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ID	2353	NAME	Smd2   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\ATCDLLSMWNVNHSACAAHCLLLGKSGGRCNDDAVCVCRK.pdb REMARK YASARA Written on: Wed May 14 19:20:15 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 569 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: DEFENSIN, MUTANT DEF-ABB; SEQRES 1 A 40 ALA THR CYS ASP LEU LEU SER MET TRP ASN VAL ASN HIS SEQRES 2 A 40 SER ALA CYS ALA ALA HIS CYS LEU LEU LEU GLY LYS SER SEQRES 3 A 40 GLY GLY ARG CYS ASN ASP ASP ALA VAL CYS VAL CYS ARG SEQRES 4 A 40 LYS 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 3 CYS A 30 2.03 SSBOND 3 CYS A 16 CYS A 36 2.03 SSBOND 5 CYS A 20 CYS A 38 2.02 ATOM 1 N ALA A 1 20.523 -22.489 -37.240 1.00-27.56 N ATOM 2 1H ALA A 1 20.858 -21.642 -37.674 1.00-27.56 H ATOM 3 2H ALA A 1 20.842 -22.522 -36.280 1.00-27.56 H ATOM 4 3H ALA A 1 19.511 -22.486 -37.243 1.00-27.56 H ATOM 5 CA ALA A 1 21.027 -23.684 -37.973 1.00-27.56 C ATOM 6 HA ALA A 1 20.670 -23.627 -39.001 1.00-27.56 H ATOM 7 C ALA A 1 20.435 -24.938 -37.341 1.00-27.56 C ATOM 8 O ALA A 1 19.257 -24.930 -37.029 1.00-27.56 O ATOM 9 CB ALA A 1 22.583 -23.705 -37.984 1.00-27.56 C ATOM 10 1HB ALA A 1 22.960 -22.782 -38.428 1.00-27.56 H ATOM 11 2HB ALA A 1 22.948 -24.546 -38.577 1.00-27.56 H ATOM 12 3HB ALA A 1 22.965 -23.781 -36.964 1.00-27.56 H ATOM 13 N THR A 2 21.217 -25.988 -37.118 1.00 20.94 N ATOM 14 H THR A 2 22.193 -25.990 -37.390 1.00 20.94 H ATOM 15 CA THR A 2 20.747 -27.197 -36.437 1.00 20.94 C ATOM 16 HA THR A 2 19.819 -27.560 -36.879 1.00 20.94 H ATOM 17 C THR A 2 20.514 -26.931 -34.953 1.00 20.94 C ATOM 18 O THR A 2 19.735 -27.603 -34.288 1.00 20.94 O ATOM 19 CB THR A 2 21.853 -28.243 -36.569 1.00 20.94 C ATOM 20 HB THR A 2 21.874 -28.894 -35.694 1.00 20.94 H ATOM 21 OG1 THR A 2 23.087 -27.530 -36.711 1.00 20.94 O ATOM 22 HG1 THR A 2 23.672 -27.785 -35.973 1.00 20.94 H ATOM 23 CG2 THR A 2 21.690 -29.068 -37.831 1.00 20.94 C ATOM 24 1HG2 THR A 2 22.515 -29.777 -37.902 1.00 20.94 H ATOM 25 2HG2 THR A 2 21.699 -28.423 -38.709 1.00 20.94 H ATOM 26 3HG2 THR A 2 20.751 -29.621 -37.792 1.00 20.94 H ATOM 27 N CYS A 3 21.184 -25.898 -34.474 1.00 29.07 N ATOM 28 H CYS A 3 21.837 -25.419 -35.070 1.00 29.07 H ATOM 29 CA CYS A 3 20.984 -25.315 -33.160 1.00 29.07 C ATOM 30 HA CYS A 3 20.041 -25.639 -32.718 1.00 29.07 H ATOM 31 C CYS A 3 20.937 -23.839 -33.552 1.00 29.07 C ATOM 32 O CYS A 3 21.480 -23.496 -34.614 1.00 29.07 O ATOM 33 CB CYS A 3 22.172 -25.664 -32.261 1.00 29.07 C ATOM 34 1HB CYS A 3 23.082 -25.328 -32.750 1.00 29.07 H ATOM 35 2HB CYS A 3 22.079 -25.133 -31.321 1.00 29.07 H ATOM 36 SG CYS A 3 22.311 -27.449 -31.920 1.00 29.07 S ATOM 37 N ASP A 4 20.269 -22.990 -32.787 1.00 22.40 N ATOM 38 H ASP A 4 19.892 -23.297 -31.891 1.00 22.40 H ATOM 39 CA ASP A 4 20.080 -21.577 -33.124 1.00 22.40 C ATOM 40 HA ASP A 4 21.015 -21.146 -33.484 1.00 22.40 H ATOM 41 C ASP A 4 19.639 -20.910 -31.830 1.00 22.40 C ATOM 42 O ASP A 4 19.063 -21.597 -31.002 1.00 22.40 O ATOM 43 CB ASP A 4 18.983 -21.398 -34.175 1.00 22.40 C ATOM 44 1HB ASP A 4 19.007 -22.250 -34.853 1.00 22.40 H ATOM 45 2HB ASP A 4 18.009 -21.374 -33.685 1.00 22.40 H ATOM 46 CG ASP A 4 19.181 -20.139 -34.992 1.00 22.40 C ATOM 47 OD1 ASP A 4 19.174 -20.245 -36.237 1.00 22.40 O ATOM 48 OD2 ASP A 4 19.432 -19.068 -34.402 1.00 22.40 O ATOM 49 N LEU A 5 19.823 -19.608 -31.666 1.00-10.95 N ATOM 50 H LEU A 5 20.041 -19.048 -32.491 1.00-10.95 H ATOM 51 CA LEU A 5 19.738 -18.944 -30.356 1.00-10.95 C ATOM 52 HA LEU A 5 20.379 -19.486 -29.664 1.00-10.95 H ATOM 53 C LEU A 5 18.351 -18.908 -29.713 1.00-10.95 C ATOM 54 O LEU A 5 18.199 -18.596 -28.536 1.00-10.95 O ATOM 55 CB LEU A 5 20.262 -17.510 -30.472 1.00-10.95 C ATOM 56 1HB LEU A 5 19.638 -16.984 -31.195 1.00-10.95 H ATOM 57 2HB LEU A 5 20.127 -17.025 -29.505 1.00-10.95 H ATOM 58 CG LEU A 5 21.732 -17.326 -30.882 1.00-10.95 C ATOM 59 HG LEU A 5 21.903 -17.845 -31.825 1.00-10.95 H ATOM 60 CD1 LEU A 5 22.020 -15.842 -31.099 1.00-10.95 C ATOM 61 1HD1 LEU A 5 23.053 -15.713 -31.422 1.00-10.95 H ATOM 62 2HD1 LEU A 5 21.858 -15.286 -30.174 1.00-10.95 H ATOM 63 3HD1 LEU A 5 21.363 -15.451 -31.877 1.00-10.95 H ATOM 64 CD2 LEU A 5 22.703 -17.888 -29.837 1.00-10.95 C ATOM 65 1HD2 LEU A 5 23.730 -17.712 -30.156 1.00-10.95 H ATOM 66 2HD2 LEU A 5 22.556 -18.962 -29.736 1.00-10.95 H ATOM 67 3HD2 LEU A 5 22.536 -17.408 -28.872 1.00-10.95 H ATOM 68 N LEU A 6 17.331 -19.260 -30.477 1.00 -7.96 N ATOM 69 H LEU A 6 17.508 -19.490 -31.442 1.00 -7.96 H ATOM 70 CA LEU A 6 15.972 -19.373 -29.951 1.00 -7.96 C ATOM 71 HA LEU A 6 15.768 -18.536 -29.282 1.00 -7.96 H ATOM 72 C LEU A 6 15.783 -20.677 -29.174 1.00 -7.96 C ATOM 73 O LEU A 6 14.826 -20.830 -28.416 1.00 -7.96 O ATOM 74 CB LEU A 6 14.972 -19.354 -31.113 1.00 -7.96 C ATOM 75 1HB LEU A 6 15.167 -20.233 -31.728 1.00 -7.96 H ATOM 76 2HB LEU A 6 13.972 -19.460 -30.692 1.00 -7.96 H ATOM 77 CG LEU A 6 14.968 -18.128 -32.041 1.00 -7.96 C ATOM 78 HG LEU A 6 15.967 -17.997 -32.454 1.00 -7.96 H ATOM 79 CD1 LEU A 6 14.007 -18.371 -33.202 1.00 -7.96 C ATOM 80 1HD1 LEU A 6 14.035 -17.521 -33.885 1.00 -7.96 H ATOM 81 2HD1 LEU A 6 12.989 -18.504 -32.833 1.00 -7.96 H ATOM 82 3HD1 LEU A 6 14.312 -19.263 -33.751 1.00 -7.96 H ATOM 83 CD2 LEU A 6 14.576 -16.841 -31.317 1.00 -7.96 C ATOM 84 1HD2 LEU A 6 14.558 -16.012 -32.024 1.00 -7.96 H ATOM 85 2HD2 LEU A 6 15.310 -16.617 -30.542 1.00 -7.96 H ATOM 86 3HD2 LEU A 6 13.591 -16.951 -30.860 1.00 -7.96 H ATOM 87 N SER A 7 16.671 -21.639 -29.375 1.00 41.18 N ATOM 88 H SER A 7 17.518 -21.440 -29.903 1.00 41.18 H ATOM 89 CA SER A 7 16.494 -22.995 -28.855 1.00 41.18 C ATOM 90 HA SER A 7 15.472 -23.313 -29.059 1.00 41.18 H ATOM 91 C SER A 7 16.741 -23.059 -27.353 1.00 41.18 C ATOM 92 O SER A 7 17.877 -23.163 -26.913 1.00 41.18 O ATOM 93 CB SER A 7 17.454 -23.952 -29.557 1.00 41.18 C ATOM 94 1HB SER A 7 18.473 -23.693 -29.277 1.00 41.18 H ATOM 95 2HB SER A 7 17.242 -24.975 -29.246 1.00 41.18 H ATOM 96 OG SER A 7 17.342 -23.837 -30.964 1.00 41.18 O ATOM 97 HG SER A 7 17.814 -23.031 -31.218 1.00 41.18 H ATOM 98 N MET A 8 15.661 -22.953 -26.586 1.00 6.93 N ATOM 99 H MET A 8 14.764 -22.882 -27.046 1.00 6.93 H ATOM 100 CA MET A 8 15.683 -22.810 -25.123 1.00 6.93 C ATOM 101 HA MET A 8 14.649 -22.735 -24.789 1.00 6.93 H ATOM 102 C MET A 8 16.378 -21.500 -24.735 1.00 6.93 C ATOM 103 O MET A 8 16.968 -21.408 -23.662 1.00 6.93 O ATOM 104 CB MET A 8 16.324 -24.012 -24.399 1.00 6.93 C ATOM 105 1HB MET A 8 17.385 -24.045 -24.637 1.00 6.93 H ATOM 106 2HB MET A 8 16.229 -23.857 -23.325 1.00 6.93 H ATOM 107 CG MET A 8 15.717 -25.367 -24.751 1.00 6.93 C ATOM 108 1HG MET A 8 14.661 -25.367 -24.482 1.00 6.93 H ATOM 109 2HG MET A 8 15.805 -25.521 -25.826 1.00 6.93 H ATOM 110 SD MET A 8 16.548 -26.744 -23.911 1.00 6.93 S ATOM 111 CE MET A 8 15.964 -26.584 -22.207 1.00 6.93 C ATOM 112 1HE MET A 8 16.360 -27.402 -21.606 1.00 6.93 H ATOM 113 2HE MET A 8 14.874 -26.622 -22.189 1.00 6.93 H ATOM 114 3HE MET A 8 16.300 -25.635 -21.788 1.00 6.93 H ATOM 115 N TRP A 9 16.309 -20.520 -25.635 1.00-14.54 N ATOM 116 H TRP A 9 15.793 -20.684 -26.491 1.00-14.54 H ATOM 117 CA TRP A 9 16.951 -19.204 -25.482 1.00-14.54 C ATOM 118 HA TRP A 9 16.840 -18.676 -26.428 1.00-14.54 H ATOM 119 C TRP A 9 18.449 -19.333 -25.219 1.00-14.54 C ATOM 120 O TRP A 9 19.050 -18.660 -24.381 1.00-14.54 O ATOM 121 CB TRP A 9 16.228 -18.367 -24.425 1.00-14.54 C ATOM 122 1HB TRP A 9 16.396 -18.797 -23.438 1.00-14.54 H ATOM 123 2HB TRP A 9 16.625 -17.352 -24.442 1.00-14.54 H ATOM 124 CG TRP A 9 14.754 -18.326 -24.703 1.00-14.54 C ATOM 125 CD1 TRP A 9 13.767 -18.930 -23.990 1.00-14.54 C ATOM 126 HD1 TRP A 9 13.943 -19.512 -23.094 1.00-14.54 H ATOM 127 CD2 TRP A 9 14.089 -17.669 -25.800 1.00-14.54 C ATOM 128 NE1 TRP A 9 12.538 -18.714 -24.553 1.00-14.54 N ATOM 129 HE1 TRP A 9 11.670 -19.066 -24.180 1.00-14.54 H ATOM 130 CE2 TRP A 9 12.697 -17.949 -25.676 1.00-14.54 C ATOM 131 CE3 TRP A 9 14.529 -16.882 -26.885 1.00-14.54 C ATOM 132 HE3 TRP A 9 15.579 -16.657 -27.006 1.00-14.54 H ATOM 133 CZ2 TRP A 9 11.746 -17.467 -26.600 1.00-14.54 C ATOM 134 HZ2 TRP A 9 10.697 -17.691 -26.482 1.00-14.54 H ATOM 135 CZ3 TRP A 9 13.573 -16.381 -27.807 1.00-14.54 C ATOM 136 HZ3 TRP A 9 13.898 -15.759 -28.628 1.00-14.54 H ATOM 137 CH2 TRP A 9 12.190 -16.687 -27.654 1.00-14.54 C ATOM 138 HH2 TRP A 9 11.477 -16.300 -28.368 1.00-14.54 H ATOM 139 N ASN A 10 19.030 -20.279 -25.934 1.00 26.31 N ATOM 140 H ASN A 10 18.514 -20.715 -26.691 1.00 26.31 H ATOM 141 CA ASN A 10 20.380 -20.764 -25.730 1.00 26.31 C ATOM 142 HA ASN A 10 21.044 -19.978 -25.370 1.00 26.31 H ATOM 143 C ASN A 10 20.719 -21.184 -27.154 1.00 26.31 C ATOM 144 O ASN A 10 19.818 -21.214 -27.981 1.00 26.31 O ATOM 145 CB ASN A 10 20.311 -21.951 -24.756 1.00 26.31 C ATOM 146 1HB ASN A 10 19.788 -21.627 -23.856 1.00 26.31 H ATOM 147 2HB ASN A 10 19.739 -22.755 -25.213 1.00 26.31 H ATOM 148 CG ASN A 10 21.659 -22.479 -24.365 1.00 26.31 C ATOM 149 OD1 ASN A 10 22.303 -23.204 -25.120 1.00 26.31 O ATOM 150 ND2 ASN A 10 22.096 -22.150 -23.185 1.00 26.31 N ATOM 151 1HD2 ASN A 10 22.977 -22.514 -22.863 1.00 26.31 H ATOM 152 2HD2 ASN A 10 21.544 -21.539 -22.602 1.00 26.31 H ATOM 153 N VAL A 11 21.960 -21.554 -27.442 1.00 27.10 N ATOM 154 H VAL A 11 22.675 -21.503 -26.734 1.00 27.10 H ATOM 155 CA VAL A 11 22.310 -22.124 -28.744 1.00 27.10 C ATOM 156 HA VAL A 11 22.071 -21.410 -29.533 1.00 27.10 H ATOM 157 C VAL A 11 21.445 -23.371 -28.941 1.00 27.10 C ATOM 158 O VAL A 11 20.907 -23.584 -30.019 1.00 27.10 O ATOM 159 CB VAL A 11 23.829 -22.489 -28.800 1.00 27.10 C ATOM 160 HB VAL A 11 24.042 -23.188 -27.991 1.00 27.10 H ATOM 161 CG1 VAL A 11 24.215 -23.157 -30.125 1.00 27.10 C ATOM 162 1HG1 VAL A 11 25.290 -23.344 -30.146 1.00 27.10 H ATOM 163 2HG1 VAL A 11 23.948 -22.517 -30.968 1.00 27.10 H ATOM 164 3HG1 VAL A 11 23.709 -24.114 -30.220 1.00 27.10 H ATOM 165 CG2 VAL A 11 24.697 -21.239 -28.588 1.00 27.10 C ATOM 166 1HG2 VAL A 11 25.754 -21.515 -28.622 1.00 27.10 H ATOM 167 2HG2 VAL A 11 24.499 -20.787 -27.619 1.00 27.10 H ATOM 168 3HG2 VAL A 11 24.504 -20.506 -29.374 1.00 27.10 H ATOM 169 N ASN A 12 21.293 -24.145 -27.869 1.00 52.60 N ATOM 170 H ASN A 12 21.774 -23.859 -27.029 1.00 52.60 H ATOM 171 CA ASN A 12 20.415 -25.326 -27.787 1.00 52.60 C ATOM 172 HA ASN A 12 19.378 -25.017 -27.891 1.00 52.60 H ATOM 173 C ASN A 12 20.563 -26.002 -26.428 1.00 52.60 C ATOM 174 O ASN A 12 19.641 -26.646 -25.933 1.00 52.60 O ATOM 175 CB ASN A 12 20.758 -26.339 -28.893 1.00 52.60 C ATOM 176 1HB ASN A 12 20.426 -25.944 -29.848 1.00 52.60 H ATOM 177 2HB ASN A 12 21.830 -26.468 -28.926 1.00 52.60 H ATOM 178 CG ASN A 12 20.117 -27.684 -28.712 1.00 52.60 C ATOM 179 OD1 ASN A 12 20.606 -28.531 -27.974 1.00 52.60 O ATOM 180 ND2 ASN A 12 19.064 -27.925 -29.442 1.00 52.60 N ATOM 181 1HD2 ASN A 12 18.630 -28.829 -29.390 1.00 52.60 H ATOM 182 2HD2 ASN A 12 18.709 -27.219 -30.066 1.00 52.60 H ATOM 183 N HIS A 13 21.758 -25.909 -25.859 1.00 28.15 N ATOM 184 H HIS A 13 22.091 -25.007 -25.529 1.00 28.15 H ATOM 185 CA HIS A 13 22.655 -27.061 -25.786 1.00 28.15 C ATOM 186 HA HIS A 13 22.660 -27.531 -26.768 1.00 28.15 H ATOM 187 C HIS A 13 22.210 -28.124 -24.793 1.00 28.15 C ATOM 188 O HIS A 13 22.638 -29.275 -24.873 1.00 28.15 O ATOM 189 CB HIS A 13 24.088 -26.613 -25.486 1.00 28.15 C ATOM 190 1HB HIS A 13 24.748 -27.453 -25.664 1.00 28.15 H ATOM 191 2HB HIS A 13 24.359 -25.809 -26.171 1.00 28.15 H ATOM 192 CG HIS A 13 24.318 -26.152 -24.081 1.00 28.15 C ATOM 193 ND1 HIS A 13 24.556 -26.989 -23.012 1.00 28.15 N ATOM 194 HD1 HIS A 13 24.571 -28.001 -23.032 1.00 28.15 H ATOM 195 CD2 HIS A 13 24.401 -24.898 -23.570 1.00 28.15 C ATOM 196 HD2 HIS A 13 24.280 -23.990 -24.143 1.00 28.15 H ATOM 197 CE1 HIS A 13 24.756 -26.230 -21.931 1.00 28.15 C ATOM 198 HE1 HIS A 13 24.957 -26.616 -20.940 1.00 28.15 H ATOM 199 NE2 HIS A 13 24.680 -24.948 -22.224 1.00 28.15 N ATOM 200 N SER A 14 21.329 -27.743 -23.884 1.00 5.68 N ATOM 201 H SER A 14 21.013 -26.779 -23.864 1.00 5.68 H ATOM 202 CA SER A 14 20.715 -28.646 -22.927 1.00 5.68 C ATOM 203 HA SER A 14 21.483 -29.137 -22.329 1.00 5.68 H ATOM 204 C SER A 14 19.870 -29.712 -23.616 1.00 5.68 C ATOM 205 O SER A 14 19.823 -30.846 -23.154 1.00 5.68 O ATOM 206 CB SER A 14 19.831 -27.793 -22.025 1.00 5.68 C ATOM 207 1HB SER A 14 18.900 -28.317 -21.806 1.00 5.68 H ATOM 208 2HB SER A 14 20.362 -27.586 -21.095 1.00 5.68 H ATOM 209 OG SER A 14 19.569 -26.562 -22.691 1.00 5.68 O ATOM 210 HG SER A 14 18.680 -26.592 -23.073 1.00 5.68 H ATOM 211 N ALA A 15 19.229 -29.387 -24.731 1.00 -5.83 N ATOM 212 H ALA A 15 19.288 -28.439 -25.100 1.00 -5.83 H ATOM 213 CA ALA A 15 18.416 -30.381 -25.429 1.00 -5.83 C ATOM 214 HA ALA A 15 17.761 -30.860 -24.698 1.00 -5.83 H ATOM 215 C ALA A 15 19.297 -31.475 -26.051 1.00 -5.83 C ATOM 216 O ALA A 15 18.996 -32.658 -25.940 1.00 -5.83 O ATOM 217 CB ALA A 15 17.543 -29.700 -26.485 1.00 -5.83 C ATOM 218 1HB ALA A 15 16.865 -28.995 -26.001 1.00 -5.83 H ATOM 219 2HB ALA A 15 16.955 -30.453 -27.013 1.00 -5.83 H ATOM 220 3HB ALA A 15 18.165 -29.165 -27.195 1.00 -5.83 H ATOM 221 N CYS A 16 20.415 -31.083 -26.647 1.00 1.22 N ATOM 222 H CYS A 16 20.590 -30.089 -26.760 1.00 1.22 H ATOM 223 CA CYS A 16 21.404 -32.032 -27.165 1.00 1.22 C ATOM 224 HA CYS A 16 20.934 -32.701 -27.886 1.00 1.22 H ATOM 225 C CYS A 16 21.947 -32.880 -26.015 1.00 1.22 C ATOM 226 O CYS A 16 22.030 -34.100 -26.127 1.00 1.22 O ATOM 227 CB CYS A 16 22.536 -31.255 -27.855 1.00 1.22 C ATOM 228 1HB CYS A 16 22.158 -30.853 -28.795 1.00 1.22 H ATOM 229 2HB CYS A 16 22.783 -30.411 -27.214 1.00 1.22 H ATOM 230 SG CYS A 16 24.098 -32.146 -28.178 1.00 1.22 S ATOM 231 N ALA A 17 22.250 -32.254 -24.884 1.00 -5.99 N ATOM 232 H ALA A 17 22.157 -31.246 -24.824 1.00 -5.99 H ATOM 233 CA ALA A 17 22.740 -32.989 -23.722 1.00 -5.99 C ATOM 234 HA ALA A 17 23.651 -33.512 -24.016 1.00 -5.99 H ATOM 235 C ALA A 17 21.734 -34.038 -23.236 1.00 -5.99 C ATOM 236 O ALA A 17 22.111 -35.167 -22.934 1.00 -5.99 O ATOM 237 CB ALA A 17 23.069 -32.010 -22.588 1.00 -5.99 C ATOM 238 1HB ALA A 17 23.725 -31.222 -22.956 1.00 -5.99 H ATOM 239 2HB ALA A 17 23.569 -32.543 -21.780 1.00 -5.99 H ATOM 240 3HB ALA A 17 22.155 -31.561 -22.202 1.00 -5.99 H ATOM 241 N ALA A 18 20.462 -33.670 -23.171 1.00 -9.15 N ATOM 242 H ALA A 18 20.206 -32.717 -23.413 1.00 -9.15 H ATOM 243 CA ALA A 18 19.415 -34.579 -22.715 1.00 -9.15 C ATOM 244 HA ALA A 18 19.726 -35.018 -21.766 1.00 -9.15 H ATOM 245 C ALA A 18 19.186 -35.717 -23.710 1.00 -9.15 C ATOM 246 O ALA A 18 18.998 -36.866 -23.315 1.00 -9.15 O ATOM 247 CB ALA A 18 18.117 -33.791 -22.494 1.00 -9.15 C ATOM 248 1HB ALA A 18 18.285 -33.002 -21.759 1.00 -9.15 H ATOM 249 2HB ALA A 18 17.341 -34.464 -22.125 1.00 -9.15 H ATOM 250 3HB ALA A 18 17.785 -33.343 -23.433 1.00 -9.15 H ATOM 251 N HIS A 19 19.215 -35.411 -24.999 1.00 0.44 N ATOM 252 H HIS A 19 19.341 -34.444 -25.289 1.00 0.44 H ATOM 253 CA HIS A 19 19.036 -36.441 -26.017 1.00 0.44 C ATOM 254 HA HIS A 19 18.105 -36.972 -25.819 1.00 0.44 H ATOM 255 C HIS A 19 20.196 -37.429 -25.937 1.00 0.44 C ATOM 256 O HIS A 19 20.006 -38.638 -26.010 1.00 0.44 O ATOM 257 CB HIS A 19 18.968 -35.817 -27.415 1.00 0.44 C ATOM 258 1HB HIS A 19 18.338 -34.929 -27.368 1.00 0.44 H ATOM 259 2HB HIS A 19 19.970 -35.510 -27.718 1.00 0.44 H ATOM 260 CG HIS A 19 18.399 -36.730 -28.459 1.00 0.44 C ATOM 261 ND1 HIS A 19 18.581 -38.093 -28.494 1.00 0.44 N ATOM 262 HD1 HIS A 19 19.111 -38.641 -27.822 1.00 0.44 H ATOM 263 CD2 HIS A 19 17.606 -36.458 -29.529 1.00 0.44 C ATOM 264 HD2 HIS A 19 17.255 -35.474 -29.802 1.00 0.44 H ATOM 265 CE1 HIS A 19 17.925 -38.576 -29.550 1.00 0.44 C ATOM 266 HE1 HIS A 19 17.889 -39.622 -29.822 1.00 0.44 H ATOM 267 NE2 HIS A 19 17.314 -37.617 -30.214 1.00 0.44 N ATOM 268 N CYS A 20 21.409 -36.937 -25.757 1.00 10.01 N ATOM 269 H CYS A 20 21.559 -35.930 -25.740 1.00 10.01 H ATOM 270 CA CYS A 20 22.547 -37.830 -25.607 1.00 10.01 C ATOM 271 HA CYS A 20 22.520 -38.562 -26.412 1.00 10.01 H ATOM 272 C CYS A 20 22.501 -38.612 -24.298 1.00 10.01 C ATOM 273 O CYS A 20 22.876 -39.776 -24.277 1.00 10.01 O ATOM 274 CB CYS A 20 23.836 -37.035 -25.752 1.00 10.01 C ATOM 275 1HB CYS A 20 23.807 -36.157 -25.105 1.00 10.01 H ATOM 276 2HB CYS A 20 24.680 -37.659 -25.474 1.00 10.01 H ATOM 277 SG CYS A 20 24.035 -36.531 -27.489 1.00 10.01 S ATOM 278 N LEU A 21 21.976 -38.040 -23.226 1.00 -8.42 N ATOM 279 H LEU A 21 21.693 -37.065 -23.254 1.00 -8.42 H ATOM 280 CA LEU A 21 21.803 -38.796 -21.986 1.00 -8.42 C ATOM 281 HA LEU A 21 22.764 -39.213 -21.700 1.00 -8.42 H ATOM 282 C LEU A 21 20.832 -39.960 -22.193 1.00 -8.42 C ATOM 283 O LEU A 21 21.090 -41.076 -21.751 1.00 -8.42 O ATOM 284 CB LEU A 21 21.311 -37.869 -20.870 1.00 -8.42 C ATOM 285 1HB LEU A 21 21.975 -37.006 -20.831 1.00 -8.42 H ATOM 286 2HB LEU A 21 20.318 -37.514 -21.140 1.00 -8.42 H ATOM 287 CG LEU A 21 21.227 -38.465 -19.456 1.00 -8.42 C ATOM 288 HG LEU A 21 20.583 -39.343 -19.483 1.00 -8.42 H ATOM 289 CD1 LEU A 21 22.596 -38.883 -18.911 1.00 -8.42 C ATOM 290 1HD1 LEU A 21 22.487 -39.257 -17.893 1.00 -8.42 H ATOM 291 2HD1 LEU A 21 23.280 -38.035 -18.915 1.00 -8.42 H ATOM 292 3HD1 LEU A 21 23.009 -39.685 -19.524 1.00 -8.42 H ATOM 293 CD2 LEU A 21 20.595 -37.442 -18.513 1.00 -8.42 C ATOM 294 1HD2 LEU A 21 20.496 -37.875 -17.517 1.00 -8.42 H ATOM 295 2HD2 LEU A 21 19.601 -37.175 -18.874 1.00 -8.42 H ATOM 296 3HD2 LEU A 21 21.213 -36.545 -18.457 1.00 -8.42 H ATOM 297 N LEU A 22 19.762 -39.725 -22.940 1.00 -9.36 N ATOM 298 H LEU A 22 19.589 -38.779 -23.270 1.00 -9.36 H ATOM 299 CA LEU A 22 18.807 -40.777 -23.304 1.00 -9.36 C ATOM 300 HA LEU A 22 18.436 -41.246 -22.392 1.00 -9.36 H ATOM 301 C LEU A 22 19.454 -41.869 -24.162 1.00 -9.36 C ATOM 302 O LEU A 22 19.144 -43.047 -24.036 1.00 -9.36 O ATOM 303 CB LEU A 22 17.631 -40.143 -24.058 1.00 -9.36 C ATOM 304 1HB LEU A 22 17.235 -39.338 -23.441 1.00 -9.36 H ATOM 305 2HB LEU A 22 18.024 -39.697 -24.966 1.00 -9.36 H ATOM 306 CG LEU A 22 16.456 -41.042 -24.475 1.00 -9.36 C ATOM 307 HG LEU A 22 16.837 -41.844 -25.106 1.00 -9.36 H ATOM 308 CD1 LEU A 22 15.738 -41.668 -23.280 1.00 -9.36 C ATOM 309 1HD1 LEU A 22 14.889 -42.256 -23.629 1.00 -9.36 H ATOM 310 2HD1 LEU A 22 15.387 -40.893 -22.599 1.00 -9.36 H ATOM 311 3HD1 LEU A 22 16.420 -42.336 -22.752 1.00 -9.36 H ATOM 312 CD2 LEU A 22 15.465 -40.222 -25.301 1.00 -9.36 C ATOM 313 1HD2 LEU A 22 14.649 -40.863 -25.635 1.00 -9.36 H ATOM 314 2HD2 LEU A 22 15.966 -39.813 -26.179 1.00 -9.36 H ATOM 315 3HD2 LEU A 22 15.059 -39.405 -24.703 1.00 -9.36 H ATOM 316 N LEU A 23 20.411 -41.484 -24.994 1.00-11.04 N ATOM 317 H LEU A 23 20.621 -40.495 -25.063 1.00-11.04 H ATOM 318 CA LEU A 23 21.191 -42.425 -25.807 1.00-11.04 C ATOM 319 HA LEU A 23 20.533 -43.225 -26.144 1.00-11.04 H ATOM 320 C LEU A 23 22.334 -43.090 -25.023 1.00-11.04 C ATOM 321 O LEU A 23 23.210 -43.735 -25.610 1.00-11.04 O ATOM 322 CB LEU A 23 21.753 -41.706 -27.043 1.00-11.04 C ATOM 323 1HB LEU A 23 22.353 -40.870 -26.692 1.00-11.04 H ATOM 324 2HB LEU A 23 22.417 -42.393 -27.562 1.00-11.04 H ATOM 325 CG LEU A 23 20.756 -41.177 -28.086 1.00-11.04 C ATOM 326 HG LEU A 23 20.018 -40.555 -27.591 1.00-11.04 H ATOM 327 CD1 LEU A 23 21.500 -40.313 -29.105 1.00-11.04 C ATOM 328 1HD1 LEU A 23 20.795 -39.908 -29.832 1.00-11.04 H ATOM 329 2HD1 LEU A 23 22.253 -40.903 -29.628 1.00-11.04 H ATOM 330 3HD1 LEU A 23 21.984 -39.477 -28.597 1.00-11.04 H ATOM 331 CD2 LEU A 23 20.012 -42.298 -28.811 1.00-11.04 C ATOM 332 1HD2 LEU A 23 19.347 -41.874 -29.563 1.00-11.04 H ATOM 333 2HD2 LEU A 23 19.408 -42.860 -28.098 1.00-11.04 H ATOM 334 3HD2 LEU A 23 20.720 -42.973 -29.294 1.00-11.04 H ATOM 335 N GLY A 24 22.340 -42.945 -23.704 1.00-19.45 N ATOM 336 H GLY A 24 21.627 -42.378 -23.254 1.00-19.45 H ATOM 337 CA GLY A 24 23.308 -43.632 -22.861 1.00-19.45 C ATOM 338 1HA GLY A 24 22.920 -43.656 -21.842 1.00-19.45 H ATOM 339 2HA GLY A 24 23.420 -44.657 -23.212 1.00-19.45 H ATOM 340 C GLY A 24 24.677 -42.986 -22.832 1.00-19.45 C ATOM 341 O GLY A 24 25.685 -43.612 -22.472 1.00-19.45 O ATOM 342 N LYS A 25 24.745 -41.732 -23.251 1.00 11.05 N ATOM 343 H LYS A 25 23.890 -41.244 -23.519 1.00 11.05 H ATOM 344 CA LYS A 25 26.013 -41.008 -23.310 1.00 11.05 C ATOM 345 HA LYS A 25 26.832 -41.716 -23.327 1.00 11.05 H ATOM 346 C LYS A 25 26.077 -40.178 -22.046 1.00 11.05 C ATOM 347 O LYS A 25 25.054 -39.913 -21.431 1.00 11.05 O ATOM 348 CB LYS A 25 26.103 -40.117 -24.553 1.00 11.05 C ATOM 349 1HB LYS A 25 25.497 -39.232 -24.379 1.00 11.05 H ATOM 350 2HB LYS A 25 27.135 -39.793 -24.665 1.00 11.05 H ATOM 351 CG LYS A 25 25.633 -40.757 -25.869 1.00 11.05 C ATOM 352 1HG LYS A 25 24.560 -40.923 -25.816 1.00 11.05 H ATOM 353 2HG LYS A 25 25.822 -40.054 -26.681 1.00 11.05 H ATOM 354 CD LYS A 25 26.286 -42.092 -26.203 1.00 11.05 C ATOM 355 1HD LYS A 25 27.367 -41.983 -26.224 1.00 11.05 H ATOM 356 2HD LYS A 25 26.018 -42.830 -25.448 1.00 11.05 H ATOM 357 CE LYS A 25 25.794 -42.583 -27.548 1.00 11.05 C ATOM 358 1HE LYS A 25 24.704 -42.625 -27.537 1.00 11.05 H ATOM 359 2HE LYS A 25 26.127 -41.893 -28.326 1.00 11.05 H ATOM 360 NZ LYS A 25 26.343 -43.946 -27.804 1.00 11.05 N ATOM 361 1HZ LYS A 25 26.052 -44.274 -28.711 1.00 11.05 H ATOM 362 2HZ LYS A 25 26.019 -44.582 -27.091 1.00 11.05 H ATOM 363 3HZ LYS A 25 27.364 -43.903 -27.776 1.00 11.05 H ATOM 364 N SER A 26 27.257 -39.723 -21.663 1.00 23.92 N ATOM 365 H SER A 26 28.072 -39.928 -22.212 1.00 23.92 H ATOM 366 CA SER A 26 27.409 -38.893 -20.466 1.00 23.92 C ATOM 367 HA SER A 26 26.701 -39.231 -19.709 1.00 23.92 H ATOM 368 C SER A 26 27.108 -37.427 -20.774 1.00 23.92 C ATOM 369 O SER A 26 27.926 -36.550 -20.521 1.00 23.92 O ATOM 370 CB SER A 26 28.824 -39.043 -19.913 1.00 23.92 C ATOM 371 1HB SER A 26 29.539 -38.677 -20.650 1.00 23.92 H ATOM 372 2HB SER A 26 28.925 -38.463 -18.995 1.00 23.92 H ATOM 373 OG SER A 26 29.083 -40.416 -19.649 1.00 23.92 O ATOM 374 HG SER A 26 28.754 -40.614 -18.764 1.00 23.92 H ATOM 375 N GLY A 27 25.952 -37.178 -21.371 1.00 7.87 N ATOM 376 H GLY A 27 25.309 -37.942 -21.548 1.00 7.87 H ATOM 377 CA GLY A 27 25.604 -35.839 -21.804 1.00 7.87 C ATOM 378 1HA GLY A 27 24.535 -35.787 -22.012 1.00 7.87 H ATOM 379 2HA GLY A 27 25.839 -35.136 -21.005 1.00 7.87 H ATOM 380 C GLY A 27 26.376 -35.432 -23.044 1.00 7.87 C ATOM 381 O GLY A 27 26.935 -36.268 -23.772 1.00 7.87 O ATOM 382 N GLY A 28 26.395 -34.131 -23.288 1.00 17.28 N ATOM 383 H GLY A 28 25.940 -33.479 -22.662 1.00 17.28 H ATOM 384 CA GLY A 28 27.058 -33.566 -24.446 1.00 17.28 C ATOM 385 1HA GLY A 28 28.136 -33.708 -24.375 1.00 17.28 H ATOM 386 2HA GLY A 28 26.685 -34.037 -25.351 1.00 17.28 H ATOM 387 C GLY A 28 26.736 -32.090 -24.483 1.00 17.28 C ATOM 388 O GLY A 28 26.163 -31.580 -23.519 1.00 17.28 O ATOM 389 N ARG A 29 27.068 -31.407 -25.567 1.00 2.87 N ATOM 390 H ARG A 29 27.541 -31.896 -26.335 1.00 2.87 H ATOM 391 CA ARG A 29 26.768 -29.987 -25.738 1.00 2.87 C ATOM 392 HA ARG A 29 25.887 -29.718 -25.158 1.00 2.87 H ATOM 393 C ARG A 29 26.495 -29.792 -27.219 1.00 2.87 C ATOM 394 O ARG A 29 27.253 -30.291 -28.039 1.00 2.87 O ATOM 395 CB ARG A 29 27.984 -29.151 -25.291 1.00 2.87 C ATOM 396 1HB ARG A 29 28.220 -29.417 -24.261 1.00 2.87 H ATOM 397 2HB ARG A 29 28.838 -29.414 -25.917 1.00 2.87 H ATOM 398 CG ARG A 29 27.780 -27.643 -25.367 1.00 2.87 C ATOM 399 1HG ARG A 29 27.648 -27.366 -26.405 1.00 2.87 H ATOM 400 2HG ARG A 29 26.880 -27.390 -24.813 1.00 2.87 H ATOM 401 CD ARG A 29 28.927 -26.818 -24.803 1.00 2.87 C ATOM 402 1HD ARG A 29 29.108 -27.124 -23.772 1.00 2.87 H ATOM 403 2HD ARG A 29 29.830 -26.996 -25.388 1.00 2.87 H ATOM 404 NE ARG A 29 28.571 -25.387 -24.828 1.00 2.87 N ATOM 405 HE ARG A 29 27.950 -25.071 -24.105 1.00 2.87 H ATOM 406 CZ ARG A 29 28.968 -24.482 -25.717 1.00 2.87 C ATOM 407 NH1 ARG A 29 28.405 -23.308 -25.714 1.00 2.87 N ATOM 408 1HH1 ARG A 29 27.705 -23.068 -25.044 1.00 2.87 H ATOM 409 2HH1 ARG A 29 28.667 -22.628 -26.439 1.00 2.87 H ATOM 410 NH2 ARG A 29 29.906 -24.676 -26.599 1.00 2.87 N ATOM 411 1HH2 ARG A 29 30.345 -25.580 -26.708 1.00 2.87 H ATOM 412 2HH2 ARG A 29 30.207 -23.885 -27.177 1.00 2.87 H ATOM 413 N CYS A 30 25.455 -29.062 -27.590 1.00 24.24 N ATOM 414 H CYS A 30 24.762 -28.771 -26.924 1.00 24.24 H ATOM 415 CA CYS A 30 25.424 -28.530 -28.946 1.00 24.24 C ATOM 416 HA CYS A 30 25.820 -29.263 -29.633 1.00 24.24 H ATOM 417 C CYS A 30 26.382 -27.363 -28.882 1.00 24.24 C ATOM 418 O CYS A 30 26.168 -26.427 -28.110 1.00 24.24 O ATOM 419 CB CYS A 30 24.058 -28.076 -29.440 1.00 24.24 C ATOM 420 1HB CYS A 30 23.334 -28.879 -29.317 1.00 24.24 H ATOM 421 2HB CYS A 30 23.746 -27.197 -28.881 1.00 24.24 H ATOM 422 SG CYS A 30 24.197 -27.670 -31.209 1.00 24.24 S ATOM 423 N ASN A 31 27.484 -27.487 -29.598 1.00 10.08 N ATOM 424 H ASN A 31 27.583 -28.273 -30.237 1.00 10.08 H ATOM 425 CA ASN A 31 28.552 -26.512 -29.511 1.00 10.08 C ATOM 426 HA ASN A 31 28.697 -26.241 -28.467 1.00 10.08 H ATOM 427 C ASN A 31 28.112 -25.272 -30.275 1.00 10.08 C ATOM 428 O ASN A 31 27.074 -25.275 -30.931 1.00 10.08 O ATOM 429 CB ASN A 31 29.854 -27.099 -30.060 1.00 10.08 C ATOM 430 1HB ASN A 31 29.761 -28.182 -30.114 1.00 10.08 H ATOM 431 2HB ASN A 31 30.027 -26.718 -31.065 1.00 10.08 H ATOM 432 CG ASN A 31 31.035 -26.772 -29.183 1.00 10.08 C ATOM 433 OD1 ASN A 31 30.994 -26.986 -27.976 1.00 10.08 O ATOM 434 ND2 ASN A 31 32.064 -26.215 -29.746 1.00 10.08 N ATOM 435 1HD2 ASN A 31 32.861 -25.978 -29.190 1.00 10.08 H ATOM 436 2HD2 ASN A 31 32.056 -26.010 -30.752 1.00 10.08 H ATOM 437 N ASP A 32 28.898 -24.212 -30.206 1.00 -2.93 N ATOM 438 H ASP A 32 29.774 -24.253 -29.702 1.00 -2.93 H ATOM 439 CA ASP A 32 28.516 -22.928 -30.796 1.00 -2.93 C ATOM 440 HA ASP A 32 27.496 -22.692 -30.494 1.00 -2.93 H ATOM 441 C ASP A 32 28.568 -22.996 -32.324 1.00 -2.93 C ATOM 442 O ASP A 32 27.899 -22.251 -33.032 1.00 -2.93 O ATOM 443 CB ASP A 32 29.444 -21.861 -30.225 1.00 -2.93 C ATOM 444 1HB ASP A 32 30.458 -22.076 -30.562 1.00 -2.93 H ATOM 445 2HB ASP A 32 29.150 -20.878 -30.592 1.00 -2.93 H ATOM 446 CG ASP A 32 29.440 -21.876 -28.708 1.00 -2.93 C ATOM 447 OD1 ASP A 32 28.416 -21.555 -28.067 1.00 -2.93 O ATOM 448 OD2 ASP A 32 30.433 -22.373 -28.134 1.00 -2.93 O ATOM 449 N ASP A 33 29.270 -24.015 -32.805 1.00 -0.29 N ATOM 450 H ASP A 33 29.843 -24.543 -32.159 1.00 -0.29 H ATOM 451 CA ASP A 33 29.310 -24.440 -34.209 1.00 -0.29 C ATOM 452 HA ASP A 33 29.587 -23.589 -34.833 1.00 -0.29 H ATOM 453 C ASP A 33 27.993 -25.042 -34.712 1.00 -0.29 C ATOM 454 O ASP A 33 27.898 -25.516 -35.844 1.00 -0.29 O ATOM 455 CB ASP A 33 30.361 -25.548 -34.349 1.00 -0.29 C ATOM 456 1HB ASP A 33 29.975 -26.444 -33.861 1.00 -0.29 H ATOM 457 2HB ASP A 33 30.523 -25.770 -35.404 1.00 -0.29 H ATOM 458 CG ASP A 33 31.676 -25.197 -33.691 1.00 -0.29 C ATOM 459 OD1 ASP A 33 32.593 -24.678 -34.352 1.00 -0.29 O ATOM 460 OD2 ASP A 33 31.786 -25.468 -32.469 1.00 -0.29 O ATOM 461 N ALA A 34 27.010 -25.092 -33.821 1.00 27.98 N ATOM 462 H ALA A 34 27.186 -24.662 -32.919 1.00 27.98 H ATOM 463 CA ALA A 34 25.698 -25.716 -34.001 1.00 27.98 C ATOM 464 HA ALA A 34 25.167 -25.559 -33.063 1.00 27.98 H ATOM 465 C ALA A 34 25.723 -27.240 -34.204 1.00 27.98 C ATOM 466 O ALA A 34 24.713 -27.846 -34.571 1.00 27.98 O ATOM 467 CB ALA A 34 24.893 -24.991 -35.094 1.00 27.98 C ATOM 468 1HB ALA A 34 24.880 -23.920 -34.887 1.00 27.98 H ATOM 469 2HB ALA A 34 23.876 -25.371 -35.108 1.00 27.98 H ATOM 470 3HB ALA A 34 25.356 -25.166 -36.067 1.00 27.98 H ATOM 471 N VAL A 35 26.856 -27.864 -33.926 1.00-17.57 N ATOM 472 H VAL A 35 27.654 -27.316 -33.647 1.00-17.57 H ATOM 473 CA VAL A 35 26.992 -29.320 -33.997 1.00-17.57 C ATOM 474 HA VAL A 35 26.270 -29.713 -34.710 1.00-17.57 H ATOM 475 C VAL A 35 26.719 -29.909 -32.612 1.00-17.57 C ATOM 476 O VAL A 35 27.321 -29.481 -31.629 1.00-17.57 O ATOM 477 CB VAL A 35 28.427 -29.717 -34.465 1.00-17.57 C ATOM 478 HB VAL A 35 29.146 -29.357 -33.730 1.00-17.57 H ATOM 479 CG1 VAL A 35 28.577 -31.242 -34.602 1.00-17.57 C ATOM 480 1HG1 VAL A 35 29.588 -31.480 -34.936 1.00-17.57 H ATOM 481 2HG1 VAL A 35 27.862 -31.632 -35.326 1.00-17.57 H ATOM 482 3HG1 VAL A 35 28.417 -31.726 -33.639 1.00-17.57 H ATOM 483 CG2 VAL A 35 28.756 -29.062 -35.818 1.00-17.57 C ATOM 484 1HG2 VAL A 35 29.743 -29.379 -36.154 1.00-17.57 H ATOM 485 2HG2 VAL A 35 28.770 -27.977 -35.721 1.00-17.57 H ATOM 486 3HG2 VAL A 35 28.014 -29.340 -36.567 1.00-17.57 H ATOM 487 N CYS A 36 25.832 -30.891 -32.513 1.00 1.75 N ATOM 488 H CYS A 36 25.328 -31.190 -33.330 1.00 1.75 H ATOM 489 CA CYS A 36 25.633 -31.623 -31.258 1.00 1.75 C ATOM 490 HA CYS A 36 25.632 -30.933 -30.427 1.00 1.75 H ATOM 491 C CYS A 36 26.824 -32.572 -31.095 1.00 1.75 C ATOM 492 O CYS A 36 27.068 -33.410 -31.962 1.00 1.75 O ATOM 493 CB CYS A 36 24.286 -32.361 -31.287 1.00 1.75 C ATOM 494 1HB CYS A 36 23.505 -31.624 -31.473 1.00 1.75 H ATOM 495 2HB CYS A 36 24.301 -33.051 -32.131 1.00 1.75 H ATOM 496 SG CYS A 36 23.805 -33.326 -29.807 1.00 1.75 S ATOM 497 N VAL A 37 27.590 -32.404 -30.024 1.00-19.14 N ATOM 498 H VAL A 37 27.363 -31.680 -29.346 1.00-19.14 H ATOM 499 CA VAL A 37 28.796 -33.193 -29.766 1.00-19.14 C ATOM 500 HA VAL A 37 28.906 -33.959 -30.533 1.00-19.14 H ATOM 501 C VAL A 37 28.603 -33.853 -28.407 1.00-19.14 C ATOM 502 O VAL A 37 28.316 -33.175 -27.422 1.00-19.14 O ATOM 503 CB VAL A 37 30.070 -32.292 -29.749 1.00-19.14 C ATOM 504 HB VAL A 37 29.961 -31.547 -28.963 1.00-19.14 H ATOM 505 CG1 VAL A 37 31.336 -33.118 -29.469 1.00-19.14 C ATOM 506 1HG1 VAL A 37 32.210 -32.466 -29.481 1.00-19.14 H ATOM 507 2HG1 VAL A 37 31.459 -33.894 -30.225 1.00-19.14 H ATOM 508 3HG1 VAL A 37 31.271 -33.580 -28.483 1.00-19.14 H ATOM 509 CG2 VAL A 37 30.237 -31.554 -31.087 1.00-19.14 C ATOM 510 1HG2 VAL A 37 31.158 -30.970 -31.078 1.00-19.14 H ATOM 511 2HG2 VAL A 37 29.405 -30.870 -31.237 1.00-19.14 H ATOM 512 3HG2 VAL A 37 30.270 -32.267 -31.911 1.00-19.14 H ATOM 513 N CYS A 38 28.707 -35.173 -28.354 1.00 2.39 N ATOM 514 H CYS A 38 28.983 -35.689 -29.176 1.00 2.39 H ATOM 515 CA CYS A 38 28.425 -35.939 -27.142 1.00 2.39 C ATOM 516 HA CYS A 38 28.399 -35.281 -26.277 1.00 2.39 H ATOM 517 C CYS A 38 29.498 -36.992 -26.918 1.00 2.39 C ATOM 518 O CYS A 38 30.292 -37.268 -27.819 1.00 2.39 O ATOM 519 CB CYS A 38 27.063 -36.619 -27.284 1.00 2.39 C ATOM 520 1HB CYS A 38 27.079 -37.274 -28.155 1.00 2.39 H ATOM 521 2HB CYS A 38 26.873 -37.222 -26.397 1.00 2.39 H ATOM 522 SG CYS A 38 25.716 -35.408 -27.467 1.00 2.39 S ATOM 523 N ARG A 39 29.504 -37.604 -25.740 1.00 0.75 N ATOM 524 H ARG A 39 28.833 -37.323 -25.033 1.00 0.75 H ATOM 525 CA ARG A 39 30.409 -38.729 -25.475 1.00 0.75 C ATOM 526 HA ARG A 39 31.437 -38.418 -25.661 1.00 0.75 H ATOM 527 C ARG A 39 30.019 -39.844 -26.448 1.00 0.75 C ATOM 528 O ARG A 39 28.834 -40.033 -26.696 1.00 0.75 O ATOM 529 CB ARG A 39 30.249 -39.217 -24.030 1.00 0.75 C ATOM 530 1HB ARG A 39 30.210 -38.353 -23.366 1.00 0.75 H ATOM 531 2HB ARG A 39 29.297 -39.738 -23.958 1.00 0.75 H ATOM 532 CG ARG A 39 31.370 -40.146 -23.535 1.00 0.75 C ATOM 533 1HG ARG A 39 31.797 -40.690 -24.376 1.00 0.75 H ATOM 534 2HG ARG A 39 32.152 -39.541 -23.077 1.00 0.75 H ATOM 535 CD ARG A 39 30.853 -41.162 -22.525 1.00 0.75 C ATOM 536 1HD ARG A 39 31.698 -41.631 -22.021 1.00 0.75 H ATOM 537 2HD ARG A 39 30.235 -40.654 -21.792 1.00 0.75 H ATOM 538 NE ARG A 39 30.078 -42.197 -23.221 1.00 0.75 N ATOM 539 HE ARG A 39 30.317 -42.373 -24.202 1.00 0.75 H ATOM 540 CZ ARG A 39 29.091 -42.937 -22.744 1.00 0.75 C ATOM 541 NH1 ARG A 39 28.529 -43.771 -23.567 1.00 0.75 N ATOM 542 1HH1 ARG A 39 28.918 -43.866 -24.505 1.00 0.75 H ATOM 543 2HH1 ARG A 39 27.712 -44.292 -23.282 1.00 0.75 H ATOM 544 NH2 ARG A 39 28.612 -42.845 -21.530 1.00 0.75 N ATOM 545 1HH2 ARG A 39 29.039 -42.219 -20.863 1.00 0.75 H ATOM 546 2HH2 ARG A 39 27.806 -43.399 -21.274 1.00 0.75 H ATOM 547 N LYS A 40 30.993 -40.577 -26.972 1.00-12.23 N ATOM 548 H LYS A 40 31.944 -40.359 -26.740 1.00-12.23 H ATOM 549 CA LYS A 40 30.730 -41.724 -27.849 1.00-12.23 C ATOM 550 HA LYS A 40 30.113 -41.401 -28.687 1.00-12.23 H ATOM 551 C LYS A 40 29.964 -42.805 -27.092 1.00-12.23 C ATOM 552 O LYS A 40 29.106 -43.481 -27.692 1.00-12.23 O ATOM 553 OXT LYS A 40 30.230 -42.957 -25.884 1.00-12.23 O ATOM 554 CB LYS A 40 32.058 -42.282 -28.372 1.00-12.23 C ATOM 555 1HB LYS A 40 32.636 -41.461 -28.796 1.00-12.23 H ATOM 556 2HB LYS A 40 32.611 -42.700 -27.530 1.00-12.23 H ATOM 557 CG LYS A 40 31.899 -43.362 -29.435 1.00-12.23 C ATOM 558 1HG LYS A 40 31.303 -44.179 -29.031 1.00-12.23 H ATOM 559 2HG LYS A 40 31.386 -42.941 -30.300 1.00-12.23 H ATOM 560 CD LYS A 40 33.244 -43.917 -29.871 1.00-12.23 C ATOM 561 1HD LYS A 40 33.860 -43.106 -30.261 1.00-12.23 H ATOM 562 2HD LYS A 40 33.740 -44.363 -29.008 1.00-12.23 H ATOM 563 CE LYS A 40 33.050 -44.979 -30.947 1.00-12.23 C ATOM 564 1HE LYS A 40 32.387 -45.756 -30.557 1.00-12.23 H ATOM 565 2HE LYS A 40 32.569 -44.519 -31.814 1.00-12.23 H ATOM 566 NZ LYS A 40 34.352 -45.602 -31.367 1.00-12.23 N ATOM 567 1HZ LYS A 40 34.184 -46.302 -32.077 1.00-12.23 H ATOM 568 2HZ LYS A 40 34.795 -46.039 -30.569 1.00-12.23 H ATOM 569 3HZ LYS A 40 34.967 -44.891 -31.740 1.00-12.23 H TER 570 LYS A 40 CONECT 36 33 422 CONECT 230 227 496 CONECT 277 274 522 CONECT 422 36 419 CONECT 496 230 493 CONECT 522 277 519 END
SEQUENCE	ATCDLLSMWNVNHSACAAHCLLLGKSGGRCNDDAVCVCRK
HELICITY	52.50	INSTAB. INDEX	30.41	FLEXIBILITY	15.82
a HYD. MOM.	49.63	b HYD. MOM.	18.14	c HYD. MOM	5.83
a MEAN HYD. MOM.	1.24	b MEAN HYD. MOM.	0.45	c MEAN HYD. MOM.	0.15
CHARGE pH5	3.02	CHARGE pH7	0.91	CHARGE pH9	-4.17
Δ CHARGE pH5-pH9	7.19	ISOELECTRIC POINT	7.83	BOMAN INDEX	1.20
ΔG	24	CPP	-0,42	MLP	-9,17
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	Arthropoda	CLASS	Insecta	ORDER	Diptera
FAMILY	Muscidae	GENUS	Stomoxys	SPECIES	Stomoxys calcitrans
DATE	1997
TITLE PAPER	Midgut-specific immune molecules are produced by the blood-sucking insect Stomoxys calcitrans.