Back to Resultset

ID	2514	NAME	WAMP-1b   Blast NCBI-PROT
LENGTH	45	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\AQRCGDQARGAKCPNCLCCGKYGFCGSGDAYCGAGSCQSQCRGCR.pdb REMARK YASARA Written on: Wed May 14 21:30:26 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 592 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA REMARK 2 RESOLUTION. 1.66 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 15.65000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 38.55000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 20.80000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 38.55000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 15.65000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 20.80000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (AGGLUTININ ISOLECTIN VI/AGGLUTININ; COMPND 3 CHAIN: A; SEQRES 1 A 45 ALA GLN ARG CYS GLY ASP GLN ALA ARG GLY ALA LYS CYS SEQRES 2 A 45 PRO ASN CYS LEU CYS CYS GLY LYS TYR GLY PHE CYS GLY SEQRES 3 A 45 SER GLY ASP ALA TYR CYS GLY ALA GLY SER CYS GLN SER SEQRES 4 A 45 GLN CYS ARG GLY CYS ARG CRYST1 31.300 41.600 77.100 90.00 90.00 90.00 P 21 21 21 4 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 0.031950 0.000000 0.000000 0.00000 SCALE2 0.000000 0.024040 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012970 0.00000 SSBOND 1 CYS A 4 CYS A 19 2.03 SSBOND 3 CYS A 13 CYS A 25 2.03 SSBOND 5 CYS A 18 CYS A 32 2.03 SSBOND 7 CYS A 37 CYS A 41 2.03 ATOM 1 N ALA A 1 -67.827 4.312 1.547 1.00-20.08 N ATOM 2 1H ALA A 1 -67.502 4.250 0.592 1.00-20.08 H ATOM 3 2H ALA A 1 -68.708 4.802 1.577 1.00-20.08 H ATOM 4 3H ALA A 1 -67.943 3.378 1.914 1.00-20.08 H ATOM 5 CA ALA A 1 -66.817 5.039 2.365 1.00-20.08 C ATOM 6 HA ALA A 1 -66.687 6.038 1.950 1.00-20.08 H ATOM 7 C ALA A 1 -65.493 4.305 2.277 1.00-20.08 C ATOM 8 O ALA A 1 -65.438 3.268 1.636 1.00-20.08 O ATOM 9 CB ALA A 1 -67.287 5.161 3.841 1.00-20.08 C ATOM 10 1HB ALA A 1 -68.255 5.665 3.884 1.00-20.08 H ATOM 11 2HB ALA A 1 -66.571 5.755 4.409 1.00-20.08 H ATOM 12 3HB ALA A 1 -67.370 4.172 4.296 1.00-20.08 H ATOM 13 N GLN A 2 -64.462 4.822 2.926 1.00-10.68 N ATOM 14 H GLN A 2 -64.571 5.684 3.446 1.00-10.68 H ATOM 15 CA GLN A 2 -63.148 4.193 3.038 1.00-10.68 C ATOM 16 HA GLN A 2 -63.226 3.106 3.110 1.00-10.68 H ATOM 17 C GLN A 2 -62.721 4.818 4.361 1.00-10.68 C ATOM 18 O GLN A 2 -63.352 5.807 4.742 1.00-10.68 O ATOM 19 CB GLN A 2 -62.220 4.622 1.890 1.00-10.68 C ATOM 20 1HB GLN A 2 -62.844 4.906 1.043 1.00-10.68 H ATOM 21 2HB GLN A 2 -61.660 5.503 2.203 1.00-10.68 H ATOM 22 CG GLN A 2 -61.231 3.554 1.401 1.00-10.68 C ATOM 23 1HG GLN A 2 -61.786 2.662 1.112 1.00-10.68 H ATOM 24 2HG GLN A 2 -60.715 3.938 0.522 1.00-10.68 H ATOM 25 CD GLN A 2 -60.191 3.165 2.436 1.00-10.68 C ATOM 26 OE1 GLN A 2 -60.473 2.421 3.365 1.00-10.68 O ATOM 27 NE2 GLN A 2 -59.000 3.678 2.304 1.00-10.68 N ATOM 28 1HE2 GLN A 2 -58.307 3.458 3.000 1.00-10.68 H ATOM 29 2HE2 GLN A 2 -58.785 4.291 1.541 1.00-10.68 H ATOM 30 N ARG A 3 -61.722 4.295 5.057 1.00-14.63 N ATOM 31 H ARG A 3 -61.247 3.463 4.709 1.00-14.63 H ATOM 32 CA ARG A 3 -61.199 4.954 6.255 1.00-14.63 C ATOM 33 HA ARG A 3 -62.013 5.431 6.800 1.00-14.63 H ATOM 34 C ARG A 3 -60.200 6.028 5.858 1.00-14.63 C ATOM 35 O ARG A 3 -59.566 5.937 4.809 1.00-14.63 O ATOM 36 CB ARG A 3 -60.493 3.965 7.183 1.00-14.63 C ATOM 37 1HB ARG A 3 -59.810 3.344 6.602 1.00-14.63 H ATOM 38 2HB ARG A 3 -59.909 4.538 7.902 1.00-14.63 H ATOM 39 CG ARG A 3 -61.443 3.090 7.970 1.00-14.63 C ATOM 40 1HG ARG A 3 -62.159 3.736 8.478 1.00-14.63 H ATOM 41 2HG ARG A 3 -61.976 2.410 7.305 1.00-14.63 H ATOM 42 CD ARG A 3 -60.681 2.303 9.019 1.00-14.63 C ATOM 43 1HD ARG A 3 -60.070 1.538 8.537 1.00-14.63 H ATOM 44 2HD ARG A 3 -60.025 2.994 9.544 1.00-14.63 H ATOM 45 NE ARG A 3 -61.594 1.686 9.993 1.00-14.63 N ATOM 46 HE ARG A 3 -62.489 1.393 9.643 1.00-14.63 H ATOM 47 CZ ARG A 3 -61.360 1.520 11.289 1.00-14.63 C ATOM 48 NH1 ARG A 3 -62.315 1.041 12.036 1.00-14.63 N ATOM 49 1HH1 ARG A 3 -63.180 0.741 11.630 1.00-14.63 H ATOM 50 2HH1 ARG A 3 -62.189 1.015 13.034 1.00-14.63 H ATOM 51 NH2 ARG A 3 -60.235 1.825 11.881 1.00-14.63 N ATOM 52 1HH2 ARG A 3 -59.471 2.229 11.348 1.00-14.63 H ATOM 53 2HH2 ARG A 3 -60.146 1.722 12.875 1.00-14.63 H ATOM 54 N CYS A 4 -60.049 7.011 6.729 1.00 0.92 N ATOM 55 H CYS A 4 -60.621 7.020 7.573 1.00 0.92 H ATOM 56 CA CYS A 4 -59.091 8.099 6.589 1.00 0.92 C ATOM 57 HA CYS A 4 -58.119 7.745 6.246 1.00 0.92 H ATOM 58 C CYS A 4 -59.011 8.650 8.003 1.00 0.92 C ATOM 59 O CYS A 4 -59.660 8.104 8.896 1.00 0.92 O ATOM 60 CB CYS A 4 -59.636 9.176 5.657 1.00 0.92 C ATOM 61 1HB CYS A 4 -58.895 9.966 5.542 1.00 0.92 H ATOM 62 2HB CYS A 4 -59.814 8.725 4.683 1.00 0.92 H ATOM 63 SG CYS A 4 -61.189 9.895 6.278 1.00 0.92 S ATOM 64 N GLY A 5 -58.301 9.748 8.206 1.00 -4.84 N ATOM 65 H GLY A 5 -57.657 10.083 7.494 1.00 -4.84 H ATOM 66 CA GLY A 5 -58.451 10.497 9.440 1.00 -4.84 C ATOM 67 1HA GLY A 5 -57.907 11.439 9.380 1.00 -4.84 H ATOM 68 2HA GLY A 5 -59.508 10.704 9.612 1.00 -4.84 H ATOM 69 C GLY A 5 -57.926 9.672 10.585 1.00 -4.84 C ATOM 70 O GLY A 5 -57.083 8.814 10.360 1.00 -4.84 O ATOM 71 N ASP A 6 -58.395 9.876 11.801 1.00 -7.95 N ATOM 72 H ASP A 6 -59.093 10.599 11.963 1.00 -7.95 H ATOM 73 CA ASP A 6 -57.875 9.100 12.929 1.00 -7.95 C ATOM 74 HA ASP A 6 -56.790 9.168 12.898 1.00 -7.95 H ATOM 75 C ASP A 6 -58.181 7.606 12.911 1.00 -7.95 C ATOM 76 O ASP A 6 -57.420 6.820 13.472 1.00 -7.95 O ATOM 77 CB ASP A 6 -58.317 9.719 14.247 1.00 -7.95 C ATOM 78 1HB ASP A 6 -59.347 10.065 14.154 1.00 -7.95 H ATOM 79 2HB ASP A 6 -58.268 8.963 15.031 1.00 -7.95 H ATOM 80 CG ASP A 6 -57.418 10.860 14.643 1.00 -7.95 C ATOM 81 OD1 ASP A 6 -56.190 10.619 14.735 1.00 -7.95 O ATOM 82 OD2 ASP A 6 -57.890 12.001 14.790 1.00 -7.95 O ATOM 83 N GLN A 7 -59.193 7.173 12.171 1.00 0.60 N ATOM 84 H GLN A 7 -59.771 7.836 11.673 1.00 0.60 H ATOM 85 CA GLN A 7 -59.443 5.735 12.012 1.00 0.60 C ATOM 86 HA GLN A 7 -59.371 5.256 12.989 1.00 0.60 H ATOM 87 C GLN A 7 -58.388 5.084 11.114 1.00 0.60 C ATOM 88 O GLN A 7 -58.289 3.858 11.048 1.00 0.60 O ATOM 89 CB GLN A 7 -60.839 5.473 11.443 1.00 0.60 C ATOM 90 1HB GLN A 7 -60.955 6.058 10.534 1.00 0.60 H ATOM 91 2HB GLN A 7 -60.913 4.423 11.178 1.00 0.60 H ATOM 92 CG GLN A 7 -61.985 5.792 12.401 1.00 0.60 C ATOM 93 1HG GLN A 7 -61.945 6.844 12.673 1.00 0.60 H ATOM 94 2HG GLN A 7 -62.930 5.605 11.891 1.00 0.60 H ATOM 95 CD GLN A 7 -61.952 4.968 13.671 1.00 0.60 C ATOM 96 OE1 GLN A 7 -61.828 3.749 13.643 1.00 0.60 O ATOM 97 NE2 GLN A 7 -62.050 5.621 14.796 1.00 0.60 N ATOM 98 1HE2 GLN A 7 -62.010 5.105 15.657 1.00 0.60 H ATOM 99 2HE2 GLN A 7 -62.171 6.621 14.793 1.00 0.60 H ATOM 100 N ALA A 8 -57.574 5.901 10.461 1.00 33.30 N ATOM 101 H ALA A 8 -57.744 6.902 10.501 1.00 33.30 H ATOM 102 CA ALA A 8 -56.403 5.448 9.718 1.00 33.30 C ATOM 103 HA ALA A 8 -56.182 4.413 9.985 1.00 33.30 H ATOM 104 C ALA A 8 -55.199 6.314 10.128 1.00 33.30 C ATOM 105 O ALA A 8 -54.332 6.624 9.311 1.00 33.30 O ATOM 106 CB ALA A 8 -56.685 5.527 8.220 1.00 33.30 C ATOM 107 1HB ALA A 8 -57.553 4.916 7.976 1.00 33.30 H ATOM 108 2HB ALA A 8 -55.821 5.154 7.667 1.00 33.30 H ATOM 109 3HB ALA A 8 -56.876 6.561 7.941 1.00 33.30 H ATOM 110 N ARG A 9 -55.213 6.748 11.387 1.00 14.47 N ATOM 111 H ARG A 9 -56.004 6.476 11.966 1.00 14.47 H ATOM 112 CA ARG A 9 -54.190 7.602 12.021 1.00 14.47 C ATOM 113 HA ARG A 9 -54.720 8.146 12.799 1.00 14.47 H ATOM 114 C ARG A 9 -53.534 8.684 11.145 1.00 14.47 C ATOM 115 O ARG A 9 -52.322 8.863 11.101 1.00 14.47 O ATOM 116 CB ARG A 9 -53.171 6.702 12.737 1.00 14.47 C ATOM 117 1HB ARG A 9 -53.728 5.890 13.203 1.00 14.47 H ATOM 118 2HB ARG A 9 -52.514 6.260 11.987 1.00 14.47 H ATOM 119 CG ARG A 9 -52.295 7.343 13.837 1.00 14.47 C ATOM 120 1HG ARG A 9 -51.618 6.569 14.198 1.00 14.47 H ATOM 121 2HG ARG A 9 -51.684 8.130 13.402 1.00 14.47 H ATOM 122 CD ARG A 9 -53.045 7.918 15.059 1.00 14.47 C ATOM 123 1HD ARG A 9 -53.863 7.244 15.318 1.00 14.47 H ATOM 124 2HD ARG A 9 -52.350 7.933 15.899 1.00 14.47 H ATOM 125 NE ARG A 9 -53.579 9.283 14.887 1.00 14.47 N ATOM 126 HE ARG A 9 -54.589 9.385 14.783 1.00 14.47 H ATOM 127 CZ ARG A 9 -52.892 10.418 14.910 1.00 14.47 C ATOM 128 NH1 ARG A 9 -53.552 11.536 14.840 1.00 14.47 N ATOM 129 1HH1 ARG A 9 -54.578 11.492 14.797 1.00 14.47 H ATOM 130 2HH1 ARG A 9 -53.085 12.419 14.841 1.00 14.47 H ATOM 131 NH2 ARG A 9 -51.588 10.489 15.005 1.00 14.47 N ATOM 132 1HH2 ARG A 9 -51.052 9.641 15.036 1.00 14.47 H ATOM 133 2HH2 ARG A 9 -51.132 11.381 15.033 1.00 14.47 H ATOM 134 N GLY A 10 -54.379 9.451 10.478 1.00 -5.38 N ATOM 135 H GLY A 10 -55.372 9.235 10.526 1.00 -5.38 H ATOM 136 CA GLY A 10 -53.950 10.599 9.696 1.00 -5.38 C ATOM 137 1HA GLY A 10 -54.652 11.410 9.886 1.00 -5.38 H ATOM 138 2HA GLY A 10 -52.966 10.921 10.036 1.00 -5.38 H ATOM 139 C GLY A 10 -53.894 10.395 8.195 1.00 -5.38 C ATOM 140 O GLY A 10 -53.609 11.359 7.475 1.00 -5.38 O ATOM 141 N ALA A 11 -54.184 9.200 7.695 1.00 -6.24 N ATOM 142 H ALA A 11 -54.386 8.424 8.321 1.00 -6.24 H ATOM 143 CA ALA A 11 -54.234 8.975 6.249 1.00 -6.24 C ATOM 144 HA ALA A 11 -53.280 9.283 5.820 1.00 -6.24 H ATOM 145 C ALA A 11 -55.347 9.817 5.605 1.00 -6.24 C ATOM 146 O ALA A 11 -56.272 10.277 6.279 1.00 -6.24 O ATOM 147 CB ALA A 11 -54.440 7.489 5.949 1.00 -6.24 C ATOM 148 1HB ALA A 11 -53.719 6.892 6.511 1.00 -6.24 H ATOM 149 2HB ALA A 11 -54.302 7.299 4.884 1.00 -6.24 H ATOM 150 3HB ALA A 11 -55.449 7.194 6.231 1.00 -6.24 H ATOM 151 N LYS A 12 -55.268 10.019 4.297 1.00 3.92 N ATOM 152 H LYS A 12 -54.542 9.561 3.765 1.00 3.92 H ATOM 153 CA LYS A 12 -56.237 10.851 3.575 1.00 3.92 C ATOM 154 HA LYS A 12 -56.961 11.267 4.274 1.00 3.92 H ATOM 155 C LYS A 12 -56.975 9.952 2.599 1.00 3.92 C ATOM 156 O LYS A 12 -56.483 8.882 2.266 1.00 3.92 O ATOM 157 CB LYS A 12 -55.532 11.995 2.833 1.00 3.92 C ATOM 158 1HB LYS A 12 -54.921 11.563 2.040 1.00 3.92 H ATOM 159 2HB LYS A 12 -56.293 12.624 2.370 1.00 3.92 H ATOM 160 CG LYS A 12 -54.621 12.882 3.700 1.00 3.92 C ATOM 161 1HG LYS A 12 -53.816 12.269 4.103 1.00 3.92 H ATOM 162 2HG LYS A 12 -54.180 13.647 3.060 1.00 3.92 H ATOM 163 CD LYS A 12 -55.349 13.573 4.860 1.00 3.92 C ATOM 164 1HD LYS A 12 -56.199 14.128 4.463 1.00 3.92 H ATOM 165 2HD LYS A 12 -55.717 12.822 5.559 1.00 3.92 H ATOM 166 CE LYS A 12 -54.437 14.539 5.620 1.00 3.92 C ATOM 167 1HE LYS A 12 -54.106 15.324 4.937 1.00 3.92 H ATOM 168 2HE LYS A 12 -55.019 15.001 6.421 1.00 3.92 H ATOM 169 NZ LYS A 12 -53.230 13.865 6.218 1.00 3.92 N ATOM 170 1HZ LYS A 12 -52.714 14.512 6.798 1.00 3.92 H ATOM 171 2HZ LYS A 12 -52.625 13.518 5.487 1.00 3.92 H ATOM 172 3HZ LYS A 12 -53.520 13.071 6.788 1.00 3.92 H ATOM 173 N CYS A 13 -58.148 10.375 2.164 1.00 -2.00 N ATOM 174 H CYS A 13 -58.505 11.272 2.446 1.00 -2.00 H ATOM 175 CA CYS A 13 -58.971 9.553 1.287 1.00 -2.00 C ATOM 176 HA CYS A 13 -59.102 8.578 1.753 1.00 -2.00 H ATOM 177 C CYS A 13 -58.431 9.368 -0.127 1.00 -2.00 C ATOM 178 O CYS A 13 -57.810 10.285 -0.684 1.00 -2.00 O ATOM 179 CB CYS A 13 -60.329 10.226 1.144 1.00 -2.00 C ATOM 180 1HB CYS A 13 -60.184 11.233 0.754 1.00 -2.00 H ATOM 181 2HB CYS A 13 -60.931 9.662 0.433 1.00 -2.00 H ATOM 182 SG CYS A 13 -61.215 10.310 2.720 1.00 -2.00 S ATOM 183 N PRO A 14 -58.764 8.230 -0.770 1.00 -8.19 N ATOM 184 CA PRO A 14 -58.446 8.182 -2.200 1.00 -8.19 C ATOM 185 HA PRO A 14 -57.385 8.368 -2.370 1.00 -8.19 H ATOM 186 C PRO A 14 -59.286 9.206 -2.957 1.00 -8.19 C ATOM 187 O PRO A 14 -60.354 9.616 -2.494 1.00 -8.19 O ATOM 188 CB PRO A 14 -58.808 6.746 -2.585 1.00 -8.19 C ATOM 189 1HB PRO A 14 -59.141 6.691 -3.622 1.00 -8.19 H ATOM 190 2HB PRO A 14 -57.954 6.088 -2.422 1.00 -8.19 H ATOM 191 CG PRO A 14 -59.908 6.394 -1.652 1.00 -8.19 C ATOM 192 1HG PRO A 14 -60.843 6.844 -1.991 1.00 -8.19 H ATOM 193 2HG PRO A 14 -60.013 5.313 -1.562 1.00 -8.19 H ATOM 194 CD PRO A 14 -59.476 7.006 -0.346 1.00 -8.19 C ATOM 195 1HD PRO A 14 -60.345 7.243 0.268 1.00 -8.19 H ATOM 196 2HD PRO A 14 -58.794 6.340 0.185 1.00 -8.19 H ATOM 197 N ASN A 15 -58.760 9.652 -4.092 1.00-11.64 N ATOM 198 H ASN A 15 -57.876 9.268 -4.396 1.00-11.64 H ATOM 199 CA ASN A 15 -59.372 10.669 -4.961 1.00-11.64 C ATOM 200 HA ASN A 15 -58.662 10.875 -5.762 1.00-11.64 H ATOM 201 C ASN A 15 -59.641 11.996 -4.242 1.00-11.64 C ATOM 202 O ASN A 15 -60.474 12.788 -4.680 1.00-11.64 O ATOM 203 CB ASN A 15 -60.657 10.143 -5.625 1.00-11.64 C ATOM 204 1HB ASN A 15 -61.405 9.945 -4.860 1.00-11.64 H ATOM 205 2HB ASN A 15 -61.047 10.905 -6.299 1.00-11.64 H ATOM 206 CG ASN A 15 -60.428 8.884 -6.421 1.00-11.64 C ATOM 207 OD1 ASN A 15 -59.322 8.584 -6.841 1.00-11.64 O ATOM 208 ND2 ASN A 15 -61.469 8.124 -6.625 1.00-11.64 N ATOM 209 1HD2 ASN A 15 -61.345 7.282 -7.161 1.00-11.64 H ATOM 210 2HD2 ASN A 15 -62.367 8.389 -6.263 1.00-11.64 H ATOM 211 N CYS A 16 -58.949 12.210 -3.126 1.00 26.65 N ATOM 212 H CYS A 16 -58.303 11.501 -2.808 1.00 26.65 H ATOM 213 CA CYS A 16 -59.122 13.381 -2.267 1.00 26.65 C ATOM 214 HA CYS A 16 -58.536 13.214 -1.362 1.00 26.65 H ATOM 215 C CYS A 16 -60.570 13.600 -1.822 1.00 26.65 C ATOM 216 O CYS A 16 -60.998 14.738 -1.662 1.00 26.65 O ATOM 217 CB CYS A 16 -58.565 14.639 -2.943 1.00 26.65 C ATOM 218 1HB CYS A 16 -59.146 14.841 -3.843 1.00 26.65 H ATOM 219 2HB CYS A 16 -58.689 15.482 -2.264 1.00 26.65 H ATOM 220 SG CYS A 16 -56.816 14.501 -3.383 1.00 26.65 S ATOM 221 HG CYS A 16 -56.967 13.552 -4.313 1.00 26.65 H ATOM 222 N LEU A 17 -61.318 12.525 -1.610 1.00 12.25 N ATOM 223 H LEU A 17 -60.934 11.603 -1.779 1.00 12.25 H ATOM 224 CA LEU A 17 -62.677 12.646 -1.080 1.00 12.25 C ATOM 225 HA LEU A 17 -63.271 13.286 -1.730 1.00 12.25 H ATOM 226 C LEU A 17 -62.617 13.297 0.298 1.00 12.25 C ATOM 227 O LEU A 17 -61.587 13.257 0.978 1.00 12.25 O ATOM 228 CB LEU A 17 -63.350 11.274 -0.959 1.00 12.25 C ATOM 229 1HB LEU A 17 -62.696 10.640 -0.371 1.00 12.25 H ATOM 230 2HB LEU A 17 -64.271 11.401 -0.391 1.00 12.25 H ATOM 231 CG LEU A 17 -63.710 10.520 -2.246 1.00 12.25 C ATOM 232 HG LEU A 17 -62.832 10.466 -2.885 1.00 12.25 H ATOM 233 CD1 LEU A 17 -64.133 9.095 -1.887 1.00 12.25 C ATOM 234 1HD1 LEU A 17 -64.383 8.551 -2.798 1.00 12.25 H ATOM 235 2HD1 LEU A 17 -64.999 9.112 -1.226 1.00 12.25 H ATOM 236 3HD1 LEU A 17 -63.304 8.583 -1.397 1.00 12.25 H ATOM 237 CD2 LEU A 17 -64.832 11.217 -3.016 1.00 12.25 C ATOM 238 1HD2 LEU A 17 -65.097 10.627 -3.893 1.00 12.25 H ATOM 239 2HD2 LEU A 17 -64.493 12.196 -3.353 1.00 12.25 H ATOM 240 3HD2 LEU A 17 -65.711 11.338 -2.382 1.00 12.25 H ATOM 241 N CYS A 18 -63.729 13.887 0.705 1.00 -7.65 N ATOM 242 H CYS A 18 -64.568 13.842 0.149 1.00 -7.65 H ATOM 243 CA CYS A 18 -63.799 14.549 1.994 1.00 -7.65 C ATOM 244 HA CYS A 18 -63.026 15.306 2.065 1.00 -7.65 H ATOM 245 C CYS A 18 -63.620 13.505 3.076 1.00 -7.65 C ATOM 246 O CYS A 18 -64.171 12.410 2.962 1.00 -7.65 O ATOM 247 CB CYS A 18 -65.163 15.183 2.188 1.00 -7.65 C ATOM 248 1HB CYS A 18 -65.899 14.382 2.229 1.00 -7.65 H ATOM 249 2HB CYS A 18 -65.162 15.691 3.149 1.00 -7.65 H ATOM 250 SG CYS A 18 -65.692 16.350 0.902 1.00 -7.65 S ATOM 251 N CYS A 19 -62.890 13.844 4.123 1.00-12.89 N ATOM 252 H CYS A 19 -62.499 14.783 4.180 1.00-12.89 H ATOM 253 CA CYS A 19 -62.624 12.935 5.226 1.00-12.89 C ATOM 254 HA CYS A 19 -63.055 11.952 5.038 1.00-12.89 H ATOM 255 C CYS A 19 -63.238 13.527 6.479 1.00-12.89 C ATOM 256 O CYS A 19 -62.794 14.578 6.948 1.00-12.89 O ATOM 257 CB CYS A 19 -61.117 12.808 5.421 1.00-12.89 C ATOM 258 1HB CYS A 19 -60.673 12.399 4.516 1.00-12.89 H ATOM 259 2HB CYS A 19 -60.720 13.805 5.583 1.00-12.89 H ATOM 260 SG CYS A 19 -60.667 11.771 6.846 1.00-12.89 S ATOM 261 N GLY A 20 -64.242 12.863 7.024 1.00 -2.32 N ATOM 262 H GLY A 20 -64.544 11.984 6.611 1.00 -2.32 H ATOM 263 CA GLY A 20 -64.889 13.353 8.226 1.00 -2.32 C ATOM 264 1HA GLY A 20 -65.020 14.430 8.149 1.00 -2.32 H ATOM 265 2HA GLY A 20 -65.873 12.895 8.318 1.00 -2.32 H ATOM 266 C GLY A 20 -64.086 13.039 9.469 1.00 -2.32 C ATOM 267 O GLY A 20 -63.241 12.149 9.464 1.00 -2.32 O ATOM 268 N LYS A 21 -64.417 13.694 10.575 1.00 -3.82 N ATOM 269 H LYS A 21 -65.141 14.413 10.512 1.00 -3.82 H ATOM 270 CA LYS A 21 -63.790 13.447 11.886 1.00 -3.82 C ATOM 271 HA LYS A 21 -62.708 13.481 11.773 1.00 -3.82 H ATOM 272 C LYS A 21 -64.121 12.074 12.440 1.00 -3.82 C ATOM 273 O LYS A 21 -63.498 11.577 13.364 1.00 -3.82 O ATOM 274 CB LYS A 21 -64.219 14.533 12.878 1.00 -3.82 C ATOM 275 1HB LYS A 21 -63.609 14.445 13.777 1.00 -3.82 H ATOM 276 2HB LYS A 21 -64.019 15.506 12.426 1.00 -3.82 H ATOM 277 CG LYS A 21 -65.692 14.468 13.288 1.00 -3.82 C ATOM 278 1HG LYS A 21 -66.317 14.416 12.399 1.00 -3.82 H ATOM 279 2HG LYS A 21 -65.863 13.574 13.887 1.00 -3.82 H ATOM 280 CD LYS A 21 -66.094 15.686 14.091 1.00 -3.82 C ATOM 281 1HD LYS A 21 -65.474 15.749 14.986 1.00 -3.82 H ATOM 282 2HD LYS A 21 -65.938 16.577 13.482 1.00 -3.82 H ATOM 283 CE LYS A 21 -67.561 15.597 14.488 1.00 -3.82 C ATOM 284 1HE LYS A 21 -68.162 15.473 13.584 1.00 -3.82 H ATOM 285 2HE LYS A 21 -67.709 14.726 15.130 1.00 -3.82 H ATOM 286 NZ LYS A 21 -67.998 16.842 15.202 1.00 -3.82 N ATOM 287 1HZ LYS A 21 -68.978 16.783 15.440 1.00 -3.82 H ATOM 288 2HZ LYS A 21 -67.859 17.643 14.587 1.00 -3.82 H ATOM 289 3HZ LYS A 21 -67.451 16.975 16.040 1.00 -3.82 H ATOM 290 N TYR A 22 -65.101 11.453 11.808 1.00 2.04 N ATOM 291 H TYR A 22 -65.592 11.950 11.085 1.00 2.04 H ATOM 292 CA TYR A 22 -65.506 10.086 12.089 1.00 2.04 C ATOM 293 HA TYR A 22 -65.601 9.957 13.167 1.00 2.04 H ATOM 294 C TYR A 22 -64.468 9.100 11.554 1.00 2.04 C ATOM 295 O TYR A 22 -64.514 7.913 11.853 1.00 2.04 O ATOM 296 CB TYR A 22 -66.864 9.862 11.422 1.00 2.04 C ATOM 297 1HB TYR A 22 -66.731 9.863 10.340 1.00 2.04 H ATOM 298 2HB TYR A 22 -67.261 8.893 11.726 1.00 2.04 H ATOM 299 CG TYR A 22 -67.847 10.958 11.788 1.00 2.04 C ATOM 300 CD1 TYR A 22 -68.077 12.052 10.919 1.00 2.04 C ATOM 301 HD1 TYR A 22 -67.608 12.084 9.945 1.00 2.04 H ATOM 302 CD2 TYR A 22 -68.522 10.934 13.026 1.00 2.04 C ATOM 303 HD2 TYR A 22 -68.375 10.101 13.700 1.00 2.04 H ATOM 304 CE1 TYR A 22 -68.918 13.126 11.312 1.00 2.04 C ATOM 305 HE1 TYR A 22 -69.069 13.966 10.650 1.00 2.04 H ATOM 306 CE2 TYR A 22 -69.386 11.998 13.407 1.00 2.04 C ATOM 307 HE2 TYR A 22 -69.901 11.962 14.355 1.00 2.04 H ATOM 308 CZ TYR A 22 -69.565 13.087 12.547 1.00 2.04 C ATOM 309 OH TYR A 22 -70.379 14.125 12.924 1.00 2.04 O ATOM 310 HH TYR A 22 -70.900 13.919 13.703 1.00 2.04 H ATOM 311 N GLY A 23 -63.534 9.603 10.756 1.00-15.56 N ATOM 312 H GLY A 23 -63.516 10.595 10.542 1.00-15.56 H ATOM 313 CA GLY A 23 -62.485 8.780 10.187 1.00-15.56 C ATOM 314 1HA GLY A 23 -61.633 9.416 9.948 1.00-15.56 H ATOM 315 2HA GLY A 23 -62.173 8.050 10.921 1.00-15.56 H ATOM 316 C GLY A 23 -62.904 8.052 8.930 1.00-15.56 C ATOM 317 O GLY A 23 -62.354 7.004 8.594 1.00-15.56 O ATOM 318 N PHE A 24 -63.891 8.592 8.233 1.00-11.87 N ATOM 319 H PHE A 24 -64.297 9.462 8.534 1.00-11.87 H ATOM 320 CA PHE A 24 -64.390 7.976 7.008 1.00-11.87 C ATOM 321 HA PHE A 24 -63.673 7.231 6.677 1.00-11.87 H ATOM 322 C PHE A 24 -64.545 8.975 5.874 1.00-11.87 C ATOM 323 O PHE A 24 -64.782 10.161 6.092 1.00-11.87 O ATOM 324 CB PHE A 24 -65.718 7.265 7.267 1.00-11.87 C ATOM 325 1HB PHE A 24 -66.423 7.972 7.701 1.00-11.87 H ATOM 326 2HB PHE A 24 -66.118 6.923 6.314 1.00-11.87 H ATOM 327 CG PHE A 24 -65.585 6.069 8.168 1.00-11.87 C ATOM 328 CD1 PHE A 24 -65.855 6.174 9.542 1.00-11.87 C ATOM 329 HD1 PHE A 24 -66.185 7.115 9.957 1.00-11.87 H ATOM 330 CD2 PHE A 24 -65.164 4.833 7.645 1.00-11.87 C ATOM 331 HD2 PHE A 24 -64.948 4.740 6.592 1.00-11.87 H ATOM 332 CE1 PHE A 24 -65.686 5.062 10.402 1.00-11.87 C ATOM 333 HE1 PHE A 24 -65.876 5.167 11.461 1.00-11.87 H ATOM 334 CE2 PHE A 24 -65.009 3.703 8.487 1.00-11.87 C ATOM 335 HE2 PHE A 24 -64.694 2.758 8.072 1.00-11.87 H ATOM 336 CZ PHE A 24 -65.260 3.823 9.874 1.00-11.87 C ATOM 337 HZ PHE A 24 -65.138 2.971 10.526 1.00-11.87 H ATOM 338 N CYS A 25 -64.384 8.458 4.666 1.00-13.10 N ATOM 339 H CYS A 25 -64.118 7.484 4.600 1.00-13.10 H ATOM 340 CA CYS A 25 -64.495 9.229 3.435 1.00-13.10 C ATOM 341 HA CYS A 25 -64.131 10.229 3.634 1.00-13.10 H ATOM 342 C CYS A 25 -65.889 9.309 2.825 1.00-13.10 C ATOM 343 O CYS A 25 -66.653 8.339 2.876 1.00-13.10 O ATOM 344 CB CYS A 25 -63.613 8.576 2.373 1.00-13.10 C ATOM 345 1HB CYS A 25 -64.005 7.586 2.149 1.00-13.10 H ATOM 346 2HB CYS A 25 -63.639 9.180 1.466 1.00-13.10 H ATOM 347 SG CYS A 25 -61.896 8.414 2.929 1.00-13.10 S ATOM 348 N GLY A 26 -66.154 10.388 2.102 1.00 -3.87 N ATOM 349 H GLY A 26 -65.511 11.185 2.119 1.00 -3.87 H ATOM 350 CA GLY A 26 -67.338 10.472 1.265 1.00 -3.87 C ATOM 351 1HA GLY A 26 -67.300 9.689 0.509 1.00 -3.87 H ATOM 352 2HA GLY A 26 -68.224 10.326 1.880 1.00 -3.87 H ATOM 353 C GLY A 26 -67.424 11.818 0.576 1.00 -3.87 C ATOM 354 O GLY A 26 -66.477 12.586 0.625 1.00 -3.87 O ATOM 355 N SER A 27 -68.541 12.103 -0.078 1.00 14.95 N ATOM 356 H SER A 27 -69.273 11.414 -0.157 1.00 14.95 H ATOM 357 CA SER A 27 -68.750 13.380 -0.771 1.00 14.95 C ATOM 358 HA SER A 27 -67.824 13.954 -0.812 1.00 14.95 H ATOM 359 C SER A 27 -69.824 14.246 -0.107 1.00 14.95 C ATOM 360 O SER A 27 -70.096 15.368 -0.535 1.00 14.95 O ATOM 361 CB SER A 27 -69.196 13.052 -2.191 1.00 14.95 C ATOM 362 1HB SER A 27 -69.480 13.967 -2.713 1.00 14.95 H ATOM 363 2HB SER A 27 -68.375 12.569 -2.721 1.00 14.95 H ATOM 364 OG SER A 27 -70.291 12.152 -2.122 1.00 14.95 O ATOM 365 HG SER A 27 -70.682 12.078 -3.000 1.00 14.95 H ATOM 366 N GLY A 28 -70.460 13.705 0.924 1.00-12.90 N ATOM 367 H GLY A 28 -70.189 12.796 1.247 1.00-12.90 H ATOM 368 CA GLY A 28 -71.529 14.411 1.612 1.00-12.90 C ATOM 369 1HA GLY A 28 -72.032 15.079 0.912 1.00-12.90 H ATOM 370 2HA GLY A 28 -72.257 13.692 1.986 1.00-12.90 H ATOM 371 C GLY A 28 -71.006 15.226 2.776 1.00-12.90 C ATOM 372 O GLY A 28 -69.895 15.012 3.248 1.00-12.90 O ATOM 373 N ASP A 29 -71.809 16.149 3.279 1.00 -7.17 N ATOM 374 H ASP A 29 -72.729 16.295 2.878 1.00 -7.17 H ATOM 375 CA ASP A 29 -71.379 17.084 4.323 1.00 -7.17 C ATOM 376 HA ASP A 29 -70.436 17.526 4.005 1.00 -7.17 H ATOM 377 C ASP A 29 -71.129 16.475 5.697 1.00 -7.17 C ATOM 378 O ASP A 29 -70.476 17.087 6.530 1.00 -7.17 O ATOM 379 CB ASP A 29 -72.381 18.227 4.421 1.00 -7.17 C ATOM 380 1HB ASP A 29 -73.382 17.816 4.559 1.00 -7.17 H ATOM 381 2HB ASP A 29 -72.132 18.849 5.280 1.00 -7.17 H ATOM 382 CG ASP A 29 -72.356 19.083 3.182 1.00 -7.17 C ATOM 383 OD1 ASP A 29 -71.622 20.088 3.165 1.00 -7.17 O ATOM 384 OD2 ASP A 29 -72.933 18.663 2.157 1.00 -7.17 O ATOM 385 N ALA A 30 -71.506 15.219 5.892 1.00 17.72 N ATOM 386 H ALA A 30 -72.064 14.759 5.193 1.00 17.72 H ATOM 387 CA ALA A 30 -71.073 14.462 7.068 1.00 17.72 C ATOM 388 HA ALA A 30 -71.367 15.002 7.970 1.00 17.72 H ATOM 389 C ALA A 30 -69.544 14.305 7.080 1.00 17.72 C ATOM 390 O ALA A 30 -68.933 14.102 8.124 1.00 17.72 O ATOM 391 CB ALA A 30 -71.750 13.085 7.068 1.00 17.72 C ATOM 392 1HB ALA A 30 -72.834 13.203 7.086 1.00 17.72 H ATOM 393 2HB ALA A 30 -71.440 12.532 7.958 1.00 17.72 H ATOM 394 3HB ALA A 30 -71.454 12.520 6.182 1.00 17.72 H ATOM 395 N TYR A 31 -68.945 14.404 5.902 1.00 16.27 N ATOM 396 H TYR A 31 -69.508 14.554 5.077 1.00 16.27 H ATOM 397 CA TYR A 31 -67.504 14.294 5.733 1.00 16.27 C ATOM 398 HA TYR A 31 -67.061 13.976 6.672 1.00 16.27 H ATOM 399 C TYR A 31 -66.862 15.613 5.312 1.00 16.27 C ATOM 400 O TYR A 31 -65.722 15.885 5.655 1.00 16.27 O ATOM 401 CB TYR A 31 -67.221 13.229 4.673 1.00 16.27 C ATOM 402 1HB TYR A 31 -67.462 13.639 3.693 1.00 16.27 H ATOM 403 2HB TYR A 31 -66.161 12.980 4.694 1.00 16.27 H ATOM 404 CG TYR A 31 -68.043 11.973 4.864 1.00 16.27 C ATOM 405 CD1 TYR A 31 -69.154 11.710 4.035 1.00 16.27 C ATOM 406 HD1 TYR A 31 -69.423 12.425 3.273 1.00 16.27 H ATOM 407 CD2 TYR A 31 -67.731 11.050 5.879 1.00 16.27 C ATOM 408 HD2 TYR A 31 -66.912 11.253 6.552 1.00 16.27 H ATOM 409 CE1 TYR A 31 -69.917 10.522 4.194 1.00 16.27 C ATOM 410 HE1 TYR A 31 -70.762 10.325 3.554 1.00 16.27 H ATOM 411 CE2 TYR A 31 -68.482 9.857 6.035 1.00 16.27 C ATOM 412 HE2 TYR A 31 -68.229 9.150 6.810 1.00 16.27 H ATOM 413 CZ TYR A 31 -69.558 9.601 5.186 1.00 16.27 C ATOM 414 OH TYR A 31 -70.271 8.439 5.338 1.00 16.27 O ATOM 415 HH TYR A 31 -71.031 8.388 4.756 1.00 16.27 H ATOM 416 N CYS A 32 -67.584 16.422 4.544 1.00 17.66 N ATOM 417 H CYS A 32 -68.506 16.131 4.249 1.00 17.66 H ATOM 418 CA CYS A 32 -67.039 17.676 4.014 1.00 17.66 C ATOM 419 HA CYS A 32 -65.960 17.566 3.902 1.00 17.66 H ATOM 420 C CYS A 32 -67.305 18.941 4.834 1.00 17.66 C ATOM 421 O CYS A 32 -66.699 19.987 4.580 1.00 17.66 O ATOM 422 CB CYS A 32 -67.644 17.949 2.633 1.00 17.66 C ATOM 423 1HB CYS A 32 -68.681 18.254 2.778 1.00 17.66 H ATOM 424 2HB CYS A 32 -67.109 18.792 2.202 1.00 17.66 H ATOM 425 SG CYS A 32 -67.638 16.607 1.402 1.00 17.66 S ATOM 426 N GLY A 33 -68.291 18.899 5.717 1.00 -0.46 N ATOM 427 H GLY A 33 -68.714 18.018 5.984 1.00 -0.46 H ATOM 428 CA GLY A 33 -68.857 20.122 6.265 1.00 -0.46 C ATOM 429 1HA GLY A 33 -68.915 20.861 5.466 1.00 -0.46 H ATOM 430 2HA GLY A 33 -69.875 19.910 6.593 1.00 -0.46 H ATOM 431 C GLY A 33 -68.115 20.743 7.431 1.00 -0.46 C ATOM 432 O GLY A 33 -67.276 20.119 8.083 1.00 -0.46 O ATOM 433 N ALA A 34 -68.431 21.996 7.723 1.00 -9.64 N ATOM 434 H ALA A 34 -69.130 22.477 7.181 1.00 -9.64 H ATOM 435 CA ALA A 34 -67.809 22.682 8.848 1.00 -9.64 C ATOM 436 HA ALA A 34 -66.726 22.643 8.728 1.00 -9.64 H ATOM 437 C ALA A 34 -68.196 21.941 10.134 1.00 -9.64 C ATOM 438 O ALA A 34 -69.359 21.623 10.352 1.00 -9.64 O ATOM 439 CB ALA A 34 -68.264 24.146 8.894 1.00 -9.64 C ATOM 440 1HB ALA A 34 -67.986 24.652 7.968 1.00 -9.64 H ATOM 441 2HB ALA A 34 -67.786 24.653 9.733 1.00 -9.64 H ATOM 442 3HB ALA A 34 -69.348 24.193 9.024 1.00 -9.64 H ATOM 443 N GLY A 35 -67.210 21.629 10.962 1.00-12.28 N ATOM 444 H GLY A 35 -66.260 21.865 10.720 1.00-12.28 H ATOM 445 CA GLY A 35 -67.464 20.935 12.215 1.00-12.28 C ATOM 446 1HA GLY A 35 -66.643 21.150 12.898 1.00-12.28 H ATOM 447 2HA GLY A 35 -68.378 21.334 12.655 1.00-12.28 H ATOM 448 C GLY A 35 -67.614 19.427 12.126 1.00-12.28 C ATOM 449 O GLY A 35 -67.525 18.757 13.156 1.00-12.28 O ATOM 450 N SER A 36 -67.816 18.872 10.938 1.00 9.43 N ATOM 451 H SER A 36 -67.930 19.463 10.121 1.00 9.43 H ATOM 452 CA SER A 36 -67.916 17.421 10.749 1.00 9.43 C ATOM 453 HA SER A 36 -67.985 16.919 11.710 1.00 9.43 H ATOM 454 C SER A 36 -66.694 16.874 10.015 1.00 9.43 C ATOM 455 O SER A 36 -66.335 15.710 10.168 1.00 9.43 O ATOM 456 CB SER A 36 -69.172 17.116 9.939 1.00 9.43 C ATOM 457 1HB SER A 36 -69.227 16.048 9.732 1.00 9.43 H ATOM 458 2HB SER A 36 -70.051 17.424 10.505 1.00 9.43 H ATOM 459 OG SER A 36 -69.120 17.852 8.734 1.00 9.43 O ATOM 460 HG SER A 36 -69.774 17.495 8.108 1.00 9.43 H ATOM 461 N CYS A 37 -66.045 17.728 9.242 1.00 25.55 N ATOM 462 H CYS A 37 -66.425 18.658 9.116 1.00 25.55 H ATOM 463 CA CYS A 37 -64.827 17.401 8.509 1.00 25.55 C ATOM 464 HA CYS A 37 -64.966 16.474 7.958 1.00 25.55 H ATOM 465 C CYS A 37 -63.580 17.289 9.390 1.00 25.55 C ATOM 466 O CYS A 37 -63.477 17.974 10.405 1.00 25.55 O ATOM 467 CB CYS A 37 -64.592 18.537 7.517 1.00 25.55 C ATOM 468 1HB CYS A 37 -65.501 18.690 6.939 1.00 25.55 H ATOM 469 2HB CYS A 37 -64.385 19.445 8.083 1.00 25.55 H ATOM 470 SG CYS A 37 -63.225 18.253 6.362 1.00 25.55 S ATOM 471 N GLN A 38 -62.609 16.500 8.946 1.00 23.45 N ATOM 472 H GLN A 38 -62.804 15.895 8.149 1.00 23.45 H ATOM 473 CA GLN A 38 -61.241 16.512 9.472 1.00 23.45 C ATOM 474 HA GLN A 38 -61.178 17.265 10.257 1.00 23.45 H ATOM 475 C GLN A 38 -60.220 16.895 8.388 1.00 23.45 C ATOM 476 O GLN A 38 -59.234 17.564 8.686 1.00 23.45 O ATOM 477 CB GLN A 38 -60.907 15.150 10.090 1.00 23.45 C ATOM 478 1HB GLN A 38 -61.717 14.907 10.761 1.00 23.45 H ATOM 479 2HB GLN A 38 -60.863 14.394 9.306 1.00 23.45 H ATOM 480 CG GLN A 38 -59.613 15.113 10.901 1.00 23.45 C ATOM 481 1HG GLN A 38 -58.764 15.207 10.225 1.00 23.45 H ATOM 482 2HG GLN A 38 -59.607 15.966 11.579 1.00 23.45 H ATOM 483 CD GLN A 38 -59.447 13.849 11.732 1.00 23.45 C ATOM 484 OE1 GLN A 38 -59.721 12.739 11.292 1.00 23.45 O ATOM 485 NE2 GLN A 38 -58.968 14.014 12.935 1.00 23.45 N ATOM 486 1HE2 GLN A 38 -58.781 13.200 13.525 1.00 23.45 H ATOM 487 2HE2 GLN A 38 -58.770 14.932 13.284 1.00 23.45 H ATOM 488 N SER A 39 -60.441 16.529 7.129 1.00 2.22 N ATOM 489 H SER A 39 -61.246 15.952 6.889 1.00 2.22 H ATOM 490 CA SER A 39 -59.598 17.018 6.028 1.00 2.22 C ATOM 491 HA SER A 39 -59.340 18.059 6.225 1.00 2.22 H ATOM 492 C SER A 39 -60.373 16.964 4.711 1.00 2.22 C ATOM 493 O SER A 39 -61.371 16.257 4.634 1.00 2.22 O ATOM 494 CB SER A 39 -58.294 16.216 5.928 1.00 2.22 C ATOM 495 1HB SER A 39 -57.681 16.622 5.124 1.00 2.22 H ATOM 496 2HB SER A 39 -57.749 16.319 6.868 1.00 2.22 H ATOM 497 OG SER A 39 -58.522 14.840 5.694 1.00 2.22 O ATOM 498 HG SER A 39 -59.114 14.517 6.382 1.00 2.22 H ATOM 499 N GLN A 40 -59.919 17.711 3.704 1.00 12.50 N ATOM 500 H GLN A 40 -59.069 18.231 3.838 1.00 12.50 H ATOM 501 CA GLN A 40 -60.614 17.854 2.409 1.00 12.50 C ATOM 502 HA GLN A 40 -60.094 18.613 1.826 1.00 12.50 H ATOM 503 C GLN A 40 -62.045 18.378 2.601 1.00 12.50 C ATOM 504 O GLN A 40 -63.017 17.845 2.089 1.00 12.50 O ATOM 505 CB GLN A 40 -60.585 16.554 1.582 1.00 12.50 C ATOM 506 1HB GLN A 40 -61.011 15.753 2.178 1.00 12.50 H ATOM 507 2HB GLN A 40 -61.211 16.680 0.701 1.00 12.50 H ATOM 508 CG GLN A 40 -59.208 16.100 1.106 1.00 12.50 C ATOM 509 1HG GLN A 40 -58.533 16.039 1.958 1.00 12.50 H ATOM 510 2HG GLN A 40 -59.307 15.102 0.680 1.00 12.50 H ATOM 511 CD GLN A 40 -58.599 17.007 0.047 1.00 12.50 C ATOM 512 OE1 GLN A 40 -59.254 17.843 -0.564 1.00 12.50 O ATOM 513 NE2 GLN A 40 -57.319 16.855 -0.172 1.00 12.50 N ATOM 514 1HE2 GLN A 40 -56.882 17.449 -0.859 1.00 12.50 H ATOM 515 2HE2 GLN A 40 -56.797 16.154 0.319 1.00 12.50 H ATOM 516 N CYS A 41 -62.157 19.446 3.373 1.00 -1.58 N ATOM 517 H CYS A 41 -61.335 19.852 3.779 1.00 -1.58 H ATOM 518 CA CYS A 41 -63.446 20.072 3.653 1.00 -1.58 C ATOM 519 HA CYS A 41 -64.191 19.295 3.833 1.00 -1.58 H ATOM 520 C CYS A 41 -63.918 20.972 2.515 1.00 -1.58 C ATOM 521 O CYS A 41 -63.135 21.284 1.609 1.00 -1.58 O ATOM 522 CB CYS A 41 -63.293 20.921 4.916 1.00 -1.58 C ATOM 523 1HB CYS A 41 -62.769 21.842 4.657 1.00 -1.58 H ATOM 524 2HB CYS A 41 -64.282 21.178 5.298 1.00 -1.58 H ATOM 525 SG CYS A 41 -62.339 20.071 6.214 1.00 -1.58 S ATOM 526 N ARG A 42 -65.144 21.480 2.611 1.00 -9.68 N ATOM 527 H ARG A 42 -65.743 21.174 3.377 1.00 -9.68 H ATOM 528 CA ARG A 42 -65.672 22.477 1.665 1.00 -9.68 C ATOM 529 HA ARG A 42 -65.430 22.131 0.662 1.00 -9.68 H ATOM 530 C ARG A 42 -65.084 23.886 1.779 1.00 -9.68 C ATOM 531 O ARG A 42 -65.783 24.853 2.047 1.00 -9.68 O ATOM 532 CB ARG A 42 -67.201 22.591 1.730 1.00 -9.68 C ATOM 533 1HB ARG A 42 -67.505 22.953 2.713 1.00 -9.68 H ATOM 534 2HB ARG A 42 -67.511 23.324 0.984 1.00 -9.68 H ATOM 535 CG ARG A 42 -67.933 21.306 1.434 1.00 -9.68 C ATOM 536 1HG ARG A 42 -67.319 20.678 0.790 1.00 -9.68 H ATOM 537 2HG ARG A 42 -68.117 20.793 2.375 1.00 -9.68 H ATOM 538 CD ARG A 42 -69.260 21.556 0.737 1.00 -9.68 C ATOM 539 1HD ARG A 42 -69.782 22.361 1.256 1.00 -9.68 H ATOM 540 2HD ARG A 42 -69.077 21.864 -0.294 1.00 -9.68 H ATOM 541 NE ARG A 42 -70.106 20.355 0.772 1.00 -9.68 N ATOM 542 HE ARG A 42 -70.790 20.316 1.531 1.00 -9.68 H ATOM 543 CZ ARG A 42 -70.065 19.319 -0.054 1.00 -9.68 C ATOM 544 NH1 ARG A 42 -70.878 18.327 0.168 1.00 -9.68 N ATOM 545 1HH1 ARG A 42 -71.612 18.436 0.871 1.00 -9.68 H ATOM 546 2HH1 ARG A 42 -70.788 17.467 -0.351 1.00 -9.68 H ATOM 547 NH2 ARG A 42 -69.250 19.204 -1.069 1.00 -9.68 N ATOM 548 1HH2 ARG A 42 -68.621 19.976 -1.319 1.00 -9.68 H ATOM 549 2HH2 ARG A 42 -69.254 18.377 -1.626 1.00 -9.68 H ATOM 550 N GLY A 43 -63.778 23.985 1.587 1.00 -4.00 N ATOM 551 H GLY A 43 -63.234 23.131 1.554 1.00 -4.00 H ATOM 552 CA GLY A 43 -63.128 25.264 1.345 1.00 -4.00 C ATOM 553 1HA GLY A 43 -63.790 26.087 1.617 1.00 -4.00 H ATOM 554 2HA GLY A 43 -62.213 25.330 1.932 1.00 -4.00 H ATOM 555 C GLY A 43 -62.778 25.377 -0.126 1.00 -4.00 C ATOM 556 O GLY A 43 -62.542 26.461 -0.646 1.00 -4.00 O ATOM 557 N CYS A 44 -62.727 24.230 -0.793 1.00 -5.91 N ATOM 558 H CYS A 44 -62.923 23.369 -0.310 1.00 -5.91 H ATOM 559 CA CYS A 44 -62.384 24.141 -2.214 1.00 -5.91 C ATOM 560 HA CYS A 44 -62.648 25.072 -2.717 1.00 -5.91 H ATOM 561 C CYS A 44 -63.158 22.986 -2.848 1.00 -5.91 C ATOM 562 O CYS A 44 -62.705 22.378 -3.817 1.00 -5.91 O ATOM 563 CB CYS A 44 -60.883 23.867 -2.381 1.00 -5.91 C ATOM 564 1HB CYS A 44 -60.668 22.867 -2.003 1.00 -5.91 H ATOM 565 2HB CYS A 44 -60.651 23.876 -3.447 1.00 -5.91 H ATOM 566 SG CYS A 44 -59.792 25.044 -1.536 1.00 -5.91 S ATOM 567 HG CYS A 44 -60.671 26.063 -1.521 1.00 -5.91 H ATOM 568 N ARG A 45 -64.249 22.598 -2.199 1.00 -6.18 N ATOM 569 H ARG A 45 -64.687 23.211 -1.516 1.00 -6.18 H ATOM 570 CA ARG A 45 -64.986 21.364 -2.473 1.00 -6.18 C ATOM 571 HA ARG A 45 -64.953 21.111 -3.532 1.00 -6.18 H ATOM 572 C ARG A 45 -66.386 21.753 -2.056 1.00 -6.18 C ATOM 573 O ARG A 45 -66.433 22.854 -1.469 1.00 -6.18 O ATOM 574 OXT ARG A 45 -67.353 20.985 -2.200 1.00 -6.18 O ATOM 575 CB ARG A 45 -64.524 20.185 -1.605 1.00 -6.18 C ATOM 576 1HB ARG A 45 -64.788 20.387 -0.568 1.00 -6.18 H ATOM 577 2HB ARG A 45 -65.078 19.302 -1.924 1.00 -6.18 H ATOM 578 CG ARG A 45 -63.034 19.885 -1.660 1.00 -6.18 C ATOM 579 1HG ARG A 45 -62.687 19.942 -2.691 1.00 -6.18 H ATOM 580 2HG ARG A 45 -62.503 20.627 -1.064 1.00 -6.18 H ATOM 581 CD ARG A 45 -62.731 18.504 -1.123 1.00 -6.18 C ATOM 582 1HD ARG A 45 -61.689 18.463 -0.812 1.00 -6.18 H ATOM 583 2HD ARG A 45 -63.364 18.316 -0.258 1.00 -6.18 H ATOM 584 NE ARG A 45 -62.978 17.477 -2.143 1.00 -6.18 N ATOM 585 HE ARG A 45 -63.885 17.049 -2.127 1.00 -6.18 H ATOM 586 CZ ARG A 45 -62.119 17.071 -3.068 1.00 -6.18 C ATOM 587 NH1 ARG A 45 -62.538 16.246 -3.985 1.00 -6.18 N ATOM 588 1HH1 ARG A 45 -63.502 15.972 -4.009 1.00 -6.18 H ATOM 589 2HH1 ARG A 45 -61.887 15.862 -4.646 1.00 -6.18 H ATOM 590 NH2 ARG A 45 -60.869 17.457 -3.126 1.00 -6.18 N ATOM 591 1HH2 ARG A 45 -60.480 17.979 -2.348 1.00 -6.18 H ATOM 592 2HH2 ARG A 45 -60.294 17.200 -3.902 1.00 -6.18 H TER 593 ARG A 45 CONECT 63 60 260 CONECT 182 179 347 CONECT 250 247 425 CONECT 260 63 257 CONECT 347 182 344 CONECT 425 250 422 CONECT 470 467 525 CONECT 525 470 522 END
SEQUENCE	AQRCGDQARGAKCPNCLCCGKYGFCGSGDAYCGAGSCQSQCRGCR
HELICITY	4.40	INSTAB. INDEX	24.32	FLEXIBILITY	19.19
a HYD. MOM.	7.91	b HYD. MOM.	17.89	c HYD. MOM	3.95
a MEAN HYD. MOM.	0.18	b MEAN HYD. MOM.	0.40	c MEAN HYD. MOM.	0.09
CHARGE pH5	4.13	CHARGE pH7	3.55	CHARGE pH9	-4.65
Δ CHARGE pH5-pH9	8.79	ISOELECTRIC POINT	8.62	BOMAN INDEX	1.98
ΔG	34	CPP	-0,28	MLP	-18,18
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	Tracheophyta	CLASS	Magnoliopsida	ORDER	Poales
FAMILY	Gramineae	GENUS	Triticum	SPECIES	Triticum kiharae
DATE	2009
TITLE PAPER	A novel antifungal hevein-type peptide from Triticum kiharae seeds with a unique 10-cysteine motif.