ATOM 1 N GLY A 1 3.812 7.106 3.775 1.00 0.00 N ATOM 2 CA GLY A 1 4.359 6.307 2.642 1.00 0.00 C ATOM 3 C GLY A 1 5.868 6.156 2.805 1.00 0.00 C ATOM 4 O GLY A 1 6.628 7.091 2.553 1.00 0.00 O ATOM 5 H1 GLY A 1 2.851 7.426 3.541 1.00 0.00 H ATOM 6 H2 GLY A 1 4.422 7.931 3.946 1.00 0.00 H ATOM 7 H3 GLY A 1 3.777 6.516 4.631 1.00 0.00 H ATOM 8 HA2 GLY A 1 3.897 5.330 2.635 1.00 0.00 H ATOM 9 HA3 GLY A 1 4.150 6.811 1.710 1.00 0.00 H ATOM 10 N ARG A 2 6.294 4.969 3.225 1.00 0.00 N ATOM 11 CA ARG A 2 7.713 4.701 3.418 1.00 0.00 C ATOM 12 C ARG A 2 8.470 4.850 2.103 1.00 0.00 C ATOM 13 O ARG A 2 9.677 5.084 2.092 1.00 0.00 O ATOM 14 CB ARG A 2 7.912 3.289 3.975 1.00 0.00 C ATOM 15 CG ARG A 2 7.397 3.232 5.416 1.00 0.00 C ATOM 16 CD ARG A 2 7.577 1.818 5.968 1.00 0.00 C ATOM 17 NE ARG A 2 7.081 1.744 7.338 1.00 0.00 N ATOM 18 CZ ARG A 2 7.403 0.726 8.131 1.00 0.00 C ATOM 19 NH1 ARG A 2 8.177 -0.226 7.688 1.00 0.00 N1+ ATOM 20 NH2 ARG A 2 6.944 0.679 9.351 1.00 0.00 N ATOM 21 H ARG A 2 5.641 4.261 3.406 1.00 0.00 H ATOM 22 HA ARG A 2 8.109 5.413 4.130 1.00 0.00 H ATOM 23 HB2 ARG A 2 7.367 2.582 3.368 1.00 0.00 H ATOM 24 HB3 ARG A 2 8.963 3.041 3.962 1.00 0.00 H ATOM 25 HG2 ARG A 2 7.951 3.931 6.023 1.00 0.00 H ATOM 26 HG3 ARG A 2 6.349 3.491 5.432 1.00 0.00 H ATOM 27 HD2 ARG A 2 7.032 1.121 5.353 1.00 0.00 H ATOM 28 HD3 ARG A 2 8.627 1.560 5.951 1.00 0.00 H ATOM 29 HE ARG A 2 6.500 2.455 7.680 1.00 0.00 H ATOM 30 HH11 ARG A 2 8.529 -0.192 6.752 1.00 0.00 H ATOM 31 HH12 ARG A 2 8.419 -0.992 8.284 1.00 0.00 H ATOM 32 HH21 ARG A 2 6.349 1.410 9.691 1.00 0.00 H ATOM 33 HH22 ARG A 2 7.186 -0.086 9.948 1.00 0.00 H ATOM 34 N ILE A 3 7.751 4.714 0.995 1.00 0.00 N ATOM 35 CA ILE A 3 8.364 4.836 -0.323 1.00 0.00 C ATOM 36 C ILE A 3 8.924 6.242 -0.524 1.00 0.00 C ATOM 37 O ILE A 3 10.025 6.411 -1.048 1.00 0.00 O ATOM 38 CB ILE A 3 7.329 4.539 -1.406 1.00 0.00 C ATOM 39 CG1 ILE A 3 6.945 3.060 -1.345 1.00 0.00 C ATOM 40 CG2 ILE A 3 7.925 4.854 -2.779 1.00 0.00 C ATOM 41 CD1 ILE A 3 5.684 2.828 -2.176 1.00 0.00 C ATOM 42 H ILE A 3 6.791 4.526 1.062 1.00 0.00 H ATOM 43 HA ILE A 3 9.170 4.121 -0.403 1.00 0.00 H ATOM 44 HB ILE A 3 6.453 5.149 -1.244 1.00 0.00 H ATOM 45 HG12 ILE A 3 7.753 2.462 -1.740 1.00 0.00 H ATOM 46 HG13 ILE A 3 6.755 2.778 -0.320 1.00 0.00 H ATOM 47 HG21 ILE A 3 8.951 5.168 -2.663 1.00 0.00 H ATOM 48 HG22 ILE A 3 7.357 5.646 -3.244 1.00 0.00 H ATOM 49 HG23 ILE A 3 7.887 3.971 -3.399 1.00 0.00 H ATOM 50 HD11 ILE A 3 5.739 3.410 -3.084 1.00 0.00 H ATOM 51 HD12 ILE A 3 4.817 3.131 -1.605 1.00 0.00 H ATOM 52 HD13 ILE A 3 5.604 1.781 -2.424 1.00 0.00 H ATOM 53 N ASP A 4 8.160 7.246 -0.110 1.00 0.00 N ATOM 54 CA ASP A 4 8.593 8.631 -0.260 1.00 0.00 C ATOM 55 C ASP A 4 10.059 8.780 0.135 1.00 0.00 C ATOM 56 O ASP A 4 10.725 9.736 -0.262 1.00 0.00 O ATOM 57 CB ASP A 4 7.735 9.543 0.617 1.00 0.00 C ATOM 58 CG ASP A 4 7.880 9.144 2.081 1.00 0.00 C ATOM 59 OD1 ASP A 4 8.769 8.363 2.375 1.00 0.00 O ATOM 60 OD2 ASP A 4 7.100 9.625 2.887 1.00 0.00 O1- ATOM 61 H ASP A 4 7.289 7.054 0.298 1.00 0.00 H ATOM 62 HA ASP A 4 8.476 8.927 -1.291 1.00 0.00 H ATOM 63 HB2 ASP A 4 8.054 10.568 0.490 1.00 0.00 H ATOM 64 HB3 ASP A 4 6.699 9.452 0.324 1.00 0.00 H HETATM 65 N DBU A 5 10.556 7.828 0.918 1.00 0.00 N HETATM 66 CA DBU A 5 11.899 7.864 1.343 1.00 0.00 C HETATM 67 CB DBU A 5 12.499 8.715 2.279 1.00 0.00 C HETATM 68 CG DBU A 5 11.777 9.801 3.036 1.00 0.00 C HETATM 69 C DBU A 5 12.706 6.803 0.636 1.00 0.00 C HETATM 70 O DBU A 5 13.810 7.052 0.153 1.00 0.00 O HETATM 71 H DBU A 5 9.989 7.085 1.209 1.00 0.00 H HETATM 72 HB DBU A 5 13.554 8.603 2.487 1.00 0.00 H HETATM 73 HG1 DBU A 5 11.742 9.547 4.085 1.00 0.00 H HETATM 74 HG2 DBU A 5 12.301 10.738 2.909 1.00 0.00 H HETATM 75 HG3 DBU A 5 10.770 9.897 2.655 1.00 0.00 H ATOM 76 N CYS A 6 12.144 5.598 0.568 1.00 0.00 N ATOM 77 CA CYS A 6 12.823 4.490 -0.093 1.00 0.00 C ATOM 78 C CYS A 6 12.511 4.500 -1.588 1.00 0.00 C ATOM 79 O CYS A 6 11.480 5.022 -2.012 1.00 0.00 O ATOM 80 CB CYS A 6 12.394 3.155 0.533 1.00 0.00 C ATOM 81 SG CYS A 6 13.823 2.058 0.668 1.00 0.00 S ATOM 82 H CYS A 6 11.260 5.456 0.967 1.00 0.00 H ATOM 83 HA CYS A 6 13.884 4.609 0.037 1.00 0.00 H ATOM 84 HB2 CYS A 6 11.995 3.327 1.521 1.00 0.00 H ATOM 85 HB3 CYS A 6 11.642 2.690 -0.085 1.00 0.00 H ATOM 86 N PRO A 7 13.386 3.950 -2.387 1.00 0.00 N ATOM 87 CA PRO A 7 13.212 3.902 -3.869 1.00 0.00 C ATOM 88 C PRO A 7 11.903 3.231 -4.273 1.00 0.00 C ATOM 89 O PRO A 7 11.393 3.467 -5.368 1.00 0.00 O ATOM 90 CB PRO A 7 14.419 3.096 -4.357 1.00 0.00 C ATOM 91 CG PRO A 7 15.432 3.203 -3.267 1.00 0.00 C ATOM 92 CD PRO A 7 14.642 3.312 -1.967 1.00 0.00 C ATOM 93 HA PRO A 7 13.258 4.899 -4.276 1.00 0.00 H ATOM 94 HB2 PRO A 7 14.139 2.063 -4.512 1.00 0.00 H ATOM 95 HB3 PRO A 7 14.810 3.521 -5.266 1.00 0.00 H ATOM 96 HG2 PRO A 7 16.057 2.321 -3.255 1.00 0.00 H ATOM 97 HG3 PRO A 7 16.032 4.088 -3.403 1.00 0.00 H ATOM 98 HD2 PRO A 7 14.456 2.331 -1.559 1.00 0.00 H ATOM 99 HD3 PRO A 7 15.160 3.935 -1.254 1.00 0.00 H ATOM 100 N ALA A 8 11.374 2.392 -3.383 1.00 0.00 N ATOM 101 CA ALA A 8 10.122 1.684 -3.647 1.00 0.00 C ATOM 102 C ALA A 8 10.403 0.301 -4.224 1.00 0.00 C ATOM 103 O ALA A 8 9.760 -0.128 -5.183 1.00 0.00 O ATOM 104 CB ALA A 8 9.253 2.481 -4.623 1.00 0.00 C ATOM 105 H ALA A 8 11.834 2.246 -2.530 1.00 0.00 H ATOM 106 HA ALA A 8 9.583 1.570 -2.720 1.00 0.00 H ATOM 107 HB1 ALA A 8 8.212 2.282 -4.424 1.00 0.00 H ATOM 108 HB2 ALA A 8 9.489 2.190 -5.637 1.00 0.00 H ATOM 109 HB3 ALA A 8 9.450 3.537 -4.500 1.00 0.00 H ATOM 110 N GLY A 9 11.368 -0.392 -3.631 1.00 0.00 N ATOM 111 CA GLY A 9 11.733 -1.727 -4.088 1.00 0.00 C ATOM 112 C GLY A 9 11.095 -2.795 -3.208 1.00 0.00 C ATOM 113 O GLY A 9 11.674 -3.858 -2.985 1.00 0.00 O ATOM 114 H GLY A 9 11.845 0.004 -2.871 1.00 0.00 H ATOM 115 HA2 GLY A 9 11.399 -1.857 -5.107 1.00 0.00 H ATOM 116 HA3 GLY A 9 12.807 -1.832 -4.048 1.00 0.00 H ATOM 117 N GLY A 10 9.899 -2.504 -2.703 1.00 0.00 N ATOM 118 CA GLY A 10 9.194 -3.445 -1.842 1.00 0.00 C ATOM 119 C GLY A 10 9.839 -3.498 -0.460 1.00 0.00 C ATOM 120 O GLY A 10 9.205 -3.177 0.545 1.00 0.00 O ATOM 121 H GLY A 10 9.487 -1.640 -2.913 1.00 0.00 H ATOM 122 HA2 GLY A 10 8.163 -3.134 -1.745 1.00 0.00 H ATOM 123 HA3 GLY A 10 9.229 -4.426 -2.284 1.00 0.00 H ATOM 124 N GLY A 11 11.107 -3.902 -0.424 1.00 0.00 N ATOM 125 CA GLY A 11 11.842 -3.996 0.836 1.00 0.00 C ATOM 126 C GLY A 11 12.008 -2.620 1.470 1.00 0.00 C ATOM 127 O GLY A 11 11.923 -2.468 2.687 1.00 0.00 O ATOM 128 H GLY A 11 11.557 -4.143 -1.260 1.00 0.00 H ATOM 129 HA2 GLY A 11 11.303 -4.640 1.517 1.00 0.00 H ATOM 130 HA3 GLY A 11 12.821 -4.413 0.645 1.00 0.00 H HETATM 131 N DBB A 12 12.252 -1.624 0.628 1.00 0.00 N HETATM 132 CA DBB A 12 12.436 -0.256 1.093 1.00 0.00 C HETATM 133 C DBB A 12 13.355 -0.230 2.305 1.00 0.00 C HETATM 134 O DBB A 12 13.300 0.679 3.130 1.00 0.00 O HETATM 135 CB DBB A 12 13.031 0.592 -0.032 1.00 0.00 C HETATM 136 CG DBB A 12 14.069 -0.229 -0.795 1.00 0.00 C HETATM 137 H DBB A 12 12.314 -1.817 -0.324 1.00 0.00 H HETATM 138 HA DBB A 12 11.478 0.151 1.366 1.00 0.00 H HETATM 139 HB2 DBB A 12 12.245 0.895 -0.708 1.00 0.00 H HETATM 140 HG1 DBB A 12 13.578 -0.802 -1.568 1.00 0.00 H HETATM 141 HG2 DBB A 12 14.569 -0.902 -0.112 1.00 0.00 H HETATM 142 HG3 DBB A 12 14.793 0.435 -1.244 1.00 0.00 H HETATM 143 N DAL A 13 14.192 -1.252 2.395 1.00 0.00 N HETATM 144 CA DAL A 13 15.133 -1.383 3.499 1.00 0.00 C HETATM 145 CB DAL A 13 14.373 -1.377 4.819 1.00 0.00 C HETATM 146 C DAL A 13 16.152 -0.237 3.486 1.00 0.00 C HETATM 147 O DAL A 13 15.876 0.822 2.925 1.00 0.00 O HETATM 148 H DAL A 13 14.170 -1.938 1.700 1.00 0.00 H HETATM 149 HA DAL A 13 15.642 -2.331 3.397 1.00 0.00 H HETATM 150 HB1 DAL A 13 13.466 -0.809 4.716 1.00 0.00 H HETATM 151 HB2 DAL A 13 14.129 -2.391 5.095 1.00 0.00 H ATOM 152 N GLU A 14 17.323 -0.441 4.105 1.00 0.00 N ATOM 153 CA GLU A 14 18.345 0.602 4.139 1.00 0.00 C ATOM 154 C GLU A 14 18.400 1.349 2.809 1.00 0.00 C ATOM 155 O GLU A 14 18.878 2.480 2.739 1.00 0.00 O ATOM 156 CB GLU A 14 19.710 -0.023 4.433 1.00 0.00 C ATOM 157 CG GLU A 14 19.703 -0.629 5.838 1.00 0.00 C ATOM 158 CD GLU A 14 19.526 0.472 6.880 1.00 0.00 C ATOM 159 OE1 GLU A 14 19.593 1.631 6.505 1.00 0.00 O ATOM 160 OE2 GLU A 14 19.326 0.139 8.036 1.00 0.00 O1- ATOM 161 H GLU A 14 17.502 -1.297 4.550 1.00 0.00 H ATOM 162 HA GLU A 14 18.105 1.302 4.925 1.00 0.00 H ATOM 163 HB2 GLU A 14 19.914 -0.797 3.707 1.00 0.00 H ATOM 164 HB3 GLU A 14 20.475 0.737 4.373 1.00 0.00 H ATOM 165 HG2 GLU A 14 18.887 -1.333 5.920 1.00 0.00 H ATOM 166 HG3 GLU A 14 20.637 -1.139 6.014 1.00 0.00 H ATOM 167 N GLN A 15 17.899 0.709 1.757 1.00 0.00 N ATOM 168 CA GLN A 15 17.887 1.325 0.436 1.00 0.00 C ATOM 169 C GLN A 15 17.276 2.723 0.496 1.00 0.00 C ATOM 170 O GLN A 15 17.564 3.575 -0.345 1.00 0.00 O ATOM 171 CB GLN A 15 17.091 0.448 -0.536 1.00 0.00 C ATOM 172 CG GLN A 15 17.975 -0.697 -1.032 1.00 0.00 C ATOM 173 CD GLN A 15 17.185 -1.577 -1.993 1.00 0.00 C ATOM 174 OE1 GLN A 15 17.114 -1.289 -3.188 1.00 0.00 O ATOM 175 NE2 GLN A 15 16.581 -2.643 -1.540 1.00 0.00 N ATOM 176 H GLN A 15 17.526 -0.188 1.873 1.00 0.00 H ATOM 177 HA GLN A 15 18.904 1.403 0.080 1.00 0.00 H ATOM 178 HB2 GLN A 15 16.234 0.036 -0.021 1.00 0.00 H ATOM 179 HB3 GLN A 15 16.760 1.040 -1.376 1.00 0.00 H ATOM 180 HG2 GLN A 15 18.836 -0.290 -1.542 1.00 0.00 H ATOM 181 HG3 GLN A 15 18.303 -1.289 -0.191 1.00 0.00 H ATOM 182 HE21 GLN A 15 16.638 -2.870 -0.588 1.00 0.00 H ATOM 183 HE22 GLN A 15 16.070 -3.213 -2.152 1.00 0.00 H HETATM 184 N DBB A 16 16.438 2.951 1.500 1.00 0.00 N HETATM 185 CA DBB A 16 15.793 4.248 1.673 1.00 0.00 C HETATM 186 C DBB A 16 14.504 4.086 2.473 1.00 0.00 C HETATM 187 O DBB A 16 14.245 3.014 3.027 1.00 0.00 O HETATM 188 CB DBB A 16 16.743 5.208 2.406 1.00 0.00 C HETATM 189 CG DBB A 16 15.979 6.447 2.893 1.00 0.00 C HETATM 190 H DBB A 16 16.251 2.235 2.140 1.00 0.00 H HETATM 191 HA DBB A 16 15.561 4.657 0.703 1.00 0.00 H HETATM 192 HB2 DBB A 16 17.519 5.521 1.727 1.00 0.00 H HETATM 193 HG1 DBB A 16 16.675 7.149 3.329 1.00 0.00 H HETATM 194 HG2 DBB A 16 15.250 6.161 3.635 1.00 0.00 H HETATM 195 HG3 DBB A 16 15.477 6.915 2.060 1.00 0.00 H ATOM 196 N GLY A 17 13.715 5.159 2.548 1.00 0.00 N ATOM 197 CA GLY A 17 12.461 5.146 3.302 1.00 0.00 C ATOM 198 C GLY A 17 12.300 3.849 4.075 1.00 0.00 C ATOM 199 O GLY A 17 13.126 3.514 4.922 1.00 0.00 O ATOM 200 H GLY A 17 13.989 5.982 2.095 1.00 0.00 H ATOM 201 HA2 GLY A 17 12.462 5.973 3.998 1.00 0.00 H ATOM 202 HA3 GLY A 17 11.631 5.257 2.624 1.00 0.00 H HETATM 203 N DBU A 18 11.236 3.118 3.769 1.00 0.00 N HETATM 204 CA DBU A 18 10.989 1.891 4.410 1.00 0.00 C HETATM 205 CB DBU A 18 10.267 0.796 3.919 1.00 0.00 C HETATM 206 CG DBU A 18 9.595 0.715 2.567 1.00 0.00 C HETATM 207 C DBU A 18 11.612 1.839 5.785 1.00 0.00 C HETATM 208 O DBU A 18 11.041 2.298 6.774 1.00 0.00 O HETATM 209 H DBU A 18 10.612 3.424 3.078 1.00 0.00 H HETATM 210 HB DBU A 18 10.170 -0.079 4.543 1.00 0.00 H HETATM 211 HG1 DBU A 18 8.541 0.926 2.674 1.00 0.00 H HETATM 212 HG2 DBU A 18 10.041 1.444 1.906 1.00 0.00 H HETATM 213 HG3 DBU A 18 9.722 -0.275 2.151 1.00 0.00 H ATOM 214 N CYS A 19 12.805 1.252 5.846 1.00 0.00 N ATOM 215 CA CYS A 19 13.516 1.111 7.113 1.00 0.00 C ATOM 216 C CYS A 19 14.682 2.090 7.232 1.00 0.00 C ATOM 217 O CYS A 19 15.135 2.385 8.337 1.00 0.00 O ATOM 218 CB CYS A 19 14.026 -0.325 7.253 1.00 0.00 C ATOM 219 SG CYS A 19 15.388 -0.616 6.103 1.00 0.00 S ATOM 220 H CYS A 19 13.207 0.894 5.027 1.00 0.00 H ATOM 221 HA CYS A 19 12.824 1.304 7.919 1.00 0.00 H ATOM 222 HB2 CYS A 19 14.369 -0.490 8.253 1.00 0.00 H ATOM 223 HB3 CYS A 19 13.226 -1.013 7.031 1.00 0.00 H ATOM 224 N CYS A 20 15.170 2.589 6.101 1.00 0.00 N ATOM 225 CA CYS A 20 16.290 3.529 6.116 1.00 0.00 C ATOM 226 C CYS A 20 16.364 4.272 7.444 1.00 0.00 C ATOM 227 O CYS A 20 15.576 5.184 7.636 1.00 0.00 O ATOM 228 CB CYS A 20 16.135 4.540 4.986 1.00 0.00 C ATOM 229 SG CYS A 20 17.498 4.345 3.810 1.00 0.00 S ATOM 230 OXT CYS A 20 17.212 3.926 8.251 1.00 0.00 O ATOM 231 H CYS A 20 14.777 2.321 5.242 1.00 0.00 H ATOM 232 HA CYS A 20 17.208 2.981 5.969 1.00 0.00 H ATOM 233 HB2 CYS A 20 15.197 4.376 4.492 1.00 0.00 H ATOM 234 HB3 CYS A 20 16.153 5.539 5.394 1.00 0.00 H TER 235 CYS A 20