H ATOM 310 CA ARG A 24 -10.538 21.787 -39.057 1.00-17.84 C ATOM 311 HA ARG A 24 -10.940 21.689 -40.066 1.00-17.84 H ATOM 312 C ARG A 24 -9.712 20.520 -38.806 1.00-17.84 C ATOM 313 O ARG A 24 -8.608 20.398 -39.318 1.00-17.84 O ATOM 314 CB ARG A 24 -9.690 23.072 -39.011 1.00-17.84 C ATOM 315 1HB ARG A 24 -9.301 23.204 -38.001 1.00-17.84 H ATOM 316 2HB ARG A 24 -8.851 22.973 -39.700 1.00-17.84 H ATOM 317 CG ARG A 24 -10.504 24.319 -39.407 1.00-17.84 C ATOM 318 1HG ARG A 24 -10.895 24.175 -40.413 1.00-17.84 H ATOM 319 2HG ARG A 24 -11.350 24.414 -38.731 1.00-17.84 H ATOM 320 CD ARG A 24 -9.743 25.645 -39.368 1.00-17.84 C ATOM 321 1HD ARG A 24 -9.257 25.755 -38.397 1.00-17.84 H ATOM 322 2HD ARG A 24 -8.994 25.666 -40.160 1.00-17.84 H ATOM 323 NE ARG A 24 -10.720 26.732 -39.551 1.00-17.84 N ATOM 324 HE ARG A 24 -11.692 26.452 -39.605 1.00-17.84 H ATOM 325 CZ ARG A 24 -10.493 28.039 -39.568 1.00-17.84 C ATOM 326 NH1 ARG A 24 -11.525 28.823 -39.668 1.00-17.84 N ATOM 327 1HH1 ARG A 24 -12.455 28.423 -39.704 1.00-17.84 H ATOM 328 2HH1 ARG A 24 -11.409 29.831 -39.616 1.00-17.84 H ATOM 329 NH2 ARG A 24 -9.324 28.605 -39.441 1.00-17.84 N ATOM 330 1HH2 ARG A 24 -8.488 28.053 -39.295 1.00-17.84 H ATOM 331 2HH2 ARG A 24 -9.253 29.607 -39.454 1.00-17.84 H ATOM 332 N GLY A 25 -10.271 19.559 -38.078 1.00-21.19 N ATOM 333 H GLY A 25 -11.172 19.714 -37.644 1.00-21.19 H ATOM 334 CA GLY A 25 -9.665 18.235 -37.953 1.00-21.19 C ATOM 335 1HA GLY A 25 -10.472 17.511 -37.844 1.00-21.19 H ATOM 336 2HA GLY A 25 -9.150 18.009 -38.886 1.00-21.19 H ATOM 337 C GLY A 25 -8.681 17.974 -36.824 1.00-21.19 C ATOM 338 O GLY A 25 -8.066 16.913 -36.764 1.00-21.19 O ATOM 339 N TYR A 26 -8.528 18.925 -35.919 1.00 4.68 N ATOM 340 H TYR A 26 -9.090 19.766 -35.992 1.00 4.68 H ATOM 341 CA TYR A 26 -7.586 18.831 -34.804 1.00 4.68 C ATOM 342 HA TYR A 26 -6.836 18.065 -35.002 1.00 4.68 H ATOM 343 C TYR A 26 -8.294 18.501 -33.491 1.00 4.68 C ATOM 344 O TYR A 26 -9.512 18.620 -33.380 1.00 4.68 O ATOM 345 CB TYR A 26 -6.882 20.174 -34.654 1.00 4.68 C ATOM 346 1HB TYR A 26 -7.635 20.948 -34.592 1.00 4.68 H ATOM 347 2HB TYR A 26 -6.314 20.182 -33.730 1.00 4.68 H ATOM 348 CG TYR A 26 -5.939 20.509 -35.785 1.00 4.68 C ATOM 349 CD1 TYR A 26 -6.399 21.170 -36.943 1.00 4.68 C ATOM 350 HD1 TYR A 26 -7.447 21.415 -37.043 1.00 4.68 H ATOM 351 CD2 TYR A 26 -4.567 20.204 -35.683 1.00 4.68 C ATOM 352 HD2 TYR A 26 -4.196 19.703 -34.801 1.00 4.68 H ATOM 353 CE1 TYR A 26 -5.504 21.510 -37.989 1.00 4.68 C ATOM 354 HE1 TYR A 26 -5.876 21.998 -38.877 1.00 4.68 H ATOM 355 CE2 TYR A 26 -3.667 20.553 -36.725 1.00 4.68 C ATOM 356 HE2 TYR A 26 -2.619 20.311 -36.650 1.00 4.68 H ATOM 357 CZ TYR A 26 -4.147 21.200 -37.865 1.00 4.68 C ATOM 358 OH TYR A 26 -3.269 21.535 -38.864 1.00 4.68 O ATOM 359 HH TYR A 26 -3.708 21.950 -39.610 1.00 4.68 H ATOM 360 N LYS A 27 -7.527 18.133 -32.471 1.00 -8.33 N ATOM 361 H LYS A 27 -6.516 18.127 -32.590 1.00 -8.33 H ATOM 362 CA LYS A 27 -8.083 17.746 -31.167 1.00 -8.33 C ATOM 363 HA LYS A 27 -8.742 16.887 -31.292 1.00 -8.33 H ATOM 364 C LYS A 27 -8.866 18.867 -30.497 1.00 -8.33 C ATOM 365 O LYS A 27 -9.890 18.647 -29.847 1.00 -8.33 O ATOM 366 CB LYS A 27 -6.937 17.406 -30.209 1.00 -8.33 C ATOM 367 1HB LYS A 27 -6.306 18.290 -30.141 1.00 -8.33 H ATOM 368 2HB LYS A 27 -7.353 17.222 -29.218 1.00 -8.33 H ATOM 369 CG LYS A 27 -6.043 16.230 -30.580 1.00 -8.33 C ATOM 370 1HG LYS A 27 -6.580 15.292 -30.435 1.00 -8.33 H ATOM 371 2HG LYS A 27 -5.708 16.314 -31.614 1.00 -8.33 H ATOM 372 CD LYS A 27 -4.838 16.310 -29.662 1.00 -8.33 C ATOM 373 1HD LYS A 27 -4.343 17.260 -29.854 1.00 -8.33 H ATOM 374 2HD LYS A 27 -5.181 16.308 -28.626 1.00 -8.33 H ATOM 375 CE LYS A 27 -3.810 15.209 -29.829 1.00 -8.33 C ATOM 376 1HE LYS A 27 -4.225 14.266 -29.470 1.00 -8.33 H ATOM 377 2HE LYS A 27 -3.532 15.112 -30.881 1.00 -8.33 H ATOM 378 NZ LYS A 27 -2.593 15.593 -29.025 1.00 -8.33 N ATOM 379 1HZ LYS A 27 -2.136 14.772 -28.661 1.00 -8.33 H ATOM 380 2HZ LYS A 27 -2.860 16.209 -28.255 1.00 -8.33 H ATOM 381 3HZ LYS A 27 -1.936 16.085 -29.626 1.00 -8.33 H ATOM 382 N GLY A 28 -8.344 20.075 -30.601 1.00 3.17 N ATOM 383 H GLY A 28 -7.499 20.215 -31.143 1.00 3.17 H ATOM 384 CA GLY A 28 -8.889 21.223 -29.904 1.00 3.17 C ATOM 385 1HA GLY A 28 -9.849 21.518 -30.326 1.00 3.17 H ATOM 386 2HA GLY A 28 -8.979 21.015 -28.838 1.00 3.17 H ATOM 387 C GLY A 28 -7.850 22.289 -30.138 1.00 3.17 C ATOM 388 O GLY A 28 -6.941 22.041 -30.931 1.00 3.17 O ATOM 389 N GLY A 29 -7.939 23.433 -29.484 1.00 6.98 N ATOM 390 H GLY A 29 -8.667 23.593 -28.805 1.00 6.98 H ATOM 391 CA GLY A 29 -6.969 24.489 -29.700 1.00 6.98 C ATOM 392 1HA GLY A 29 -5.966 24.064 -29.669 1.00 6.98 H ATOM 393 2HA GLY A 29 -7.126 24.936 -30.679 1.00 6.98 H ATOM 394 C GLY A 29 -7.054 25.575 -28.656 1.00 6.98 C ATOM 395 O GLY A 29 -8.013 25.614 -27.882 1.00 6.98 O ATOM 396 N TYR A 30 -6.041 26.425 -28.609 1.00-19.65 N ATOM 397 H TYR A 30 -5.328 26.391 -29.337 1.00-19.65 H ATOM 398 CA TYR A 30 -5.871 27.401 -27.538 1.00-19.65 C ATOM 399 HA TYR A 30 -6.827 27.579 -27.049 1.00-19.65 H ATOM 400 C TYR A 30 -5.355 28.690 -28.166 1.00-19.65 C ATOM 401 O TYR A 30 -4.668 28.640 -29.187 1.00-19.65 O ATOM 402 CB TYR A 30 -4.860 26.856 -26.520 1.00-19.65 C ATOM 403 1HB TYR A 30 -3.863 26.914 -26.957 1.00-19.65 H ATOM 404 2HB TYR A 30 -4.881 27.477 -25.624 1.00-19.65 H ATOM 405 CG TYR A 30 -5.127 25.406 -26.151 1.00-19.65 C ATOM 406 CD1 TYR A 30 -4.349 24.368 -26.710 1.00-19.65 C ATOM 407 HD1 TYR A 30 -3.510 24.610 -27.347 1.00-19.65 H ATOM 408 CD2 TYR A 30 -6.197 25.055 -25.299 1.00-19.65 C ATOM 409 HD2 TYR A 30 -6.794 25.828 -24.838 1.00-19.65 H ATOM 410 CE1 TYR A 30 -4.665 23.004 -26.464 1.00-19.65 C ATOM 411 HE1 TYR A 30 -4.064 22.217 -26.891 1.00-19.65 H ATOM 412 CE2 TYR A 30 -6.519 23.686 -25.062 1.00-19.65 C ATOM 413 HE2 TYR A 30 -7.346 23.421 -24.422 1.00-19.65 H ATOM 414 CZ TYR A 30 -5.760 22.676 -25.664 1.00-19.65 C ATOM 415 OH TYR A 30 -6.106 21.362 -25.471 1.00-19.65 O ATOM 416 HH TYR A 30 -5.507 20.740 -25.925 1.00-19.65 H ATOM 417 N CYS A 31 -5.680 29.841 -27.600 1.00 -9.16 N ATOM 418 H CYS A 31 -6.249 29.862 -26.772 1.00 -9.16 H ATOM 419 CA CYS A 31 -5.146 31.097 -28.118 1.00 -9.16 C ATOM 420 HA CYS A 31 -5.137 31.076 -29.204 1.00 -9.16 H ATOM 421 C CYS A 31 -3.717 31.201 -27.597 1.00 -9.16 C ATOM 422 O CYS A 31 -3.403 30.600 -26.573 1.00 -9.16 O ATOM 423 CB CYS A 31 -5.987 32.278 -27.635 1.00 -9.16 C ATOM 424 1HB CYS A 31 -5.883 32.360 -26.552 1.00 -9.16 H ATOM 425 2HB CYS A 31 -5.601 33.190 -28.094 1.00 -9.16 H ATOM 426 SG CYS A 31 -7.742 32.103 -28.047 1.00 -9.16 S ATOM 427 HG CYS A 31 -8.116 33.317 -27.626 1.00 -9.16 H ATOM 428 N GLY A 32 -2.851 31.950 -28.262 1.00 11.99 N ATOM 429 H GLY A 32 -3.122 32.435 -29.116 1.00 11.99 H ATOM 430 CA GLY A 32 -1.489 32.062 -27.770 1.00 11.99 C ATOM 431 1HA GLY A 32 -1.518 32.473 -26.761 1.00 11.99 H ATOM 432 2HA GLY A 32 -1.064 31.061 -27.709 1.00 11.99 H ATOM 433 C GLY A 32 -0.564 32.918 -28.603 1.00 11.99 C ATOM 434 O GLY A 32 -0.985 33.541 -29.586 1.00 11.99 O ATOM 435 N SER A 33 0.708 32.888 -28.222 1.00 35.21 N ATOM 436 H SER A 33 0.952 32.306 -27.435 1.00 35.21 H ATOM 437 CA SER A 33 1.780 33.691 -28.821 1.00 35.21 C ATOM 438 HA SER A 33 2.697 33.478 -28.271 1.00 35.21 H ATOM 439 C SER A 33 1.484 35.182 -28.627 1.00 35.21 C ATOM 440 O SER A 33 0.814 35.551 -27.660 1.00 35.21 O ATOM 441 CB SER A 33 2.023 33.295 -30.285 1.00 35.21 C ATOM 442 1HB SER A 33 2.040 32.207 -30.349 1.00 35.21 H ATOM 443 2HB SER A 33 1.206 33.669 -30.903 1.00 35.21 H ATOM 444 OG SER A 33 3.256 33.795 -30.780 1.00 35.21 O ATOM 445 HG SER A 33 3.567 33.209 -31.480 1.00 35.21 H ATOM 446 N PHE A 34 2.028 36.039 -29.481 1.00-20.61 N ATOM 447 H PHE A 34 2.539 35.674 -30.273 1.00-20.61 H ATOM 448 CA PHE A 34 1.934 37.488 -29.308 1.00-20.61 C ATOM 449 HA PHE A 34 2.499 37.766 -28.419 1.00-20.61 H ATOM 450 C PHE A 34 0.499 37.960 -29.109 1.00-20.61 C ATOM 451 O PHE A 34 -0.351 37.759 -29.976 1.00-20.61 O ATOM 452 CB PHE A 34 2.536 38.211 -30.515 1.00-20.61 C ATOM 453 1HB PHE A 34 3.586 37.931 -30.606 1.00-20.61 H ATOM 454 2HB PHE A 34 2.012 37.886 -31.414 1.00-20.61 H ATOM 455 CG PHE A 34 2.433 39.709 -30.423 1.00-20.61 C ATOM 456 CD1 PHE A 34 3.376 40.447 -29.686 1.00-20.61 C ATOM 457 HD1 PHE A 34 4.202 39.941 -29.205 1.00-20.61 H ATOM 458 CD2 PHE A 34 1.371 40.388 -31.050 1.00-20.61 C ATOM 459 HD2 PHE A 34 0.641 39.833 -31.623 1.00-20.61 H ATOM 460 CE1 PHE A 34 3.253 41.854 -29.554 1.00-20.61 C ATOM 461 HE1 PHE A 34 3.983 42.412 -28.985 1.00-20.61 H ATOM 462 CE2 PHE A 34 1.234 41.792 -30.930 1.00-20.61 C ATOM 463 HE2 PHE A 34 0.408 42.299 -31.409 1.00-20.61 H ATOM 464 CZ PHE A 34 2.175 42.527 -30.174 1.00-20.61 C ATOM 465 HZ PHE A 34 2.075 43.598 -30.077 1.00-20.61 H ATOM 466 N ALA A 35 0.263 38.539 -27.933 1.00 28.11 N ATOM 467 H ALA A 35 1.022 38.580 -27.274 1.00 28.11 H ATOM 468 CA ALA A 35 -1.015 39.110 -27.496 1.00 28.11 C ATOM 469 HA ALA A 35 -0.925 39.294 -26.426 1.00 28.11 H ATOM 470 C ALA A 35 -2.254 38.211 -27.665 1.00 28.11 C ATOM 471 O ALA A 35 -3.374 38.709 -27.678 1.00 28.11 O ATOM 472 CB ALA A 35 -1.214 40.489 -28.158 1.00 28.11 C ATOM 473 1HB ALA A 35 -0.370 41.138 -27.922 1.00 28.11 H ATOM 474 2HB ALA A 35 -2.131 40.949 -27.789 1.00 28.11 H ATOM 475 3HB ALA A 35 -1.282 40.379 -29.237 1.00 28.11 H ATOM 476 N ASN A 36 -2.043 36.905 -27.803 1.00 5.20 N ATOM 477 H ASN A 36 -1.089 36.561 -27.757 1.00 5.20 H ATOM 478 CA ASN A 36 -3.097 35.922 -28.082 1.00 5.20 C ATOM 479 HA ASN A 36 -2.607 34.964 -28.245 1.00 5.20 H ATOM 480 C ASN A 36 -3.884 36.252 -29.355 1.00 5.20 C ATOM 481 O ASN A 36 -5.070 35.947 -29.453 1.00 5.20 O ATOM 482 CB ASN A 36 -4.040 35.752 -26.883 1.00 5.20 C ATOM 483 1HB ASN A 36 -4.577 36.682 -26.710 1.00 5.20 H ATOM 484 2HB ASN A 36 -4.766 34.975 -27.104 1.00 5.20 H ATOM 485 CG ASN A 36 -3.310 35.371 -25.629 1.00 5.20 C ATOM 486 OD1 ASN A 36 -2.508 34.455 -25.618 1.00 5.20 O ATOM 487 ND2 ASN A 36 -3.568 36.075 -24.562 1.00 5.20 N ATOM 488 1HD2 ASN A 36 -3.100 35.830 -23.707 1.00 5.20 H ATOM 489 2HD2 ASN A 36 -4.213 36.844 -24.611 1.00 5.20 H ATOM 490 N VAL A 37 -3.229 36.882 -30.326 1.00 9.30 N ATOM 491 H VAL A 37 -2.256 37.141 -30.183 1.00 9.30 H ATOM 492 CA VAL A 37 -3.873 37.240 -31.596 1.00 9.30 C ATOM 493 HA VAL A 37 -4.790 37.789 -31.396 1.00 9.30 H ATOM 494 C VAL A 37 -4.223 35.961 -32.345 1.00 9.30 C ATOM 495 O VAL A 37 -5.293 35.824 -32.952 1.00 9.30 O ATOM 496 CB VAL A 37 -2.925 38.112 -32.482 1.00 9.30 C ATOM 497 HB VAL A 37 -1.993 37.565 -32.628 1.00 9.30 H ATOM 498 CG1 VAL A 37 -3.524 38.415 -33.863 1.00 9.30 C ATOM 499 1HG1 VAL A 37 -2.840 39.047 -34.431 1.00 9.30 H ATOM 500 2HG1 VAL A 37 -4.475 38.931 -33.752 1.00 9.30 H ATOM 501 3HG1 VAL A 37 -3.672 37.490 -34.423 1.00 9.30 H ATOM 502 CG2 VAL A 37 -2.598 39.436 -31.791 1.00 9.30 C ATOM 503 1HG2 VAL A 37 -1.887 40.003 -32.391 1.00 9.30 H ATOM 504 2HG2 VAL A 37 -2.160 39.253 -30.818 1.00 9.30 H ATOM 505 3HG2 VAL A 37 -3.503 40.024 -31.657 1.00 9.30 H ATOM 506 N ASN A 38 -3.306 35.008 -32.288 1.00 -0.79 N ATOM 507 H ASN A 38 -2.489 35.144 -31.715 1.00 -0.79 H ATOM 508 CA ASN A 38 -3.465 33.762 -33.023 1.00 -0.79 C ATOM 509 HA ASN A 38 -4.133 33.923 -33.862 1.00 -0.79 H ATOM 510 C ASN A 38 -4.077 32.689 -32.146 1.00 -0.79 C ATOM 511 O ASN A 38 -3.900 32.662 -30.927 1.00 -0.79 O ATOM 512 CB ASN A 38 -2.128 33.265 -33.576 1.00 -0.79 C ATOM 513 1HB ASN A 38 -1.375 33.317 -32.794 1.00 -0.79 H ATOM 514 2HB ASN A 38 -2.242 32.225 -33.884 1.00 -0.79 H ATOM 515 CG ASN A 38 -1.667 34.047 -34.774 1.00 -0.79 C ATOM 516 OD1 ASN A 38 -2.365 34.907 -35.284 1.00 -0.79 O ATOM 517 ND2 ASN A 38 -0.488 33.746 -35.246 1.00 -0.79 N ATOM 518 1HD2 ASN A 38 -0.149 34.263 -36.040 1.00 -0.79 H ATOM 519 2HD2 ASN A 38 0.051 33.007 -34.830 1.00 -0.79 H ATOM 520 N CYS A 39 -4.752 31.776 -32.818 1.00 6.64 N ATOM 521 H CYS A 39 -4.813 31.847 -33.833 1.00 6.64 H ATOM 522 CA CYS A 39 -5.312 30.582 -32.215 1.00 6.64 C ATOM 523 HA CYS A 39 -5.242 30.600 -31.132 1.00 6.64 H ATOM 524 C CYS A 39 -4.397 29.498 -32.773 1.00 6.64 C ATOM 525 O CYS A 39 -3.909 29.618 -33.904 1.00 6.64 O ATOM 526 CB CYS A 39 -6.769 30.432 -32.661 1.00 6.64 C ATOM 527 1HB CYS A 39 -7.358 31.237 -32.221 1.00 6.64 H ATOM 528 2HB CYS A 39 -6.796 30.554 -33.743 1.00 6.64 H ATOM 529 SG CYS A 39 -7.558 28.837 -32.270 1.00 6.64 S ATOM 530 N TRP A 40 -4.118 28.477 -31.982 1.00 -3.20 N ATOM 531 H TRP A 40 -4.532 28.429 -31.051 1.00 -3.20 H ATOM 532 CA TRP A 40 -3.199 27.412 -32.355 1.00 -3.20 C ATOM 533 HA TRP A 40 -2.931 27.486 -33.405 1.00 -3.20 H ATOM 534 C TRP A 40 -3.949 26.123 -32.094 1.00 -3.20 C ATOM 535 O TRP A 40 -4.660 26.035 -31.101 1.00 -3.20 O ATOM 536 CB TRP A 40 -1.943 27.497 -31.484 1.00 -3.20 C ATOM 537 1HB TRP A 40 -2.229 27.337 -30.444 1.00 -3.20 H ATOM 538 2HB TRP A 40 -1.242 26.716 -31.780 1.00 -3.20 H ATOM 539 CG TRP A 40 -1.282 28.843 -31.589 1.00 -3.20 C ATOM 540 CD1 TRP A 40 -1.558 29.948 -30.845 1.00 -3.20 C ATOM 541 HD1 TRP A 40 -2.291 29.967 -30.046 1.00 -3.20 H ATOM 542 CD2 TRP A 40 -0.256 29.251 -32.511 1.00 -3.20 C ATOM 543 NE1 TRP A 40 -0.825 31.024 -31.253 1.00 -3.20 N ATOM 544 HE1 TRP A 40 -0.905 31.953 -30.845 1.00 -3.20 H ATOM 545 CE2 TRP A 40 -0.014 30.637 -32.285 1.00 -3.20 C ATOM 546 CE3 TRP A 40 0.487 28.587 -33.507 1.00 -3.20 C ATOM 547 HE3 TRP A 40 0.334 27.534 -33.689 1.00 -3.20 H ATOM 548 CZ2 TRP A 40 0.914 31.376 -33.051 1.00 -3.20 C ATOM 549 HZ2 TRP A 40 1.066 32.428 -32.872 1.00 -3.20 H ATOM 550 CZ3 TRP A 40 1.438 29.321 -34.266 1.00 -3.20 C ATOM 551 HZ3 TRP A 40 2.021 28.819 -35.025 1.00 -3.20 H ATOM 552 CH2 TRP A 40 1.630 30.713 -34.032 1.00 -3.20 C ATOM 553 HH2 TRP A 40 2.353 31.255 -34.626 1.00 -3.20 H ATOM 554 N CYS A 41 -3.815 25.142 -32.969 1.00-14.71 N ATOM 555 H CYS A 41 -3.166 25.248 -33.742 1.00-14.71 H ATOM 556 CA CYS A 41 -4.520 23.878 -32.821 1.00-14.71 C ATOM 557 HA CYS A 41 -5.343 23.992 -32.120 1.00-14.71 H ATOM 558 C CYS A 41 -3.601 22.804 -32.293 1.00-14.71 C ATOM 559 O CYS A 41 -2.425 22.723 -32.660 1.00-14.71 O ATOM 560 CB CYS A 41 -5.068 23.382 -34.152 1.00-14.71 C ATOM 561 1HB CYS A 41 -4.249 23.294 -34.867 1.00-14.71 H ATOM 562 2HB CYS A 41 -5.464 22.388 -33.974 1.00-14.71 H ATOM 563 SG CYS A 41 -6.401 24.368 -34.893 1.00-14.71 S ATOM 564 N GLU A 42 -4.160 21.944 -31.463 1.00 -1.68 N ATOM 565 H GLU A 42 -5.145 22.040 -31.219 1.00 -1.68 H ATOM 566 CA GLU A 42 -3.427 20.830 -30.904 1.00 -1.68 C ATOM 567 HA GLU A 42 -2.372 21.090 -30.850 1.00 -1.68 H ATOM 568 C GLU A 42 -3.607 19.595 -31.779 1.00 -1.68 C ATOM 569 O GLU A 42 -4.719 19.184 -32.116 1.00 -1.68 O ATOM 570 CB GLU A 42 -3.932 20.527 -29.495 1.00 -1.68 C ATOM 571 1HB GLU A 42 -4.064 21.467 -28.962 1.00 -1.68 H ATOM 572 2HB GLU A 42 -4.900 20.035 -29.574 1.00 -1.68 H ATOM 573 CG GLU A 42 -2.981 19.646 -28.703 1.00 -1.68 C ATOM 574 1HG GLU A 42 -2.607 18.857 -29.354 1.00 -1.68 H ATOM 575 2HG GLU A 42 -2.133 20.244 -28.368 1.00 -1.68 H ATOM 576 CD GLU A 42 -3.656 18.989 -27.519 1.00 -1.68 C ATOM 577 OE1 GLU A 42 -4.522 19.617 -26.875 1.00 -1.68 O ATOM 578 OE2 GLU A 42 -3.351 17.797 -27.279 1.00 -1.68 O ATOM 579 N THR A 43 -2.485 18.977 -32.096 1.00 16.08 N ATOM 580 H THR A 43 -1.592 19.387 -31.860 1.00 16.08 H ATOM 581 CA THR A 43 -2.408 17.603 -32.558 1.00 16.08 C ATOM 582 HA THR A 43 -3.213 17.013 -32.127 1.00 16.08 H ATOM 583 C THR A 43 -1.100 17.271 -31.870 1.00 16.08 C ATOM 584 O THR A 43 -0.306 18.241 -31.733 1.00 16.08 O ATOM 585 OXT THR A 43 -0.931 16.148 -31.372 1.00 16.08 O ATOM 586 CB THR A 43 -2.404 17.414 -34.093 1.00 16.08 C ATOM 587 HB THR A 43 -3.370 17.727 -34.486 1.00 16.08 H ATOM 588 OG1 THR A 43 -2.212 16.029 -34.384 1.00 16.08 O ATOM 589 HG1 THR A 43 -1.562 15.680 -33.765 1.00 16.08 H ATOM 590 CG2 THR A 43 -1.316 18.202 -34.808 1.00 16.08 C ATOM 591 1HG2 THR A 43 -1.388 18.000 -35.877 1.00 16.08 H ATOM 592 2HG2 THR A 43 -0.335 17.887 -34.454 1.00 16.08 H ATOM 593 3HG2 THR A 43 -1.461 19.266 -34.640 1.00 16.08 H TER 594 THR A 43 CONECT 215 212 529 CONECT 261 258 563 CONECT 529 215 526 CONECT 563 261 560 END
SEQUENCE	AAAAGSVWGAVNYTSDCNGECKRRGYKGGYCGSFANVNCWCET
HELICITY	23.30	INSTAB. INDEX	29.09	FLEXIBILITY	17.84
a HYD. MOM.	42.14	b HYD. MOM.	16.61	c HYD. MOM	4.14
a MEAN HYD. MOM.	0.98	b MEAN HYD. MOM.	0.39	c MEAN HYD. MOM.	0.10
CHARGE pH5	1.37	CHARGE pH7	0.78	CHARGE pH9	-3.62
Δ CHARGE pH5-pH9	4.99	ISOELECTRIC POINT	7.84	BOMAN INDEX	1.44
ΔG	27	CPP	-0,50	MLP	-10,20
MOLECULAR VOLUME		POLARITY
MIC E. coli	100	MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus		MIC M. luteus	17	MIC B. subtilis
MIC C. albicans		OTHER
MIC OTHER gram+	B. megaterium = 37
MIC OTHER gram-
PHYLUM	Synthetic	CLASS	Synthetic	ORDER	Synthetic
FAMILY	Synthetic	GENUS	Synthetic	SPECIES	Synthetic
DATE	2000
TITLE PAPER	Solution structures of the antigungal heliomicin and a selected variant whit both antibacterial and antifungal activities