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ID	2404	NAME	Antifungal peptide 1   Blast NCBI-PROT
LENGTH	41	DISULFIDE BRIDGE	5		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\QTCASRCPRPCNAGLCCSIYGYCGSGNAYCGAGNCRCQCRG.pdb REMARK YASARA Written on: Wed May 14 19:25:08 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 540 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA REMARK 2 RESOLUTION. 0.84 ANGSTROMS. REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 11.58900 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 COMPND MOL_ID: 1; COMPND 2 MOLECULE: EAFP 2; COMPND 3 CHAIN: A; SEQRES 1 A 41 GLN THR CYS ALA SER ARG CYS PRO ARG PRO CYS ASN ALA SEQRES 2 A 41 GLY LEU CYS CYS SER ILE TYR GLY TYR CYS GLY SER GLY SEQRES 3 A 41 ASN ALA TYR CYS GLY ALA GLY ASN CYS ARG CYS GLN CYS SEQRES 4 A 41 ARG GLY CRYST1 19.011 23.178 30.720 90.00 98.56 90.00 P 1 21 1 2 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.052601 0.000000 0.007918 0.00000 SCALE2 0.000000 0.043144 0.000000 0.00000 SCALE3 0.000000 0.000000 0.032919 0.00000 SSBOND 1 CYS A 3 CYS A 17 2.03 SSBOND 3 CYS A 7 CYS A 37 2.03 SSBOND 5 CYS A 11 CYS A 23 2.03 SSBOND 7 CYS A 16 CYS A 30 2.03 SSBOND 9 CYS A 35 CYS A 39 2.03 ATOM 1 N GLN A 1 -41.036 -7.661 10.335 1.00 -2.60 N ATOM 2 1H GLN A 1 -40.859 -7.241 9.435 1.00 -2.60 H ATOM 3 2H GLN A 1 -41.024 -6.937 11.042 1.00 -2.60 H ATOM 4 3H GLN A 1 -41.943 -8.106 10.329 1.00 -2.60 H ATOM 5 CA GLN A 1 -39.981 -8.676 10.638 1.00 -2.60 C ATOM 6 HA GLN A 1 -39.946 -9.379 9.807 1.00 -2.60 H ATOM 7 C GLN A 1 -40.351 -9.472 11.893 1.00 -2.60 C ATOM 8 O GLN A 1 -41.515 -9.816 12.064 1.00 -2.60 O ATOM 9 CB GLN A 1 -38.596 -8.022 10.765 1.00 -2.60 C ATOM 10 1HB GLN A 1 -38.600 -7.336 11.612 1.00 -2.60 H ATOM 11 2HB GLN A 1 -37.865 -8.809 10.957 1.00 -2.60 H ATOM 12 CG GLN A 1 -38.132 -7.263 9.521 1.00 -2.60 C ATOM 13 1HG GLN A 1 -38.204 -7.920 8.654 1.00 -2.60 H ATOM 14 2HG GLN A 1 -38.772 -6.395 9.362 1.00 -2.60 H ATOM 15 CD GLN A 1 -36.697 -6.791 9.645 1.00 -2.60 C ATOM 16 OE1 GLN A 1 -36.034 -7.039 10.637 1.00 -2.60 O ATOM 17 NE2 GLN A 1 -36.210 -6.111 8.647 1.00 -2.60 N ATOM 18 1HE2 GLN A 1 -35.257 -5.790 8.713 1.00 -2.60 H ATOM 19 2HE2 GLN A 1 -36.770 -5.900 7.841 1.00 -2.60 H ATOM 20 N THR A 2 -39.393 -9.793 12.751 1.00 31.67 N ATOM 21 H THR A 2 -38.527 -9.261 12.791 1.00 31.67 H ATOM 22 CA THR A 2 -39.405 -10.998 13.580 1.00 31.67 C ATOM 23 HA THR A 2 -39.332 -11.840 12.891 1.00 31.67 H ATOM 24 C THR A 2 -40.559 -11.322 14.532 1.00 31.67 C ATOM 25 O THR A 2 -40.998 -12.470 14.566 1.00 31.67 O ATOM 26 CB THR A 2 -38.105 -10.952 14.398 1.00 31.67 C ATOM 27 HB THR A 2 -38.260 -10.360 15.300 1.00 31.67 H ATOM 28 OG1 THR A 2 -37.120 -10.307 13.586 1.00 31.67 O ATOM 29 HG1 THR A 2 -36.270 -10.361 14.038 1.00 31.67 H ATOM 30 CG2 THR A 2 -37.588 -12.332 14.759 1.00 31.67 C ATOM 31 1HG2 THR A 2 -36.674 -12.234 15.347 1.00 31.67 H ATOM 32 2HG2 THR A 2 -37.366 -12.896 13.851 1.00 31.67 H ATOM 33 3HG2 THR A 2 -38.330 -12.872 15.348 1.00 31.67 H ATOM 34 N CYS A 3 -41.086 -10.376 15.299 1.00 0.42 N ATOM 35 H CYS A 3 -40.740 -9.416 15.240 1.00 0.42 H ATOM 36 CA CYS A 3 -42.138 -10.713 16.266 1.00 0.42 C ATOM 37 HA CYS A 3 -41.804 -11.595 16.813 1.00 0.42 H ATOM 38 C CYS A 3 -43.462 -11.104 15.608 1.00 0.42 C ATOM 39 O CYS A 3 -44.298 -11.734 16.244 1.00 0.42 O ATOM 40 CB CYS A 3 -42.350 -9.599 17.302 1.00 0.42 C ATOM 41 1HB CYS A 3 -43.056 -9.955 18.054 1.00 0.42 H ATOM 42 2HB CYS A 3 -41.398 -9.425 17.802 1.00 0.42 H ATOM 43 SG CYS A 3 -42.943 -7.993 16.683 1.00 0.42 S ATOM 44 N ALA A 4 -43.629 -10.824 14.322 1.00 7.78 N ATOM 45 H ALA A 4 -42.899 -10.346 13.811 1.00 7.78 H ATOM 46 CA ALA A 4 -44.847 -11.211 13.614 1.00 7.78 C ATOM 47 HA ALA A 4 -45.699 -10.777 14.136 1.00 7.78 H ATOM 48 C ALA A 4 -45.039 -12.736 13.593 1.00 7.78 C ATOM 49 O ALA A 4 -46.158 -13.226 13.482 1.00 7.78 O ATOM 50 CB ALA A 4 -44.811 -10.651 12.188 1.00 7.78 C ATOM 51 1HB ALA A 4 -44.713 -9.565 12.221 1.00 7.78 H ATOM 52 2HB ALA A 4 -45.736 -10.915 11.676 1.00 7.78 H ATOM 53 3HB ALA A 4 -43.969 -11.079 11.642 1.00 7.78 H ATOM 54 N SER A 5 -43.945 -13.473 13.747 1.00-23.26 N ATOM 55 H SER A 5 -43.061 -13.011 13.896 1.00-23.26 H ATOM 56 CA SER A 5 -43.958 -14.938 13.726 1.00-23.26 C ATOM 57 HA SER A 5 -44.381 -15.274 12.778 1.00-23.26 H ATOM 58 C SER A 5 -44.761 -15.615 14.835 1.00-23.26 C ATOM 59 O SER A 5 -45.114 -16.778 14.702 1.00-23.26 O ATOM 60 CB SER A 5 -42.519 -15.449 13.823 1.00-23.26 C ATOM 61 1HB SER A 5 -42.523 -16.540 13.814 1.00-23.26 H ATOM 62 2HB SER A 5 -41.952 -15.089 12.964 1.00-23.26 H ATOM 63 OG SER A 5 -41.898 -14.984 15.014 1.00-23.26 O ATOM 64 HG SER A 5 -41.500 -14.114 14.831 1.00-23.26 H ATOM 65 N ARG A 6 -45.042 -14.915 15.929 1.00 2.16 N ATOM 66 H ARG A 6 -44.741 -13.948 15.991 1.00 2.16 H ATOM 67 CA ARG A 6 -45.773 -15.511 17.059 1.00 2.16 C ATOM 68 HA ARG A 6 -46.127 -16.503 16.771 1.00 2.16 H ATOM 69 C ARG A 6 -47.003 -14.684 17.407 1.00 2.16 C ATOM 70 O ARG A 6 -47.459 -14.647 18.554 1.00 2.16 O ATOM 71 CB ARG A 6 -44.857 -15.675 18.277 1.00 2.16 C ATOM 72 1HB ARG A 6 -44.544 -14.693 18.585 1.00 2.16 H ATOM 73 2HB ARG A 6 -45.425 -16.131 19.089 1.00 2.16 H ATOM 74 CG ARG A 6 -43.604 -16.503 18.041 1.00 2.16 C ATOM 75 1HG ARG A 6 -43.887 -17.523 17.779 1.00 2.16 H ATOM 76 2HG ARG A 6 -43.036 -16.074 17.219 1.00 2.16 H ATOM 77 CD ARG A 6 -42.717 -16.524 19.288 1.00 2.16 C ATOM 78 1HD ARG A 6 -43.269 -17.007 20.095 1.00 2.16 H ATOM 79 2HD ARG A 6 -41.827 -17.120 19.079 1.00 2.16 H ATOM 80 NE ARG A 6 -42.315 -15.176 19.736 1.00 2.16 N ATOM 81 HE ARG A 6 -42.827 -14.791 20.519 1.00 2.16 H ATOM 82 CZ ARG A 6 -41.343 -14.426 19.233 1.00 2.16 C ATOM 83 NH1 ARG A 6 -41.096 -13.280 19.801 1.00 2.16 N ATOM 84 1HH1 ARG A 6 -41.676 -12.975 20.585 1.00 2.16 H ATOM 85 2HH1 ARG A 6 -40.341 -12.702 19.483 1.00 2.16 H ATOM 86 NH2 ARG A 6 -40.625 -14.758 18.190 1.00 2.16 N ATOM 87 1HH2 ARG A 6 -40.845 -15.604 17.687 1.00 2.16 H ATOM 88 2HH2 ARG A 6 -39.871 -14.172 17.879 1.00 2.16 H ATOM 89 N CYS A 7 -47.542 -13.990 16.417 1.00 8.87 N ATOM 90 H CYS A 7 -47.116 -13.997 15.500 1.00 8.87 H ATOM 91 CA CYS A 7 -48.831 -13.333 16.605 1.00 8.87 C ATOM 92 HA CYS A 7 -48.776 -12.672 17.463 1.00 8.87 H ATOM 93 C CYS A 7 -49.859 -14.436 16.886 1.00 8.87 C ATOM 94 O CYS A 7 -49.699 -15.558 16.415 1.00 8.87 O ATOM 95 CB CYS A 7 -49.231 -12.525 15.370 1.00 8.87 C ATOM 96 1HB CYS A 7 -49.129 -13.158 14.487 1.00 8.87 H ATOM 97 2HB CYS A 7 -50.280 -12.249 15.467 1.00 8.87 H ATOM 98 SG CYS A 7 -48.274 -10.994 15.129 1.00 8.87 S ATOM 99 N PRO A 8 -50.931 -14.139 17.643 1.00 9.72 N ATOM 100 CA PRO A 8 -51.380 -12.874 18.242 1.00 9.72 C ATOM 101 HA PRO A 8 -51.362 -12.087 17.492 1.00 9.72 H ATOM 102 C PRO A 8 -50.653 -12.361 19.485 1.00 9.72 C ATOM 103 O PRO A 8 -50.912 -11.225 19.884 1.00 9.72 O ATOM 104 CB PRO A 8 -52.837 -13.183 18.592 1.00 9.72 C ATOM 105 1HB PRO A 8 -53.182 -12.570 19.425 1.00 9.72 H ATOM 106 2HB PRO A 8 -53.476 -13.037 17.722 1.00 9.72 H ATOM 107 CG PRO A 8 -52.809 -14.614 18.960 1.00 9.72 C ATOM 108 1HG PRO A 8 -52.398 -14.736 19.963 1.00 9.72 H ATOM 109 2HG PRO A 8 -53.806 -15.052 18.899 1.00 9.72 H ATOM 110 CD PRO A 8 -51.890 -15.223 17.930 1.00 9.72 C ATOM 111 1HD PRO A 8 -51.385 -16.100 18.338 1.00 9.72 H ATOM 112 2HD PRO A 8 -52.446 -15.484 17.027 1.00 9.72 H ATOM 113 N ARG A 9 -49.780 -13.151 20.105 1.00 9.62 N ATOM 114 H ARG A 9 -49.536 -14.055 19.710 1.00 9.62 H ATOM 115 CA ARG A 9 -49.166 -12.764 21.385 1.00 9.62 C ATOM 116 HA ARG A 9 -49.294 -11.690 21.506 1.00 9.62 H ATOM 117 C ARG A 9 -47.649 -13.045 21.520 1.00 9.62 C ATOM 118 O ARG A 9 -47.236 -13.915 22.292 1.00 9.62 O ATOM 119 CB ARG A 9 -49.981 -13.447 22.494 1.00 9.62 C ATOM 120 1HB ARG A 9 -51.029 -13.445 22.196 1.00 9.62 H ATOM 121 2HB ARG A 9 -49.668 -14.487 22.589 1.00 9.62 H ATOM 122 CG ARG A 9 -49.890 -12.747 23.836 1.00 9.62 C ATOM 123 1HG ARG A 9 -49.146 -11.960 23.758 1.00 9.62 H ATOM 124 2HG ARG A 9 -50.849 -12.288 24.077 1.00 9.62 H ATOM 125 CD ARG A 9 -49.475 -13.686 24.956 1.00 9.62 C ATOM 126 1HD ARG A 9 -50.359 -14.155 25.390 1.00 9.62 H ATOM 127 2HD ARG A 9 -48.817 -14.460 24.559 1.00 9.62 H ATOM 128 NE ARG A 9 -48.753 -12.911 25.974 1.00 9.62 N ATOM 129 HE ARG A 9 -49.288 -12.588 26.761 1.00 9.62 H ATOM 130 CZ ARG A 9 -47.473 -12.571 25.917 1.00 9.62 C ATOM 131 NH1 ARG A 9 -46.994 -11.749 26.804 1.00 9.62 N ATOM 132 1HH1 ARG A 9 -47.570 -11.391 27.545 1.00 9.62 H ATOM 133 2HH1 ARG A 9 -46.033 -11.441 26.698 1.00 9.62 H ATOM 134 NH2 ARG A 9 -46.650 -12.982 24.992 1.00 9.62 N ATOM 135 1HH2 ARG A 9 -46.964 -13.608 24.257 1.00 9.62 H ATOM 136 2HH2 ARG A 9 -45.702 -12.619 24.977 1.00 9.62 H ATOM 137 N PRO A 10 -46.801 -12.360 20.731 1.00 5.95 N ATOM 138 CA PRO A 10 -45.368 -12.680 20.663 1.00 5.95 C ATOM 139 HA PRO A 10 -45.245 -13.762 20.636 1.00 5.95 H ATOM 140 C PRO A 10 -44.358 -12.099 21.660 1.00 5.95 C ATOM 141 O PRO A 10 -43.200 -12.530 21.647 1.00 5.95 O ATOM 142 CB PRO A 10 -45.001 -12.098 19.301 1.00 5.95 C ATOM 143 1HB PRO A 10 -43.940 -11.857 19.240 1.00 5.95 H ATOM 144 2HB PRO A 10 -45.283 -12.773 18.503 1.00 5.95 H ATOM 145 CG PRO A 10 -45.800 -10.926 19.205 1.00 5.95 C ATOM 146 1HG PRO A 10 -45.365 -10.134 19.805 1.00 5.95 H ATOM 147 2HG PRO A 10 -45.889 -10.611 18.168 1.00 5.95 H ATOM 148 CD PRO A 10 -47.127 -11.307 19.752 1.00 5.95 C ATOM 149 1HD PRO A 10 -47.594 -10.452 20.231 1.00 5.95 H ATOM 150 2HD PRO A 10 -47.758 -11.708 18.963 1.00 5.95 H ATOM 151 N CYS A 11 -44.712 -11.072 22.420 1.00 2.78 N ATOM 152 H CYS A 11 -45.698 -10.816 22.501 1.00 2.78 H ATOM 153 CA CYS A 11 -43.737 -10.216 23.106 1.00 2.78 C ATOM 154 HA CYS A 11 -42.730 -10.459 22.772 1.00 2.78 H ATOM 155 C CYS A 11 -43.769 -10.366 24.626 1.00 2.78 C ATOM 156 O CYS A 11 -44.603 -11.079 25.181 1.00 2.78 O ATOM 157 CB CYS A 11 -44.014 -8.751 22.738 1.00 2.78 C ATOM 158 1HB CYS A 11 -45.058 -8.525 22.965 1.00 2.78 H ATOM 159 2HB CYS A 11 -43.396 -8.106 23.355 1.00 2.78 H ATOM 160 SG CYS A 11 -43.675 -8.331 20.998 1.00 2.78 S ATOM 161 N ASN A 12 -42.874 -9.672 25.314 1.00 -8.46 N ATOM 162 H ASN A 12 -42.197 -9.114 24.828 1.00 -8.46 H ATOM 163 CA ASN A 12 -42.897 -9.644 26.777 1.00 -8.46 C ATOM 164 HA ASN A 12 -42.866 -10.662 27.167 1.00 -8.46 H ATOM 165 C ASN A 12 -44.195 -8.971 27.209 1.00 -8.46 C ATOM 166 O ASN A 12 -44.777 -8.199 26.448 1.00 -8.46 O ATOM 167 CB ASN A 12 -41.722 -8.837 27.345 1.00 -8.46 C ATOM 168 1HB ASN A 12 -41.735 -7.841 26.916 1.00 -8.46 H ATOM 169 2HB ASN A 12 -41.845 -8.743 28.424 1.00 -8.46 H ATOM 170 CG ASN A 12 -40.386 -9.477 27.077 1.00 -8.46 C ATOM 171 OD1 ASN A 12 -40.294 -10.655 26.789 1.00 -8.46 O ATOM 172 ND2 ASN A 12 -39.341 -8.702 27.149 1.00 -8.46 N ATOM 173 1HD2 ASN A 12 -38.437 -9.106 26.969 1.00 -8.46 H ATOM 174 2HD2 ASN A 12 -39.443 -7.732 27.390 1.00 -8.46 H ATOM 175 N ALA A 13 -44.641 -9.238 28.427 1.00 -9.42 N ATOM 176 H ALA A 13 -44.145 -9.878 29.021 1.00 -9.42 H ATOM 177 CA ALA A 13 -45.800 -8.532 28.959 1.00 -9.42 C ATOM 178 HA ALA A 13 -46.647 -8.660 28.283 1.00 -9.42 H ATOM 179 C ALA A 13 -45.420 -7.047 29.011 1.00 -9.42 C ATOM 180 O ALA A 13 -44.284 -6.704 29.341 1.00 -9.42 O ATOM 181 CB ALA A 13 -46.159 -9.064 30.350 1.00 -9.42 C ATOM 182 1HB ALA A 13 -46.385 -10.128 30.297 1.00 -9.42 H ATOM 183 2HB ALA A 13 -47.033 -8.530 30.726 1.00 -9.42 H ATOM 184 3HB ALA A 13 -45.325 -8.899 31.036 1.00 -9.42 H ATOM 185 N GLY A 14 -46.358 -6.187 28.649 1.00 -8.80 N ATOM 186 H GLY A 14 -47.281 -6.537 28.376 1.00 -8.80 H ATOM 187 CA GLY A 14 -46.107 -4.757 28.594 1.00 -8.80 C ATOM 188 1HA GLY A 14 -47.045 -4.233 28.776 1.00 -8.80 H ATOM 189 2HA GLY A 14 -45.404 -4.483 29.380 1.00 -8.80 H ATOM 190 C GLY A 14 -45.553 -4.281 27.264 1.00 -8.80 C ATOM 191 O GLY A 14 -45.429 -3.073 27.065 1.00 -8.80 O ATOM 192 N LEU A 15 -45.237 -5.190 26.349 1.00 8.14 N ATOM 193 H LEU A 15 -45.356 -6.180 26.545 1.00 8.14 H ATOM 194 CA LEU A 15 -44.730 -4.815 25.028 1.00 8.14 C ATOM 195 HA LEU A 15 -44.682 -3.730 24.957 1.00 8.14 H ATOM 196 C LEU A 15 -45.657 -5.311 23.923 1.00 8.14 C ATOM 197 O LEU A 15 -46.221 -6.397 24.001 1.00 8.14 O ATOM 198 CB LEU A 15 -43.324 -5.377 24.790 1.00 8.14 C ATOM 199 1HB LEU A 15 -43.406 -6.461 24.774 1.00 8.14 H ATOM 200 2HB LEU A 15 -43.021 -5.058 23.795 1.00 8.14 H ATOM 201 CG LEU A 15 -42.178 -5.027 25.753 1.00 8.14 C ATOM 202 HG LEU A 15 -42.375 -5.508 26.710 1.00 8.14 H ATOM 203 CD1 LEU A 15 -40.873 -5.599 25.182 1.00 8.14 C ATOM 204 1HD1 LEU A 15 -40.064 -5.442 25.896 1.00 8.14 H ATOM 205 2HD1 LEU A 15 -40.618 -5.093 24.248 1.00 8.14 H ATOM 206 3HD1 LEU A 15 -40.979 -6.666 24.999 1.00 8.14 H ATOM 207 CD2 LEU A 15 -41.986 -3.535 26.010 1.00 8.14 C ATOM 208 1HD2 LEU A 15 -41.135 -3.379 26.673 1.00 8.14 H ATOM 209 2HD2 LEU A 15 -42.874 -3.132 26.497 1.00 8.14 H ATOM 210 3HD2 LEU A 15 -41.821 -3.007 25.078 1.00 8.14 H ATOM 211 N CYS A 16 -45.772 -4.512 22.878 1.00 -8.95 N ATOM 212 H CYS A 16 -45.220 -3.658 22.854 1.00 -8.95 H ATOM 213 CA CYS A 16 -46.599 -4.801 21.716 1.00 -8.95 C ATOM 214 HA CYS A 16 -47.285 -5.618 21.933 1.00 -8.95 H ATOM 215 C CYS A 16 -45.673 -5.178 20.569 1.00 -8.95 C ATOM 216 O CYS A 16 -44.509 -4.771 20.565 1.00 -8.95 O ATOM 217 CB CYS A 16 -47.370 -3.538 21.332 1.00 -8.95 C ATOM 218 1HB CYS A 16 -46.648 -2.800 20.991 1.00 -8.95 H ATOM 219 2HB CYS A 16 -48.043 -3.764 20.504 1.00 -8.95 H ATOM 220 SG CYS A 16 -48.315 -2.806 22.706 1.00 -8.95 S ATOM 221 N CYS A 17 -46.168 -5.908 19.583 1.00-17.89 N ATOM 222 H CYS A 17 -47.142 -6.204 19.606 1.00-17.89 H ATOM 223 CA CYS A 17 -45.376 -6.233 18.400 1.00-17.89 C ATOM 224 HA CYS A 17 -44.311 -6.187 18.624 1.00-17.89 H ATOM 225 C CYS A 17 -45.715 -5.224 17.325 1.00-17.89 C ATOM 226 O CYS A 17 -46.867 -5.137 16.913 1.00-17.89 O ATOM 227 CB CYS A 17 -45.737 -7.629 17.900 1.00-17.89 C ATOM 228 1HB CYS A 17 -45.487 -8.328 18.687 1.00-17.89 H ATOM 229 2HB CYS A 17 -46.813 -7.664 17.742 1.00-17.89 H ATOM 230 SG CYS A 17 -44.935 -8.175 16.355 1.00-17.89 S ATOM 231 N SER A 18 -44.730 -4.478 16.858 1.00-18.24 N ATOM 232 H SER A 18 -43.795 -4.591 17.236 1.00-18.24 H ATOM 233 CA SER A 18 -44.954 -3.517 15.783 1.00-18.24 C ATOM 234 HA SER A 18 -45.884 -2.978 15.961 1.00-18.24 H ATOM 235 C SER A 18 -45.028 -4.216 14.429 1.00-18.24 C ATOM 236 O SER A 18 -44.537 -5.332 14.275 1.00-18.24 O ATOM 237 CB SER A 18 -43.803 -2.520 15.739 1.00-18.24 C ATOM 238 1HB SER A 18 -43.970 -1.821 14.922 1.00-18.24 H ATOM 239 2HB SER A 18 -43.775 -1.963 16.671 1.00-18.24 H ATOM 240 OG SER A 18 -42.565 -3.195 15.560 1.00-18.24 O ATOM 241 HG SER A 18 -42.270 -3.500 16.435 1.00-18.24 H ATOM 242 N ILE A 19 -45.543 -3.536 13.413 1.00 4.08 N ATOM 243 H ILE A 19 -45.981 -2.629 13.599 1.00 4.08 H ATOM 244 CA ILE A 19 -45.507 -4.026 12.028 1.00 4.08 C ATOM 245 HA ILE A 19 -45.892 -5.040 12.008 1.00 4.08 H ATOM 246 C ILE A 19 -44.072 -4.105 11.508 1.00 4.08 C ATOM 247 O ILE A 19 -43.752 -4.902 10.622 1.00 4.08 O ATOM 248 CB ILE A 19 -46.396 -3.161 11.078 1.00 4.08 C ATOM 249 HB ILE A 19 -46.331 -3.588 10.077 1.00 4.08 H ATOM 250 CG1 ILE A 19 -45.899 -1.700 11.013 1.00 4.08 C ATOM 251 1HG1 ILE A 19 -45.994 -1.247 11.998 1.00 4.08 H ATOM 252 2HG1 ILE A 19 -44.846 -1.704 10.746 1.00 4.08 H ATOM 253 CG2 ILE A 19 -47.873 -3.240 11.524 1.00 4.08 C ATOM 254 1HG2 ILE A 19 -48.519 -2.782 10.774 1.00 4.08 H ATOM 255 2HG2 ILE A 19 -48.023 -2.721 12.468 1.00 4.08 H ATOM 256 3HG2 ILE A 19 -48.178 -4.279 11.638 1.00 4.08 H ATOM 257 CD1 ILE A 19 -46.618 -0.794 10.010 1.00 4.08 C ATOM 258 1HD1 ILE A 19 -46.123 0.177 9.984 1.00 4.08 H ATOM 259 2HD1 ILE A 19 -47.656 -0.642 10.310 1.00 4.08 H ATOM 260 3HD1 ILE A 19 -46.586 -1.238 9.015 1.00 4.08 H ATOM 261 N TYR A 20 -43.181 -3.343 12.128 1.00-11.69 N ATOM 262 H TYR A 20 -43.493 -2.701 12.843 1.00-11.69 H ATOM 263 CA TYR A 20 -41.760 -3.373 11.795 1.00-11.69 C ATOM 264 HA TYR A 20 -41.655 -3.303 10.713 1.00-11.69 H ATOM 265 C TYR A 20 -41.164 -4.699 12.268 1.00-11.69 C ATOM 266 O TYR A 20 -40.187 -5.209 11.722 1.00-11.69 O ATOM 267 CB TYR A 20 -41.068 -2.170 12.442 1.00-11.69 C ATOM 268 1HB TYR A 20 -40.920 -2.380 13.501 1.00-11.69 H ATOM 269 2HB TYR A 20 -40.095 -2.020 11.976 1.00-11.69 H ATOM 270 CG TYR A 20 -41.902 -0.906 12.323 1.00-11.69 C ATOM 271 CD1 TYR A 20 -42.385 -0.257 13.478 1.00-11.69 C ATOM 272 HD1 TYR A 20 -42.076 -0.594 14.458 1.00-11.69 H ATOM 273 CD2 TYR A 20 -42.268 -0.385 11.062 1.00-11.69 C ATOM 274 HD2 TYR A 20 -41.879 -0.833 10.158 1.00-11.69 H ATOM 275 CE1 TYR A 20 -43.294 0.828 13.380 1.00-11.69 C ATOM 276 HE1 TYR A 20 -43.682 1.294 14.272 1.00-11.69 H ATOM 277 CE2 TYR A 20 -43.172 0.713 10.962 1.00-11.69 C ATOM 278 HE2 TYR A 20 -43.461 1.091 9.993 1.00-11.69 H ATOM 279 CZ TYR A 20 -43.696 1.288 12.126 1.00-11.69 C ATOM 280 OH TYR A 20 -44.614 2.307 12.053 1.00-11.69 O ATOM 281 HH TYR A 20 -44.848 2.525 11.147 1.00-11.69 H ATOM 282 N GLY A 21 -41.859 -5.343 13.195 1.00 -9.58 N ATOM 283 H GLY A 21 -42.702 -4.922 13.581 1.00 -9.58 H ATOM 284 CA GLY A 21 -41.513 -6.680 13.634 1.00 -9.58 C ATOM 285 1HA GLY A 21 -42.433 -7.208 13.884 1.00 -9.58 H ATOM 286 2HA GLY A 21 -41.026 -7.203 12.829 1.00 -9.58 H ATOM 287 C GLY A 21 -40.605 -6.736 14.833 1.00 -9.58 C ATOM 288 O GLY A 21 -39.945 -7.752 15.052 1.00 -9.58 O ATOM 289 N TYR A 22 -40.604 -5.675 15.618 1.00-20.81 N ATOM 290 H TYR A 22 -41.189 -4.883 15.391 1.00-20.81 H ATOM 291 CA TYR A 22 -39.812 -5.612 16.838 1.00-20.81 C ATOM 292 HA TYR A 22 -39.289 -6.554 16.992 1.00-20.81 H ATOM 293 C TYR A 22 -40.794 -5.373 17.973 1.00-20.81 C ATOM 294 O TYR A 22 -41.866 -4.805 17.734 1.00-20.81 O ATOM 295 CB TYR A 22 -38.796 -4.476 16.724 1.00-20.81 C ATOM 296 1HB TYR A 22 -39.322 -3.531 16.829 1.00-20.81 H ATOM 297 2HB TYR A 22 -38.065 -4.559 17.529 1.00-20.81 H ATOM 298 CG TYR A 22 -38.094 -4.461 15.383 1.00-20.81 C ATOM 299 CD1 TYR A 22 -38.222 -3.346 14.529 1.00-20.81 C ATOM 300 HD1 TYR A 22 -38.786 -2.482 14.852 1.00-20.81 H ATOM 301 CD2 TYR A 22 -37.335 -5.566 14.937 1.00-20.81 C ATOM 302 HD2 TYR A 22 -37.208 -6.428 15.576 1.00-20.81 H ATOM 303 CE1 TYR A 22 -37.619 -3.339 13.246 1.00-20.81 C ATOM 304 HE1 TYR A 22 -37.712 -2.478 12.601 1.00-20.81 H ATOM 305 CE2 TYR A 22 -36.742 -5.565 13.645 1.00-20.81 C ATOM 306 HE2 TYR A 22 -36.169 -6.415 13.305 1.00-20.81 H ATOM 307 CZ TYR A 22 -36.892 -4.448 12.818 1.00-20.81 C ATOM 308 OH TYR A 22 -36.318 -4.431 11.576 1.00-20.81 O ATOM 309 HH TYR A 22 -35.877 -5.267 11.372 1.00-20.81 H ATOM 310 N CYS A 23 -40.460 -5.816 19.175 1.00-12.42 N ATOM 311 H CYS A 23 -39.574 -6.268 19.318 1.00-12.42 H ATOM 312 CA CYS A 23 -41.311 -5.575 20.336 1.00-12.42 C ATOM 313 HA CYS A 23 -42.348 -5.518 20.024 1.00-12.42 H ATOM 314 C CYS A 23 -40.879 -4.249 20.950 1.00-12.42 C ATOM 315 O CYS A 23 -39.710 -3.887 20.853 1.00-12.42 O ATOM 316 CB CYS A 23 -41.148 -6.681 21.384 1.00-12.42 C ATOM 317 1HB CYS A 23 -40.101 -6.711 21.686 1.00-12.42 H ATOM 318 2HB CYS A 23 -41.744 -6.413 22.257 1.00-12.42 H ATOM 319 SG CYS A 23 -41.650 -8.346 20.838 1.00-12.42 S ATOM 320 N GLY A 24 -41.790 -3.555 21.610 1.00 -7.82 N ATOM 321 H GLY A 24 -42.760 -3.873 21.641 1.00 -7.82 H ATOM 322 CA GLY A 24 -41.481 -2.294 22.263 1.00 -7.82 C ATOM 323 1HA GLY A 24 -40.797 -2.447 23.096 1.00 -7.82 H ATOM 324 2HA GLY A 24 -41.063 -1.586 21.550 1.00 -7.82 H ATOM 325 C GLY A 24 -42.825 -1.816 22.759 1.00 -7.82 C ATOM 326 O GLY A 24 -43.756 -2.604 22.684 1.00 -7.82 O ATOM 327 N SER A 25 -42.986 -0.597 23.243 1.00 15.69 N ATOM 328 H SER A 25 -42.224 0.066 23.261 1.00 15.69 H ATOM 329 CA SER A 25 -44.282 -0.152 23.750 1.00 15.69 C ATOM 330 HA SER A 25 -45.082 -0.750 23.314 1.00 15.69 H ATOM 331 C SER A 25 -44.506 1.298 23.346 1.00 15.69 C ATOM 332 O SER A 25 -43.613 1.937 22.789 1.00 15.69 O ATOM 333 CB SER A 25 -44.322 -0.323 25.270 1.00 15.69 C ATOM 334 1HB SER A 25 -45.294 -0.012 25.653 1.00 15.69 H ATOM 335 2HB SER A 25 -44.168 -1.375 25.507 1.00 15.69 H ATOM 336 OG SER A 25 -43.297 0.441 25.880 1.00 15.69 O ATOM 337 HG SER A 25 -43.252 0.195 26.811 1.00 15.69 H ATOM 338 N GLY A 26 -45.703 1.812 23.588 1.00 -9.81 N ATOM 339 H GLY A 26 -46.412 1.247 24.027 1.00 -9.81 H ATOM 340 CA GLY A 26 -46.033 3.171 23.189 1.00 -9.81 C ATOM 341 1HA GLY A 26 -46.805 3.563 23.851 1.00 -9.81 H ATOM 342 2HA GLY A 26 -45.149 3.804 23.269 1.00 -9.81 H ATOM 343 C GLY A 26 -46.542 3.203 21.763 1.00 -9.81 C ATOM 344 O GLY A 26 -46.692 2.160 21.126 1.00 -9.81 O ATOM 345 N ASN A 27 -46.829 4.387 21.242 1.00 -8.38 N ATOM 346 H ASN A 27 -46.666 5.228 21.787 1.00 -8.38 H ATOM 347 CA ASN A 27 -47.500 4.530 19.946 1.00 -8.38 C ATOM 348 HA ASN A 27 -48.483 4.063 20.022 1.00 -8.38 H ATOM 349 C ASN A 27 -46.770 3.850 18.793 1.00 -8.38 C ATOM 350 O ASN A 27 -47.409 3.295 17.913 1.00 -8.38 O ATOM 351 CB ASN A 27 -47.692 6.012 19.589 1.00 -8.38 C ATOM 352 1HB ASN A 27 -46.723 6.510 19.572 1.00 -8.38 H ATOM 353 2HB ASN A 27 -48.127 6.072 18.591 1.00 -8.38 H ATOM 354 CG ASN A 27 -48.595 6.743 20.555 1.00 -8.38 C ATOM 355 OD1 ASN A 27 -48.362 6.749 21.752 1.00 -8.38 O ATOM 356 ND2 ASN A 27 -49.620 7.369 20.048 1.00 -8.38 N ATOM 357 1HD2 ASN A 27 -50.233 7.861 20.678 1.00 -8.38 H ATOM 358 2HD2 ASN A 27 -49.783 7.369 19.057 1.00 -8.38 H ATOM 359 N ALA A 28 -45.445 3.842 18.820 1.00 0.10 N ATOM 360 H ALA A 28 -44.964 4.277 19.589 1.00 0.10 H ATOM 361 CA ALA A 28 -44.648 3.228 17.758 1.00 0.10 C ATOM 362 HA ALA A 28 -44.951 3.665 16.805 1.00 0.10 H ATOM 363 C ALA A 28 -44.832 1.707 17.638 1.00 0.10 C ATOM 364 O ALA A 28 -44.504 1.129 16.610 1.00 0.10 O ATOM 365 CB ALA A 28 -43.169 3.566 17.989 1.00 0.10 C ATOM 366 1HB ALA A 28 -43.024 4.646 17.967 1.00 0.10 H ATOM 367 2HB ALA A 28 -42.569 3.114 17.195 1.00 0.10 H ATOM 368 3HB ALA A 28 -42.837 3.170 18.949 1.00 0.10 H ATOM 369 N TYR A 29 -45.337 1.068 18.684 1.00 17.64 N ATOM 370 H TYR A 29 -45.576 1.590 19.517 1.00 17.64 H ATOM 371 CA TYR A 29 -45.513 -0.384 18.691 1.00 17.64 C ATOM 372 HA TYR A 29 -45.185 -0.797 17.741 1.00 17.64 H ATOM 373 C TYR A 29 -46.951 -0.835 18.903 1.00 17.64 C ATOM 374 O TYR A 29 -47.341 -1.893 18.434 1.00 17.64 O ATOM 375 CB TYR A 29 -44.641 -0.979 19.793 1.00 17.64 C ATOM 376 1HB TYR A 29 -44.916 -0.530 20.746 1.00 17.64 H ATOM 377 2HB TYR A 29 -44.828 -2.051 19.846 1.00 17.64 H ATOM 378 CG TYR A 29 -43.165 -0.765 19.546 1.00 17.64 C ATOM 379 CD1 TYR A 29 -42.407 -1.752 18.894 1.00 17.64 C ATOM 380 HD1 TYR A 29 -42.878 -2.680 18.608 1.00 17.64 H ATOM 381 CD2 TYR A 29 -42.512 0.415 19.963 1.00 17.64 C ATOM 382 HD2 TYR A 29 -43.067 1.180 20.486 1.00 17.64 H ATOM 383 CE1 TYR A 29 -41.032 -1.553 18.622 1.00 17.64 C ATOM 384 HE1 TYR A 29 -40.459 -2.315 18.124 1.00 17.64 H ATOM 385 CE2 TYR A 29 -41.132 0.617 19.694 1.00 17.64 C ATOM 386 HE2 TYR A 29 -40.645 1.528 20.009 1.00 17.64 H ATOM 387 CZ TYR A 29 -40.409 -0.370 19.015 1.00 17.64 C ATOM 388 OH TYR A 29 -39.079 -0.188 18.739 1.00 17.64 O ATOM 389 HH TYR A 29 -38.742 0.646 19.070 1.00 17.64 H ATOM 390 N CYS A 30 -47.725 -0.044 19.631 1.00 7.56 N ATOM 391 H CYS A 30 -47.337 0.805 20.028 1.00 7.56 H ATOM 392 CA CYS A 30 -49.100 -0.391 19.982 1.00 7.56 C ATOM 393 HA CYS A 30 -49.269 -1.450 19.782 1.00 7.56 H ATOM 394 C CYS A 30 -50.150 0.427 19.225 1.00 7.56 C ATOM 395 O CYS A 30 -51.342 0.183 19.359 1.00 7.56 O ATOM 396 CB CYS A 30 -49.292 -0.144 21.481 1.00 7.56 C ATOM 397 1HB CYS A 30 -49.327 0.933 21.638 1.00 7.56 H ATOM 398 2HB CYS A 30 -50.254 -0.555 21.789 1.00 7.56 H ATOM 399 SG CYS A 30 -47.972 -0.812 22.552 1.00 7.56 S ATOM 400 N GLY A 31 -49.724 1.431 18.468 1.00 -6.89 N ATOM 401 H GLY A 31 -48.735 1.595 18.334 1.00 -6.89 H ATOM 402 CA GLY A 31 -50.671 2.314 17.801 1.00 -6.89 C ATOM 403 1HA GLY A 31 -51.419 2.634 18.527 1.00 -6.89 H ATOM 404 2HA GLY A 31 -50.144 3.194 17.433 1.00 -6.89 H ATOM 405 C GLY A 31 -51.385 1.654 16.639 1.00 -6.89 C ATOM 406 O GLY A 31 -50.883 0.695 16.070 1.00 -6.89 O ATOM 407 N ALA A 32 -52.548 2.162 16.253 1.00 -2.86 N ATOM 408 H ALA A 32 -52.915 2.975 16.717 1.00 -2.86 H ATOM 409 CA ALA A 32 -53.360 1.520 15.216 1.00 -2.86 C ATOM 410 HA ALA A 32 -53.576 0.502 15.547 1.00 -2.86 H ATOM 411 C ALA A 32 -52.681 1.398 13.842 1.00 -2.86 C ATOM 412 O ALA A 32 -52.934 0.455 13.109 1.00 -2.86 O ATOM 413 CB ALA A 32 -54.695 2.268 15.084 1.00 -2.86 C ATOM 414 1HB ALA A 32 -55.215 2.273 16.043 1.00 -2.86 H ATOM 415 2HB ALA A 32 -55.320 1.757 14.348 1.00 -2.86 H ATOM 416 3HB ALA A 32 -54.523 3.292 14.751 1.00 -2.86 H ATOM 417 N GLY A 33 -51.805 2.336 13.505 1.00 2.23 N ATOM 418 H GLY A 33 -51.617 3.098 14.134 1.00 2.23 H ATOM 419 CA GLY A 33 -51.089 2.281 12.237 1.00 2.23 C ATOM 420 1HA GLY A 33 -51.676 1.733 11.500 1.00 2.23 H ATOM 421 2HA GLY A 33 -50.938 3.296 11.874 1.00 2.23 H ATOM 422 C GLY A 33 -49.727 1.627 12.371 1.00 2.23 C ATOM 423 O GLY A 33 -48.906 1.689 11.462 1.00 2.23 O ATOM 424 N ASN A 34 -49.448 1.100 13.554 1.00 20.45 N ATOM 425 H ASN A 34 -50.177 1.052 14.256 1.00 20.45 H ATOM 426 CA ASN A 34 -48.095 0.692 13.926 1.00 20.45 C ATOM 427 HA ASN A 34 -47.440 0.770 13.058 1.00 20.45 H ATOM 428 C ASN A 34 -47.999 -0.722 14.482 1.00 20.45 C ATOM 429 O ASN A 34 -46.937 -1.330 14.447 1.00 20.45 O ATOM 430 CB ASN A 34 -47.590 1.646 15.009 1.00 20.45 C ATOM 431 1HB ASN A 34 -48.150 1.468 15.924 1.00 20.45 H ATOM 432 2HB ASN A 34 -46.540 1.442 15.198 1.00 20.45 H ATOM 433 CG ASN A 34 -47.758 3.095 14.636 1.00 20.45 C ATOM 434 OD1 ASN A 34 -48.742 3.736 14.999 1.00 20.45 O ATOM 435 ND2 ASN A 34 -46.827 3.622 13.889 1.00 20.45 N ATOM 436 1HD2 ASN A 34 -46.916 4.585 13.619 1.00 20.45 H ATOM 437 2HD2 ASN A 34 -46.050 3.060 13.575 1.00 20.45 H ATOM 438 N CYS A 35 -49.091 -1.220 15.039 1.00 13.05 N ATOM 439 H CYS A 35 -49.942 -0.672 15.051 1.00 13.05 H ATOM 440 CA CYS A 35 -49.127 -2.514 15.708 1.00 13.05 C ATOM 441 HA CYS A 35 -48.171 -2.698 16.196 1.00 13.05 H ATOM 442 C CYS A 35 -49.436 -3.668 14.764 1.00 13.05 C ATOM 443 O CYS A 35 -50.376 -3.607 13.976 1.00 13.05 O ATOM 444 CB CYS A 35 -50.227 -2.495 16.767 1.00 13.05 C ATOM 445 1HB CYS A 35 -50.090 -1.629 17.411 1.00 13.05 H ATOM 446 2HB CYS A 35 -51.192 -2.410 16.265 1.00 13.05 H ATOM 447 SG CYS A 35 -50.219 -4.000 17.785 1.00 13.05 S ATOM 448 N ARG A 36 -48.684 -4.751 14.883 1.00 8.84 N ATOM 449 H ARG A 36 -47.907 -4.738 15.547 1.00 8.84 H ATOM 450 CA ARG A 36 -48.985 -5.988 14.168 1.00 8.84 C ATOM 451 HA ARG A 36 -49.506 -5.735 13.246 1.00 8.84 H ATOM 452 C ARG A 36 -49.904 -6.869 14.997 1.00 8.84 C ATOM 453 O ARG A 36 -50.842 -7.454 14.450 1.00 8.84 O ATOM 454 CB ARG A 36 -47.690 -6.744 13.850 1.00 8.84 C ATOM 455 1HB ARG A 36 -47.050 -6.090 13.275 1.00 8.84 H ATOM 456 2HB ARG A 36 -47.181 -6.979 14.783 1.00 8.84 H ATOM 457 CG ARG A 36 -47.878 -8.037 13.072 1.00 8.84 C ATOM 458 1HG ARG A 36 -46.922 -8.552 12.991 1.00 8.84 H ATOM 459 2HG ARG A 36 -48.562 -8.672 13.626 1.00 8.84 H ATOM 460 CD ARG A 36 -48.457 -7.818 11.678 1.00 8.84 C ATOM 461 1HD ARG A 36 -49.332 -7.171 11.739 1.00 8.84 H ATOM 462 2HD ARG A 36 -47.710 -7.332 11.049 1.00 8.84 H ATOM 463 NE ARG A 36 -48.868 -9.095 11.076 1.00 8.84 N ATOM 464 HE ARG A 36 -48.212 -9.523 10.445 1.00 8.84 H ATOM 465 CZ ARG A 36 -50.029 -9.711 11.265 1.00 8.84 C ATOM 466 NH1 ARG A 36 -50.260 -10.813 10.606 1.00 8.84 N ATOM 467 1HH1 ARG A 36 -49.566 -11.182 9.977 1.00 8.84 H ATOM 468 2HH1 ARG A 36 -51.132 -11.300 10.727 1.00 8.84 H ATOM 469 NH2 ARG A 36 -50.967 -9.295 12.080 1.00 8.84 N ATOM 470 1HH2 ARG A 36 -50.813 -8.473 12.662 1.00 8.84 H ATOM 471 2HH2 ARG A 36 -51.841 -9.783 12.150 1.00 8.84 H ATOM 472 N CYS A 37 -49.604 -7.010 16.281 1.00 1.94 N ATOM 473 H CYS A 37 -48.807 -6.509 16.669 1.00 1.94 H ATOM 474 CA CYS A 37 -50.374 -7.847 17.201 1.00 1.94 C ATOM 475 HA CYS A 37 -51.432 -7.606 17.101 1.00 1.94 H ATOM 476 C CYS A 37 -49.937 -7.545 18.641 1.00 1.94 C ATOM 477 O CYS A 37 -48.932 -6.866 18.847 1.00 1.94 O ATOM 478 CB CYS A 37 -50.184 -9.333 16.863 1.00 1.94 C ATOM 479 1HB CYS A 37 -50.754 -9.931 17.571 1.00 1.94 H ATOM 480 2HB CYS A 37 -50.600 -9.505 15.871 1.00 1.94 H ATOM 481 SG CYS A 37 -48.464 -9.920 16.846 1.00 1.94 S ATOM 482 N GLN A 38 -50.701 -8.041 19.611 1.00 -1.18 N ATOM 483 H GLN A 38 -51.465 -8.647 19.357 1.00 -1.18 H ATOM 484 CA GLN A 38 -50.505 -7.782 21.047 1.00 -1.18 C ATOM 485 HA GLN A 38 -51.361 -8.223 21.555 1.00 -1.18 H ATOM 486 C GLN A 38 -50.486 -6.287 21.409 1.00 -1.18 C ATOM 487 O GLN A 38 -49.697 -5.835 22.225 1.00 -1.18 O ATOM 488 CB GLN A 38 -49.260 -8.520 21.571 1.00 -1.18 C ATOM 489 1HB GLN A 38 -49.202 -9.472 21.056 1.00 -1.18 H ATOM 490 2HB GLN A 38 -48.368 -7.942 21.328 1.00 -1.18 H ATOM 491 CG GLN A 38 -49.288 -8.808 23.073 1.00 -1.18 C ATOM 492 1HG GLN A 38 -49.456 -7.878 23.604 1.00 -1.18 H ATOM 493 2HG GLN A 38 -50.114 -9.483 23.292 1.00 -1.18 H ATOM 494 CD GLN A 38 -48.006 -9.411 23.598 1.00 -1.18 C ATOM 495 OE1 GLN A 38 -47.371 -10.229 22.944 1.00 -1.18 O ATOM 496 NE2 GLN A 38 -47.640 -9.055 24.794 1.00 -1.18 N ATOM 497 1HE2 GLN A 38 -46.748 -9.352 25.152 1.00 -1.18 H ATOM 498 2HE2 GLN A 38 -48.235 -8.431 25.330 1.00 -1.18 H ATOM 499 N CYS A 39 -51.379 -5.507 20.814 1.00 -0.93 N ATOM 500 H CYS A 39 -52.050 -5.912 20.185 1.00 -0.93 H ATOM 501 CA CYS A 39 -51.379 -4.043 20.952 1.00 -0.93 C ATOM 502 HA CYS A 39 -50.374 -3.708 20.699 1.00 -0.93 H ATOM 503 C CYS A 39 -51.722 -3.418 22.315 1.00 -0.93 C ATOM 504 O CYS A 39 -52.065 -2.243 22.381 1.00 -0.93 O ATOM 505 CB CYS A 39 -52.331 -3.466 19.903 1.00 -0.93 C ATOM 506 1HB CYS A 39 -53.356 -3.589 20.252 1.00 -0.93 H ATOM 507 2HB CYS A 39 -52.136 -2.397 19.793 1.00 -0.93 H ATOM 508 SG CYS A 39 -52.164 -4.284 18.285 1.00 -0.93 S ATOM 509 N ARG A 40 -51.647 -4.188 23.393 1.00-15.40 N ATOM 510 H ARG A 40 -51.355 -5.149 23.275 1.00-15.40 H ATOM 511 CA ARG A 40 -51.888 -3.685 24.749 1.00-15.40 C ATOM 512 HA ARG A 40 -51.830 -2.595 24.726 1.00-15.40 H ATOM 513 C ARG A 40 -50.837 -4.173 25.745 1.00-15.40 C ATOM 514 O ARG A 40 -50.984 -3.954 26.948 1.00-15.40 O ATOM 515 CB ARG A 40 -53.297 -4.076 25.219 1.00-15.40 C ATOM 516 1HB ARG A 40 -53.526 -3.496 26.112 1.00-15.40 H ATOM 517 2HB ARG A 40 -54.013 -3.790 24.448 1.00-15.40 H ATOM 518 CG ARG A 40 -53.484 -5.565 25.539 1.00-15.40 C ATOM 519 1HG ARG A 40 -54.218 -5.997 24.860 1.00-15.40 H ATOM 520 2HG ARG A 40 -52.540 -6.089 25.402 1.00-15.40 H ATOM 521 CD ARG A 40 -53.950 -5.763 26.984 1.00-15.40 C ATOM 522 1HD ARG A 40 -53.567 -4.952 27.604 1.00-15.40 H ATOM 523 2HD ARG A 40 -55.040 -5.736 27.015 1.00-15.40 H ATOM 524 NE ARG A 40 -53.466 -7.043 27.524 1.00-15.40 N ATOM 525 HE ARG A 40 -54.032 -7.851 27.336 1.00-15.40 H ATOM 526 CZ ARG A 40 -52.334 -7.229 28.194 1.00-15.40 C ATOM 527 NH1 ARG A 40 -51.966 -8.445 28.482 1.00-15.40 N ATOM 528 1HH1 ARG A 40 -52.552 -9.225 28.254 1.00-15.40 H ATOM 529 2HH1 ARG A 40 -51.049 -8.584 28.878 1.00-15.40 H ATOM 530 NH2 ARG A 40 -51.545 -6.268 28.589 1.00-15.40 N ATOM 531 1HH2 ARG A 40 -51.748 -5.305 28.345 1.00-15.40 H ATOM 532 2HH2 ARG A 40 -50.665 -6.489 29.029 1.00-15.40 H ATOM 533 N GLY A 41 -49.822 -4.875 25.256 1.00 0.02 N ATOM 534 H GLY A 41 -49.716 -4.996 24.258 1.00 0.02 H ATOM 535 CA GLY A 41 -48.847 -5.515 26.127 1.00 0.02 C ATOM 536 1HA GLY A 41 -47.921 -5.651 25.577 1.00 0.02 H ATOM 537 2HA GLY A 41 -48.651 -4.866 26.978 1.00 0.02 H ATOM 538 C GLY A 41 -49.286 -6.867 26.647 1.00 0.02 C ATOM 539 O GLY A 41 -48.820 -7.278 27.734 1.00 0.02 O ATOM 540 OXT GLY A 41 -50.105 -7.531 25.986 1.00 0.02 O TER 541 GLY A 41 CONECT 43 40 230 CONECT 98 95 481 CONECT 160 157 319 CONECT 220 217 399 CONECT 230 43 227 CONECT 319 160 316 CONECT 399 220 396 CONECT 447 444 508 CONECT 481 98 478 CONECT 508 447 505 END
SEQUENCE	QTCASRCPRPCNAGLCCSIYGYCGSGNAYCGAGNCRCQCRG
HELICITY	0.00	INSTAB. INDEX	3.37	FLEXIBILITY	18.54
a HYD. MOM.	27.40	b HYD. MOM.	13.10	c HYD. MOM	2.09
a MEAN HYD. MOM.	0.67	b MEAN HYD. MOM.	0.32	c MEAN HYD. MOM.	0.05
CHARGE pH5	4.00	CHARGE pH7	3.55	CHARGE pH9	-4.68
Δ CHARGE pH5-pH9	8.68	ISOELECTRIC POINT	8.62	BOMAN INDEX	1.64
ΔG	19	CPP	-0,16	MLP	-8,14
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	Magnoliophyta	CLASS	Magnoliopsida	ORDER	Eucommiales
FAMILY	Eucommiaceae	GENUS	Eucommia	SPECIES	Eucommia ulmoides
DATE	2002
TITLE PAPER	Two novel antifungal peptides distinct with a five-disulfide motif from the bark of Eucommia ulmoides Oliv