ATOM 1 N GLY A -2 -20.428 -2.030 -6.911 1.00 0.00 N ATOM 2 CA GLY A -2 -19.755 -1.538 -5.686 1.00 0.00 C ATOM 3 C GLY A -2 -19.627 -0.030 -5.685 1.00 0.00 C ATOM 4 O GLY A -2 -19.734 0.596 -6.741 1.00 0.00 O ATOM 5 H1 GLY A -2 -21.382 -1.624 -6.979 1.00 0.00 H ATOM 6 H2 GLY A -2 -20.506 -3.067 -6.887 1.00 0.00 H ATOM 7 H3 GLY A -2 -19.885 -1.752 -7.752 1.00 0.00 H ATOM 8 HA2 GLY A -2 -20.329 -1.841 -4.825 1.00 0.00 H ATOM 9 HA3 GLY A -2 -18.770 -1.976 -5.626 1.00 0.00 H ATOM 10 N PRO A -1 -19.401 0.585 -4.513 1.00 0.00 N ATOM 11 CA PRO A -1 -19.291 2.041 -4.387 1.00 0.00 C ATOM 12 C PRO A -1 -18.073 2.589 -5.120 1.00 0.00 C ATOM 13 O PRO A -1 -16.937 2.410 -4.679 1.00 0.00 O ATOM 14 CB PRO A -1 -19.152 2.278 -2.875 1.00 0.00 C ATOM 15 CG PRO A -1 -19.556 0.994 -2.232 1.00 0.00 C ATOM 16 CD PRO A -1 -19.228 -0.088 -3.218 1.00 0.00 C ATOM 17 HA PRO A -1 -20.179 2.535 -4.751 1.00 0.00 H ATOM 18 HB2 PRO A -1 -18.126 2.531 -2.641 1.00 0.00 H ATOM 19 HB3 PRO A -1 -19.800 3.087 -2.577 1.00 0.00 H ATOM 20 HG2 PRO A -1 -18.997 0.850 -1.318 1.00 0.00 H ATOM 21 HG3 PRO A -1 -20.616 1.005 -2.026 1.00 0.00 H ATOM 22 HD2 PRO A -1 -18.210 -0.422 -3.088 1.00 0.00 H ATOM 23 HD3 PRO A -1 -19.916 -0.913 -3.116 1.00 0.00 H ATOM 24 N HIS A 0 -18.315 3.281 -6.230 1.00 0.00 N ATOM 25 CA HIS A 0 -17.231 3.833 -7.043 1.00 0.00 C ATOM 26 C HIS A 0 -16.591 5.045 -6.372 1.00 0.00 C ATOM 27 O HIS A 0 -15.721 5.694 -6.944 1.00 0.00 O ATOM 28 CB HIS A 0 -17.733 4.223 -8.435 1.00 0.00 C ATOM 29 CG HIS A 0 -18.067 3.056 -9.313 1.00 0.00 C ATOM 30 ND1 HIS A 0 -19.204 3.001 -10.090 1.00 0.00 N ATOM 31 CD2 HIS A 0 -17.397 1.905 -9.554 1.00 0.00 C ATOM 32 CE1 HIS A 0 -19.218 1.869 -10.767 1.00 0.00 C ATOM 33 NE2 HIS A 0 -18.133 1.185 -10.462 1.00 0.00 N ATOM 34 H HIS A 0 -19.247 3.426 -6.509 1.00 0.00 H ATOM 35 HA HIS A 0 -16.479 3.063 -7.148 1.00 0.00 H ATOM 36 HB2 HIS A 0 -18.623 4.823 -8.332 1.00 0.00 H ATOM 37 HB3 HIS A 0 -16.971 4.805 -8.933 1.00 0.00 H ATOM 38 HD1 HIS A 0 -19.897 3.698 -10.147 1.00 0.00 H ATOM 39 HD2 HIS A 0 -16.455 1.608 -9.114 1.00 0.00 H ATOM 40 HE1 HIS A 0 -19.985 1.557 -11.458 1.00 0.00 H ATOM 41 HE2 HIS A 0 -17.804 0.405 -10.965 1.00 0.00 H ATOM 42 N MET A 1 -17.032 5.350 -5.162 1.00 0.00 N ATOM 43 CA MET A 1 -16.458 6.444 -4.395 1.00 0.00 C ATOM 44 C MET A 1 -15.302 5.950 -3.533 1.00 0.00 C ATOM 45 O MET A 1 -14.605 6.743 -2.900 1.00 0.00 O ATOM 46 CB MET A 1 -17.521 7.090 -3.501 1.00 0.00 C ATOM 47 CG MET A 1 -18.122 6.136 -2.481 1.00 0.00 C ATOM 48 SD MET A 1 -19.296 6.943 -1.374 1.00 0.00 S ATOM 49 CE MET A 1 -18.241 8.136 -0.553 1.00 0.00 C ATOM 50 H MET A 1 -17.769 4.830 -4.781 1.00 0.00 H ATOM 51 HA MET A 1 -16.087 7.182 -5.090 1.00 0.00 H ATOM 52 HB2 MET A 1 -17.071 7.915 -2.970 1.00 0.00 H ATOM 53 HB3 MET A 1 -18.319 7.468 -4.123 1.00 0.00 H ATOM 54 HG2 MET A 1 -18.635 5.346 -3.009 1.00 0.00 H ATOM 55 HG3 MET A 1 -17.324 5.709 -1.891 1.00 0.00 H ATOM 56 HE1 MET A 1 -17.843 8.827 -1.280 1.00 0.00 H ATOM 57 HE2 MET A 1 -17.429 7.620 -0.065 1.00 0.00 H ATOM 58 HE3 MET A 1 -18.818 8.679 0.182 1.00 0.00 H ATOM 59 N ALA A 2 -15.101 4.638 -3.509 1.00 0.00 N ATOM 60 CA ALA A 2 -14.069 4.043 -2.677 1.00 0.00 C ATOM 61 C ALA A 2 -13.078 3.260 -3.519 1.00 0.00 C ATOM 62 O ALA A 2 -13.424 2.733 -4.575 1.00 0.00 O ATOM 63 CB ALA A 2 -14.691 3.141 -1.626 1.00 0.00 C ATOM 64 H ALA A 2 -15.650 4.057 -4.077 1.00 0.00 H ATOM 65 HA ALA A 2 -13.544 4.840 -2.170 1.00 0.00 H ATOM 66 HB1 ALA A 2 -15.377 3.714 -1.019 1.00 0.00 H ATOM 67 HB2 ALA A 2 -13.912 2.729 -1.001 1.00 0.00 H ATOM 68 HB3 ALA A 2 -15.224 2.338 -2.112 1.00 0.00 H ATOM 69 N VAL A 3 -11.850 3.187 -3.041 1.00 0.00 N ATOM 70 CA VAL A 3 -10.784 2.494 -3.745 1.00 0.00 C ATOM 71 C VAL A 3 -10.352 1.267 -2.958 1.00 0.00 C ATOM 72 O VAL A 3 -10.298 1.299 -1.728 1.00 0.00 O ATOM 73 CB VAL A 3 -9.571 3.430 -3.958 1.00 0.00 C ATOM 74 CG1 VAL A 3 -8.466 2.732 -4.733 1.00 0.00 C ATOM 75 CG2 VAL A 3 -9.993 4.707 -4.668 1.00 0.00 C ATOM 76 H VAL A 3 -11.652 3.607 -2.180 1.00 0.00 H ATOM 77 HA VAL A 3 -11.155 2.177 -4.707 1.00 0.00 H ATOM 78 HB VAL A 3 -9.179 3.699 -2.987 1.00 0.00 H ATOM 79 HG11 VAL A 3 -8.838 2.437 -5.702 1.00 0.00 H ATOM 80 HG12 VAL A 3 -8.143 1.857 -4.189 1.00 0.00 H ATOM 81 HG13 VAL A 3 -7.632 3.407 -4.856 1.00 0.00 H ATOM 82 HG21 VAL A 3 -9.130 5.340 -4.815 1.00 0.00 H ATOM 83 HG22 VAL A 3 -10.723 5.228 -4.067 1.00 0.00 H ATOM 84 HG23 VAL A 3 -10.425 4.460 -5.626 1.00 0.00 H ATOM 85 N LEU A 4 -10.086 0.179 -3.664 1.00 0.00 N ATOM 86 CA LEU A 4 -9.597 -1.028 -3.039 1.00 0.00 C ATOM 87 C LEU A 4 -8.110 -0.931 -2.766 1.00 0.00 C ATOM 88 O LEU A 4 -7.458 0.065 -3.079 1.00 0.00 O ATOM 89 CB LEU A 4 -9.847 -2.254 -3.921 1.00 0.00 C ATOM 90 CG LEU A 4 -11.303 -2.647 -4.154 1.00 0.00 C ATOM 91 CD1 LEU A 4 -12.056 -2.781 -2.845 1.00 0.00 C ATOM 92 CD2 LEU A 4 -11.995 -1.677 -5.078 1.00 0.00 C ATOM 93 H LEU A 4 -10.234 0.182 -4.636 1.00 0.00 H ATOM 94 HA LEU A 4 -10.117 -1.155 -2.105 1.00 0.00 H ATOM 95 HB2 LEU A 4 -9.394 -2.071 -4.883 1.00 0.00 H ATOM 96 HB3 LEU A 4 -9.346 -3.096 -3.467 1.00 0.00 H ATOM 97 HG LEU A 4 -11.315 -3.603 -4.633 1.00 0.00 H ATOM 98 HD11 LEU A 4 -13.080 -3.057 -3.046 1.00 0.00 H ATOM 99 HD12 LEU A 4 -12.034 -1.839 -2.318 1.00 0.00 H ATOM 100 HD13 LEU A 4 -11.590 -3.547 -2.238 1.00 0.00 H ATOM 101 HD21 LEU A 4 -11.483 -1.670 -6.028 1.00 0.00 H ATOM 102 HD22 LEU A 4 -11.971 -0.691 -4.645 1.00 0.00 H ATOM 103 HD23 LEU A 4 -13.017 -1.988 -5.220 1.00 0.00 H ATOM 104 N CYS A 5 -7.592 -1.985 -2.180 1.00 0.00 N ATOM 105 CA CYS A 5 -6.177 -2.122 -1.928 1.00 0.00 C ATOM 106 C CYS A 5 -5.405 -2.194 -3.240 1.00 0.00 C ATOM 107 O CYS A 5 -5.776 -2.933 -4.143 1.00 0.00 O ATOM 108 CB CYS A 5 -5.980 -3.398 -1.136 1.00 0.00 C ATOM 109 SG CYS A 5 -4.301 -3.722 -0.575 1.00 0.00 S ATOM 110 H CYS A 5 -8.191 -2.705 -1.897 1.00 0.00 H ATOM 111 HA CYS A 5 -5.839 -1.277 -1.348 1.00 0.00 H ATOM 112 HB2 CYS A 5 -6.611 -3.364 -0.263 1.00 0.00 H ATOM 113 HB3 CYS A 5 -6.282 -4.233 -1.750 1.00 0.00 H ATOM 114 N GLY A 6 -4.335 -1.427 -3.340 1.00 0.00 N ATOM 115 CA GLY A 6 -3.525 -1.435 -4.543 1.00 0.00 C ATOM 116 C GLY A 6 -2.771 -2.737 -4.740 1.00 0.00 C ATOM 117 O GLY A 6 -2.270 -3.011 -5.829 1.00 0.00 O ATOM 118 H GLY A 6 -4.106 -0.819 -2.600 1.00 0.00 H ATOM 119 HA2 GLY A 6 -4.168 -1.274 -5.396 1.00 0.00 H ATOM 120 HA3 GLY A 6 -2.814 -0.625 -4.487 1.00 0.00 H ATOM 121 N VAL A 7 -2.669 -3.538 -3.685 1.00 0.00 N ATOM 122 CA VAL A 7 -1.998 -4.829 -3.779 1.00 0.00 C ATOM 123 C VAL A 7 -2.996 -5.965 -4.009 1.00 0.00 C ATOM 124 O VAL A 7 -2.975 -6.606 -5.057 1.00 0.00 O ATOM 125 CB VAL A 7 -1.145 -5.131 -2.528 1.00 0.00 C ATOM 126 CG1 VAL A 7 -0.529 -6.523 -2.612 1.00 0.00 C ATOM 127 CG2 VAL A 7 -0.055 -4.083 -2.372 1.00 0.00 C ATOM 128 H VAL A 7 -3.044 -3.249 -2.829 1.00 0.00 H ATOM 129 HA VAL A 7 -1.334 -4.785 -4.630 1.00 0.00 H ATOM 130 HB VAL A 7 -1.784 -5.091 -1.659 1.00 0.00 H ATOM 131 HG11 VAL A 7 0.048 -6.717 -1.720 1.00 0.00 H ATOM 132 HG12 VAL A 7 0.117 -6.579 -3.477 1.00 0.00 H ATOM 133 HG13 VAL A 7 -1.313 -7.260 -2.702 1.00 0.00 H ATOM 134 HG21 VAL A 7 0.492 -4.265 -1.458 1.00 0.00 H ATOM 135 HG22 VAL A 7 -0.504 -3.101 -2.334 1.00 0.00 H ATOM 136 HG23 VAL A 7 0.621 -4.139 -3.212 1.00 0.00 H ATOM 137 N CYS A 8 -3.883 -6.208 -3.046 1.00 0.00 N ATOM 138 CA CYS A 8 -4.795 -7.343 -3.159 1.00 0.00 C ATOM 139 C CYS A 8 -6.114 -6.948 -3.835 1.00 0.00 C ATOM 140 O CYS A 8 -6.941 -7.801 -4.143 1.00 0.00 O ATOM 141 CB CYS A 8 -5.040 -8.017 -1.796 1.00 0.00 C ATOM 142 SG CYS A 8 -5.884 -7.015 -0.548 1.00 0.00 S ATOM 143 H CYS A 8 -3.924 -5.627 -2.267 1.00 0.00 H ATOM 144 HA CYS A 8 -4.307 -8.064 -3.802 1.00 0.00 H ATOM 145 HB2 CYS A 8 -5.652 -8.892 -1.957 1.00 0.00 H ATOM 146 HB3 CYS A 8 -4.090 -8.325 -1.384 1.00 0.00 H ATOM 147 N GLY A 9 -6.290 -5.649 -4.073 1.00 0.00 N ATOM 148 CA GLY A 9 -7.422 -5.157 -4.851 1.00 0.00 C ATOM 149 C GLY A 9 -8.781 -5.443 -4.241 1.00 0.00 C ATOM 150 O GLY A 9 -9.765 -5.565 -4.970 1.00 0.00 O ATOM 151 H GLY A 9 -5.632 -5.011 -3.733 1.00 0.00 H ATOM 152 HA2 GLY A 9 -7.322 -4.089 -4.965 1.00 0.00 H ATOM 153 HA3 GLY A 9 -7.384 -5.609 -5.832 1.00 0.00 H ATOM 154 N ILE A 10 -8.859 -5.518 -2.915 1.00 0.00 N ATOM 155 CA ILE A 10 -10.109 -5.863 -2.250 1.00 0.00 C ATOM 156 C ILE A 10 -10.225 -5.177 -0.884 1.00 0.00 C ATOM 157 O ILE A 10 -9.266 -4.565 -0.407 1.00 0.00 O ATOM 158 CB ILE A 10 -10.253 -7.404 -2.069 1.00 0.00 C ATOM 159 CG1 ILE A 10 -9.050 -7.993 -1.327 1.00 0.00 C ATOM 160 CG2 ILE A 10 -10.418 -8.109 -3.404 1.00 0.00 C ATOM 161 CD1 ILE A 10 -9.227 -8.056 0.169 1.00 0.00 C ATOM 162 H ILE A 10 -8.073 -5.328 -2.374 1.00 0.00 H ATOM 163 HA ILE A 10 -10.920 -5.518 -2.881 1.00 0.00 H ATOM 164 HB ILE A 10 -11.140 -7.585 -1.487 1.00 0.00 H ATOM 165 HG12 ILE A 10 -8.874 -8.997 -1.682 1.00 0.00 H ATOM 166 HG13 ILE A 10 -8.179 -7.388 -1.533 1.00 0.00 H ATOM 167 HG21 ILE A 10 -10.634 -9.153 -3.233 1.00 0.00 H ATOM 168 HG22 ILE A 10 -9.498 -8.022 -3.967 1.00 0.00 H ATOM 169 HG23 ILE A 10 -11.226 -7.656 -3.956 1.00 0.00 H ATOM 170 HD11 ILE A 10 -9.539 -7.088 0.529 1.00 0.00 H ATOM 171 HD12 ILE A 10 -8.291 -8.330 0.631 1.00 0.00 H ATOM 172 HD13 ILE A 10 -9.981 -8.789 0.413 1.00 0.00 H ATOM 173 N LYS A 11 -11.428 -5.276 -0.305 1.00 0.00 N ATOM 174 CA LYS A 11 -11.765 -4.810 1.057 1.00 0.00 C ATOM 175 C LYS A 11 -11.385 -3.350 1.328 1.00 0.00 C ATOM 176 O LYS A 11 -11.169 -2.967 2.482 1.00 0.00 O ATOM 177 CB LYS A 11 -11.160 -5.727 2.136 1.00 0.00 C ATOM 178 CG LYS A 11 -9.697 -5.453 2.477 1.00 0.00 C ATOM 179 CD LYS A 11 -9.218 -6.320 3.631 1.00 0.00 C ATOM 180 CE LYS A 11 -9.988 -6.033 4.915 1.00 0.00 C ATOM 181 NZ LYS A 11 -9.815 -4.625 5.369 1.00 0.00 N1+ ATOM 182 H LYS A 11 -12.146 -5.693 -0.829 1.00 0.00 H ATOM 183 HA LYS A 11 -12.840 -4.877 1.139 1.00 0.00 H ATOM 184 HB2 LYS A 11 -11.736 -5.615 3.040 1.00 0.00 H ATOM 185 HB3 LYS A 11 -11.241 -6.751 1.800 1.00 0.00 H ATOM 186 HG2 LYS A 11 -9.087 -5.653 1.610 1.00 0.00 H ATOM 187 HG3 LYS A 11 -9.594 -4.414 2.756 1.00 0.00 H ATOM 188 HD2 LYS A 11 -9.355 -7.359 3.367 1.00 0.00 H ATOM 189 HD3 LYS A 11 -8.169 -6.126 3.800 1.00 0.00 H ATOM 190 HE2 LYS A 11 -11.036 -6.221 4.743 1.00 0.00 H ATOM 191 HE3 LYS A 11 -9.627 -6.696 5.688 1.00 0.00 H ATOM 192 HZ1 LYS A 11 -10.109 -3.965 4.621 1.00 0.00 H ATOM 193 HZ2 LYS A 11 -8.819 -4.444 5.603 1.00 0.00 H ATOM 194 HZ3 LYS A 11 -10.393 -4.449 6.217 1.00 0.00 H ATOM 195 N GLU A 12 -11.342 -2.537 0.276 1.00 0.00 N ATOM 196 CA GLU A 12 -11.011 -1.113 0.400 1.00 0.00 C ATOM 197 C GLU A 12 -9.570 -0.912 0.863 1.00 0.00 C ATOM 198 O GLU A 12 -8.867 -1.863 1.215 1.00 0.00 O ATOM 199 CB GLU A 12 -11.977 -0.420 1.365 1.00 0.00 C ATOM 200 CG GLU A 12 -13.391 -0.320 0.829 1.00 0.00 C ATOM 201 CD GLU A 12 -14.388 0.107 1.884 1.00 0.00 C ATOM 202 OE1 GLU A 12 -14.546 1.326 2.103 1.00 0.00 O1- ATOM 203 OE2 GLU A 12 -15.022 -0.773 2.502 1.00 0.00 O ATOM 204 H GLU A 12 -11.539 -2.901 -0.609 1.00 0.00 H ATOM 205 HA GLU A 12 -11.121 -0.667 -0.575 1.00 0.00 H ATOM 206 HB2 GLU A 12 -12.003 -0.974 2.292 1.00 0.00 H ATOM 207 HB3 GLU A 12 -11.617 0.579 1.563 1.00 0.00 H ATOM 208 HG2 GLU A 12 -13.401 0.405 0.030 1.00 0.00 H ATOM 209 HG3 GLU A 12 -13.685 -1.285 0.443 1.00 0.00 H ATOM 210 N PHE A 13 -9.123 0.331 0.837 1.00 0.00 N ATOM 211 CA PHE A 13 -7.782 0.662 1.286 1.00 0.00 C ATOM 212 C PHE A 13 -7.830 1.324 2.655 1.00 0.00 C ATOM 213 O PHE A 13 -8.889 1.767 3.108 1.00 0.00 O ATOM 214 CB PHE A 13 -7.086 1.588 0.282 1.00 0.00 C ATOM 215 CG PHE A 13 -7.546 3.022 0.334 1.00 0.00 C ATOM 216 CD1 PHE A 13 -8.690 3.429 -0.334 1.00 0.00 C ATOM 217 CD2 PHE A 13 -6.819 3.965 1.048 1.00 0.00 C ATOM 218 CE1 PHE A 13 -9.103 4.747 -0.289 1.00 0.00 C ATOM 219 CE2 PHE A 13 -7.226 5.284 1.094 1.00 0.00 C ATOM 220 CZ PHE A 13 -8.370 5.676 0.426 1.00 0.00 C ATOM 221 H PHE A 13 -9.707 1.043 0.498 1.00 0.00 H ATOM 222 HA PHE A 13 -7.223 -0.258 1.362 1.00 0.00 H ATOM 223 HB2 PHE A 13 -6.028 1.577 0.477 1.00 0.00 H ATOM 224 HB3 PHE A 13 -7.262 1.219 -0.717 1.00 0.00 H ATOM 225 HD1 PHE A 13 -9.266 2.705 -0.897 1.00 0.00 H ATOM 226 HD2 PHE A 13 -5.926 3.657 1.574 1.00 0.00 H ATOM 227 HE1 PHE A 13 -9.997 5.052 -0.812 1.00 0.00 H ATOM 228 HE2 PHE A 13 -6.648 6.008 1.652 1.00 0.00 H ATOM 229 HZ PHE A 13 -8.689 6.706 0.461 1.00 0.00 H ATOM 230 N LYS A 14 -6.683 1.385 3.308 1.00 0.00 N ATOM 231 CA LYS A 14 -6.563 2.041 4.595 1.00 0.00 C ATOM 232 C LYS A 14 -5.239 2.798 4.680 1.00 0.00 C ATOM 233 O LYS A 14 -5.130 3.812 5.369 1.00 0.00 O ATOM 234 CB LYS A 14 -6.675 1.005 5.714 1.00 0.00 C ATOM 235 CG LYS A 14 -6.501 1.578 7.111 1.00 0.00 C ATOM 236 CD LYS A 14 -6.810 0.547 8.185 1.00 0.00 C ATOM 237 CE LYS A 14 -8.258 0.085 8.120 1.00 0.00 C ATOM 238 NZ LYS A 14 -8.584 -0.875 9.205 1.00 0.00 N1+ ATOM 239 H LYS A 14 -5.887 0.964 2.914 1.00 0.00 H ATOM 240 HA LYS A 14 -7.373 2.745 4.686 1.00 0.00 H ATOM 241 HB2 LYS A 14 -7.647 0.543 5.658 1.00 0.00 H ATOM 242 HB3 LYS A 14 -5.919 0.248 5.562 1.00 0.00 H ATOM 243 HG2 LYS A 14 -5.477 1.901 7.228 1.00 0.00 H ATOM 244 HG3 LYS A 14 -7.163 2.422 7.230 1.00 0.00 H ATOM 245 HD2 LYS A 14 -6.165 -0.306 8.044 1.00 0.00 H ATOM 246 HD3 LYS A 14 -6.626 0.986 9.154 1.00 0.00 H ATOM 247 HE2 LYS A 14 -8.904 0.946 8.208 1.00 0.00 H ATOM 248 HE3 LYS A 14 -8.427 -0.394 7.168 1.00 0.00 H ATOM 249 HZ1 LYS A 14 -9.564 -1.207 9.108 1.00 0.00 H ATOM 250 HZ2 LYS A 14 -8.479 -0.418 10.132 1.00 0.00 H ATOM 251 HZ3 LYS A 14 -7.947 -1.695 9.163 1.00 0.00 H ATOM 252 N TYR A 15 -4.250 2.308 3.953 1.00 0.00 N ATOM 253 CA TYR A 15 -2.919 2.893 3.951 1.00 0.00 C ATOM 254 C TYR A 15 -2.602 3.479 2.586 1.00 0.00 C ATOM 255 O TYR A 15 -3.408 3.398 1.661 1.00 0.00 O ATOM 256 CB TYR A 15 -1.870 1.831 4.283 1.00 0.00 C ATOM 257 CG TYR A 15 -1.998 1.231 5.661 1.00 0.00 C ATOM 258 CD1 TYR A 15 -3.081 0.431 5.991 1.00 0.00 C ATOM 259 CD2 TYR A 15 -1.033 1.461 6.627 1.00 0.00 C ATOM 260 CE1 TYR A 15 -3.204 -0.120 7.248 1.00 0.00 C ATOM 261 CE2 TYR A 15 -1.145 0.911 7.889 1.00 0.00 C ATOM 262 CZ TYR A 15 -2.233 0.122 8.195 1.00 0.00 C ATOM 263 OH TYR A 15 -2.352 -0.426 9.452 1.00 0.00 O ATOM 264 H TYR A 15 -4.417 1.523 3.388 1.00 0.00 H ATOM 265 HA TYR A 15 -2.888 3.675 4.694 1.00 0.00 H ATOM 266 HB2 TYR A 15 -1.952 1.027 3.568 1.00 0.00 H ATOM 267 HB3 TYR A 15 -0.888 2.273 4.204 1.00 0.00 H ATOM 268 HD1 TYR A 15 -3.840 0.245 5.242 1.00 0.00 H ATOM 269 HD2 TYR A 15 -0.183 2.081 6.383 1.00 0.00 H ATOM 270 HE1 TYR A 15 -4.058 -0.737 7.483 1.00 0.00 H ATOM 271 HE2 TYR A 15 -0.382 1.097 8.628 1.00 0.00 H ATOM 272 HH TYR A 15 -2.592 -1.360 9.372 1.00 0.00 H ATOM 273 N LYS A 16 -1.415 4.047 2.467 1.00 0.00 N ATOM 274 CA LYS A 16 -0.925 4.568 1.203 1.00 0.00 C ATOM 275 C LYS A 16 0.578 4.770 1.291 1.00 0.00 C ATOM 276 O LYS A 16 1.040 5.705 1.938 1.00 0.00 O ATOM 277 CB LYS A 16 -1.620 5.888 0.847 1.00 0.00 C ATOM 278 CG LYS A 16 -1.210 6.460 -0.505 1.00 0.00 C ATOM 279 CD LYS A 16 -2.075 7.648 -0.897 1.00 0.00 C ATOM 280 CE LYS A 16 -1.999 8.770 0.128 1.00 0.00 C ATOM 281 NZ LYS A 16 -2.820 9.941 -0.276 1.00 0.00 N1+ ATOM 282 H LYS A 16 -0.841 4.119 3.263 1.00 0.00 H ATOM 283 HA LYS A 16 -1.135 3.837 0.437 1.00 0.00 H ATOM 284 HB2 LYS A 16 -2.687 5.727 0.835 1.00 0.00 H ATOM 285 HB3 LYS A 16 -1.385 6.619 1.608 1.00 0.00 H ATOM 286 HG2 LYS A 16 -0.179 6.783 -0.458 1.00 0.00 H ATOM 287 HG3 LYS A 16 -1.312 5.690 -1.255 1.00 0.00 H ATOM 288 HD2 LYS A 16 -1.740 8.024 -1.851 1.00 0.00 H ATOM 289 HD3 LYS A 16 -3.100 7.318 -0.980 1.00 0.00 H ATOM 290 HE2 LYS A 16 -2.360 8.399 1.076 1.00 0.00 H ATOM 291 HE3 LYS A 16 -0.970 9.078 0.231 1.00 0.00 H ATOM 292 HZ1 LYS A 16 -3.809 9.651 -0.429 1.00 0.00 H ATOM 293 HZ2 LYS A 16 -2.453 10.351 -1.157 1.00 0.00 H ATOM 294 HZ3 LYS A 16 -2.796 10.668 0.466 1.00 0.00 H ATOM 295 N CYS A 17 1.334 3.871 0.669 1.00 0.00 N ATOM 296 CA CYS A 17 2.788 3.971 0.666 1.00 0.00 C ATOM 297 C CYS A 17 3.230 5.359 0.212 1.00 0.00 C ATOM 298 O CYS A 17 2.891 5.788 -0.883 1.00 0.00 O ATOM 299 CB CYS A 17 3.414 2.912 -0.250 1.00 0.00 C ATOM 300 SG CYS A 17 5.216 3.033 -0.347 1.00 0.00 S ATOM 301 H CYS A 17 0.901 3.125 0.201 1.00 0.00 H ATOM 302 HA CYS A 17 3.132 3.808 1.675 1.00 0.00 H ATOM 303 HB2 CYS A 17 3.165 1.931 0.122 1.00 0.00 H ATOM 304 HB3 CYS A 17 3.020 3.029 -1.248 1.00 0.00 H ATOM 305 N PRO A 18 3.990 6.076 1.052 1.00 0.00 N ATOM 306 CA PRO A 18 4.478 7.421 0.728 1.00 0.00 C ATOM 307 C PRO A 18 5.389 7.433 -0.497 1.00 0.00 C ATOM 308 O PRO A 18 5.617 8.479 -1.103 1.00 0.00 O ATOM 309 CB PRO A 18 5.258 7.845 1.981 1.00 0.00 C ATOM 310 CG PRO A 18 5.532 6.587 2.725 1.00 0.00 C ATOM 311 CD PRO A 18 4.411 5.646 2.394 1.00 0.00 C ATOM 312 HA PRO A 18 3.658 8.105 0.566 1.00 0.00 H ATOM 313 HB2 PRO A 18 6.177 8.330 1.686 1.00 0.00 H ATOM 314 HB3 PRO A 18 4.659 8.525 2.566 1.00 0.00 H ATOM 315 HG2 PRO A 18 6.475 6.171 2.404 1.00 0.00 H ATOM 316 HG3 PRO A 18 5.552 6.785 3.786 1.00 0.00 H ATOM 317 HD2 PRO A 18 4.769 4.627 2.380 1.00 0.00 H ATOM 318 HD3 PRO A 18 3.605 5.754 3.104 1.00 0.00 H ATOM 319 N ARG A 19 5.904 6.263 -0.862 1.00 0.00 N ATOM 320 CA ARG A 19 6.784 6.144 -2.017 1.00 0.00 C ATOM 321 C ARG A 19 6.020 5.705 -3.260 1.00 0.00 C ATOM 322 O ARG A 19 6.185 6.278 -4.332 1.00 0.00 O ATOM 323 CB ARG A 19 7.910 5.151 -1.735 1.00 0.00 C ATOM 324 CG ARG A 19 8.974 5.681 -0.789 1.00 0.00 C ATOM 325 CD ARG A 19 10.103 4.680 -0.609 1.00 0.00 C ATOM 326 NE ARG A 19 10.697 4.287 -1.886 1.00 0.00 N ATOM 327 CZ ARG A 19 11.907 3.747 -2.018 1.00 0.00 C ATOM 328 NH1 ARG A 19 12.663 3.521 -0.948 1.00 0.00 N1+ ATOM 329 NH2 ARG A 19 12.354 3.423 -3.224 1.00 0.00 N ATOM 330 H ARG A 19 5.680 5.464 -0.342 1.00 0.00 H ATOM 331 HA ARG A 19 7.218 7.116 -2.202 1.00 0.00 H ATOM 332 HB2 ARG A 19 7.483 4.259 -1.297 1.00 0.00 H ATOM 333 HB3 ARG A 19 8.384 4.890 -2.669 1.00 0.00 H ATOM 334 HG2 ARG A 19 9.378 6.597 -1.193 1.00 0.00 H ATOM 335 HG3 ARG A 19 8.522 5.876 0.173 1.00 0.00 H ATOM 336 HD2 ARG A 19 10.866 5.126 0.010 1.00 0.00 H ATOM 337 HD3 ARG A 19 9.712 3.801 -0.119 1.00 0.00 H ATOM 338 HE ARG A 19 10.160 4.437 -2.697 1.00 0.00 H ATOM 339 HH11 ARG A 19 12.327 3.755 -0.031 1.00 0.00 H ATOM 340 HH12 ARG A 19 13.580 3.126 -1.054 1.00 0.00 H ATOM 341 HH21 ARG A 19 11.779 3.581 -4.033 1.00 0.00 H ATOM 342 HH22 ARG A 19 13.270 3.022 -3.339 1.00 0.00 H ATOM 343 N CYS A 20 5.182 4.687 -3.114 1.00 0.00 N ATOM 344 CA CYS A 20 4.481 4.117 -4.261 1.00 0.00 C ATOM 345 C CYS A 20 3.150 4.817 -4.507 1.00 0.00 C ATOM 346 O CYS A 20 2.621 4.805 -5.618 1.00 0.00 O ATOM 347 CB CYS A 20 4.231 2.621 -4.049 1.00 0.00 C ATOM 348 SG CYS A 20 5.719 1.626 -3.818 1.00 0.00 S ATOM 349 H CYS A 20 5.027 4.319 -2.222 1.00 0.00 H ATOM 350 HA CYS A 20 5.107 4.251 -5.127 1.00 0.00 H ATOM 351 HB2 CYS A 20 3.618 2.492 -3.171 1.00 0.00 H ATOM 352 HB3 CYS A 20 3.705 2.230 -4.906 1.00 0.00 H ATOM 353 N LEU A 21 2.628 5.425 -3.447 1.00 0.00 N ATOM 354 CA LEU A 21 1.297 6.031 -3.437 1.00 0.00 C ATOM 355 C LEU A 21 0.228 4.966 -3.624 1.00 0.00 C ATOM 356 O LEU A 21 -0.927 5.267 -3.940 1.00 0.00 O ATOM 357 CB LEU A 21 1.161 7.134 -4.491 1.00 0.00 C ATOM 358 CG LEU A 21 2.203 8.255 -4.407 1.00 0.00 C ATOM 359 CD1 LEU A 21 1.670 9.511 -5.061 1.00 0.00 C ATOM 360 CD2 LEU A 21 2.606 8.530 -2.966 1.00 0.00 C ATOM 361 H LEU A 21 3.168 5.484 -2.629 1.00 0.00 H ATOM 362 HA LEU A 21 1.159 6.473 -2.460 1.00 0.00 H ATOM 363 HB2 LEU A 21 1.232 6.677 -5.468 1.00 0.00 H ATOM 364 HB3 LEU A 21 0.181 7.577 -4.392 1.00 0.00 H ATOM 365 HG LEU A 21 3.087 7.952 -4.949 1.00 0.00 H ATOM 366 HD11 LEU A 21 2.408 10.295 -4.989 1.00 0.00 H ATOM 367 HD12 LEU A 21 0.766 9.820 -4.555 1.00 0.00 H ATOM 368 HD13 LEU A 21 1.453 9.313 -6.099 1.00 0.00 H ATOM 369 HD21 LEU A 21 3.295 9.361 -2.938 1.00 0.00 H ATOM 370 HD22 LEU A 21 3.085 7.651 -2.556 1.00 0.00 H ATOM 371 HD23 LEU A 21 1.728 8.769 -2.383 1.00 0.00 H ATOM 372 N VAL A 22 0.625 3.716 -3.405 1.00 0.00 N ATOM 373 CA VAL A 22 -0.284 2.598 -3.500 1.00 0.00 C ATOM 374 C VAL A 22 -1.101 2.499 -2.220 1.00 0.00 C ATOM 375 O VAL A 22 -0.560 2.408 -1.111 1.00 0.00 O ATOM 376 CB VAL A 22 0.459 1.264 -3.789 1.00 0.00 C ATOM 377 CG1 VAL A 22 1.367 0.852 -2.637 1.00 0.00 C ATOM 378 CG2 VAL A 22 -0.532 0.158 -4.106 1.00 0.00 C ATOM 379 H VAL A 22 1.552 3.550 -3.173 1.00 0.00 H ATOM 380 HA VAL A 22 -0.955 2.794 -4.323 1.00 0.00 H ATOM 381 HB VAL A 22 1.079 1.411 -4.661 1.00 0.00 H ATOM 382 HG11 VAL A 22 0.765 0.627 -1.769 1.00 0.00 H ATOM 383 HG12 VAL A 22 2.044 1.659 -2.406 1.00 0.00 H ATOM 384 HG13 VAL A 22 1.935 -0.024 -2.918 1.00 0.00 H ATOM 385 HG21 VAL A 22 -0.001 -0.770 -4.258 1.00 0.00 H ATOM 386 HG22 VAL A 22 -1.077 0.412 -5.002 1.00 0.00 H ATOM 387 HG23 VAL A 22 -1.222 0.047 -3.282 1.00 0.00 H ATOM 388 N GLN A 23 -2.400 2.575 -2.382 1.00 0.00 N ATOM 389 CA GLN A 23 -3.321 2.559 -1.263 1.00 0.00 C ATOM 390 C GLN A 23 -3.598 1.127 -0.825 1.00 0.00 C ATOM 391 O GLN A 23 -4.420 0.424 -1.406 1.00 0.00 O ATOM 392 CB GLN A 23 -4.599 3.297 -1.658 1.00 0.00 C ATOM 393 CG GLN A 23 -4.348 4.772 -1.938 1.00 0.00 C ATOM 394 CD GLN A 23 -5.501 5.476 -2.627 1.00 0.00 C ATOM 395 OE1 GLN A 23 -5.292 6.436 -3.371 1.00 0.00 O ATOM 396 NE2 GLN A 23 -6.715 5.012 -2.400 1.00 0.00 N ATOM 397 H GLN A 23 -2.756 2.643 -3.293 1.00 0.00 H ATOM 398 HA GLN A 23 -2.854 3.082 -0.441 1.00 0.00 H ATOM 399 HB2 GLN A 23 -5.008 2.840 -2.546 1.00 0.00 H ATOM 400 HB3 GLN A 23 -5.317 3.219 -0.854 1.00 0.00 H ATOM 401 HG2 GLN A 23 -4.161 5.272 -1.000 1.00 0.00 H ATOM 402 HG3 GLN A 23 -3.471 4.857 -2.564 1.00 0.00 H ATOM 403 HE21 GLN A 23 -6.812 4.238 -1.807 1.00 0.00 H ATOM 404 HE22 GLN A 23 -7.475 5.471 -2.824 1.00 0.00 H ATOM 405 N THR A 24 -2.881 0.701 0.199 1.00 0.00 N ATOM 406 CA THR A 24 -2.947 -0.668 0.677 1.00 0.00 C ATOM 407 C THR A 24 -4.017 -0.824 1.753 1.00 0.00 C ATOM 408 O THR A 24 -4.436 0.153 2.368 1.00 0.00 O ATOM 409 CB THR A 24 -1.579 -1.113 1.232 1.00 0.00 C ATOM 410 OG1 THR A 24 -0.983 -0.050 1.982 1.00 0.00 O ATOM 411 CG2 THR A 24 -0.643 -1.524 0.110 1.00 0.00 C ATOM 412 H THR A 24 -2.305 1.339 0.664 1.00 0.00 H ATOM 413 HA THR A 24 -3.195 -1.303 -0.161 1.00 0.00 H ATOM 414 HB THR A 24 -1.730 -1.962 1.882 1.00 0.00 H ATOM 415 HG1 THR A 24 -0.496 0.529 1.387 1.00 0.00 H ATOM 416 HG21 THR A 24 -0.454 -0.679 -0.535 1.00 0.00 H ATOM 417 HG22 THR A 24 -1.096 -2.321 -0.459 1.00 0.00 H ATOM 418 HG23 THR A 24 0.290 -1.869 0.531 1.00 0.00 H ATOM 419 N CYS A 25 -4.467 -2.056 1.963 1.00 0.00 N ATOM 420 CA CYS A 25 -5.502 -2.333 2.949 1.00 0.00 C ATOM 421 C CYS A 25 -4.896 -2.440 4.343 1.00 0.00 C ATOM 422 O CYS A 25 -5.533 -2.098 5.337 1.00 0.00 O ATOM 423 CB CYS A 25 -6.253 -3.628 2.597 1.00 0.00 C ATOM 424 SG CYS A 25 -5.255 -5.135 2.702 1.00 0.00 S ATOM 425 H CYS A 25 -4.101 -2.790 1.436 1.00 0.00 H ATOM 426 HA CYS A 25 -6.199 -1.509 2.937 1.00 0.00 H ATOM 427 HB2 CYS A 25 -7.089 -3.745 3.266 1.00 0.00 H ATOM 428 HB3 CYS A 25 -6.623 -3.551 1.587 1.00 0.00 H ATOM 429 N SER A 26 -3.654 -2.910 4.410 1.00 0.00 N ATOM 430 CA SER A 26 -2.976 -3.103 5.685 1.00 0.00 C ATOM 431 C SER A 26 -1.471 -3.170 5.470 1.00 0.00 C ATOM 432 O SER A 26 -1.026 -3.303 4.325 1.00 0.00 O ATOM 433 CB SER A 26 -3.461 -4.389 6.370 1.00 0.00 C ATOM 434 OG SER A 26 -4.858 -4.354 6.609 1.00 0.00 O ATOM 435 H SER A 26 -3.172 -3.118 3.577 1.00 0.00 H ATOM 436 HA SER A 26 -3.205 -2.256 6.317 1.00 0.00 H ATOM 437 HB2 SER A 26 -3.242 -5.235 5.736 1.00 0.00 H ATOM 438 HB3 SER A 26 -2.951 -4.507 7.313 1.00 0.00 H ATOM 439 HG SER A 26 -5.188 -3.457 6.440 1.00 0.00 H ATOM 440 N LEU A 27 -0.695 -3.103 6.552 1.00 0.00 N ATOM 441 CA LEU A 27 0.762 -3.184 6.455 1.00 0.00 C ATOM 442 C LEU A 27 1.189 -4.480 5.770 1.00 0.00 C ATOM 443 O LEU A 27 2.225 -4.532 5.106 1.00 0.00 O ATOM 444 CB LEU A 27 1.412 -3.091 7.839 1.00 0.00 C ATOM 445 CG LEU A 27 1.330 -1.722 8.514 1.00 0.00 C ATOM 446 CD1 LEU A 27 1.908 -1.793 9.918 1.00 0.00 C ATOM 447 CD2 LEU A 27 2.065 -0.673 7.691 1.00 0.00 C ATOM 448 H LEU A 27 -1.111 -2.997 7.436 1.00 0.00 H ATOM 449 HA LEU A 27 1.094 -2.348 5.858 1.00 0.00 H ATOM 450 HB2 LEU A 27 0.937 -3.815 8.483 1.00 0.00 H ATOM 451 HB3 LEU A 27 2.454 -3.355 7.740 1.00 0.00 H ATOM 452 HG LEU A 27 0.294 -1.425 8.592 1.00 0.00 H ATOM 453 HD11 LEU A 27 1.359 -2.519 10.496 1.00 0.00 H ATOM 454 HD12 LEU A 27 1.830 -0.825 10.387 1.00 0.00 H ATOM 455 HD13 LEU A 27 2.946 -2.085 9.866 1.00 0.00 H ATOM 456 HD21 LEU A 27 2.038 0.274 8.209 1.00 0.00 H ATOM 457 HD22 LEU A 27 1.587 -0.569 6.728 1.00 0.00 H ATOM 458 HD23 LEU A 27 3.092 -0.978 7.552 1.00 0.00 H ATOM 459 N GLU A 28 0.367 -5.516 5.927 1.00 0.00 N ATOM 460 CA GLU A 28 0.592 -6.805 5.278 1.00 0.00 C ATOM 461 C GLU A 28 0.817 -6.624 3.774 1.00 0.00 C ATOM 462 O GLU A 28 1.689 -7.255 3.181 1.00 0.00 O ATOM 463 CB GLU A 28 -0.616 -7.717 5.516 1.00 0.00 C ATOM 464 CG GLU A 28 -0.391 -9.166 5.112 1.00 0.00 C ATOM 465 CD GLU A 28 0.665 -9.850 5.957 1.00 0.00 C ATOM 466 OE1 GLU A 28 0.475 -9.948 7.184 1.00 0.00 O ATOM 467 OE2 GLU A 28 1.683 -10.303 5.396 1.00 0.00 O1- ATOM 468 H GLU A 28 -0.410 -5.413 6.517 1.00 0.00 H ATOM 469 HA GLU A 28 1.468 -7.256 5.715 1.00 0.00 H ATOM 470 HB2 GLU A 28 -0.865 -7.695 6.565 1.00 0.00 H ATOM 471 HB3 GLU A 28 -1.454 -7.337 4.950 1.00 0.00 H ATOM 472 HG2 GLU A 28 -1.320 -9.707 5.220 1.00 0.00 H ATOM 473 HG3 GLU A 28 -0.078 -9.193 4.079 1.00 0.00 H ATOM 474 N CYS A 29 0.037 -5.737 3.176 1.00 0.00 N ATOM 475 CA CYS A 29 0.146 -5.458 1.757 1.00 0.00 C ATOM 476 C CYS A 29 1.140 -4.329 1.500 1.00 0.00 C ATOM 477 O CYS A 29 1.704 -4.226 0.413 1.00 0.00 O ATOM 478 CB CYS A 29 -1.221 -5.088 1.197 1.00 0.00 C ATOM 479 SG CYS A 29 -2.294 -6.491 0.807 1.00 0.00 S ATOM 480 H CYS A 29 -0.620 -5.242 3.708 1.00 0.00 H ATOM 481 HA CYS A 29 0.496 -6.355 1.267 1.00 0.00 H ATOM 482 HB2 CYS A 29 -1.739 -4.484 1.927 1.00 0.00 H ATOM 483 HB3 CYS A 29 -1.092 -4.509 0.300 1.00 0.00 H ATOM 484 N SER A 30 1.349 -3.483 2.499 1.00 0.00 N ATOM 485 CA SER A 30 2.290 -2.382 2.376 1.00 0.00 C ATOM 486 C SER A 30 3.709 -2.918 2.233 1.00 0.00 C ATOM 487 O SER A 30 4.519 -2.372 1.489 1.00 0.00 O ATOM 488 CB SER A 30 2.193 -1.464 3.596 1.00 0.00 C ATOM 489 OG SER A 30 0.842 -1.139 3.885 1.00 0.00 O ATOM 490 H SER A 30 0.861 -3.600 3.343 1.00 0.00 H ATOM 491 HA SER A 30 2.036 -1.820 1.489 1.00 0.00 H ATOM 492 HB2 SER A 30 2.623 -1.961 4.452 1.00 0.00 H ATOM 493 HB3 SER A 30 2.737 -0.550 3.400 1.00 0.00 H ATOM 494 HG SER A 30 0.429 -0.739 3.112 1.00 0.00 H ATOM 495 N LYS A 31 3.998 -4.007 2.936 1.00 0.00 N ATOM 496 CA LYS A 31 5.319 -4.619 2.885 1.00 0.00 C ATOM 497 C LYS A 31 5.407 -5.627 1.743 1.00 0.00 C ATOM 498 O LYS A 31 6.487 -6.128 1.425 1.00 0.00 O ATOM 499 CB LYS A 31 5.645 -5.296 4.219 1.00 0.00 C ATOM 500 CG LYS A 31 4.770 -6.499 4.535 1.00 0.00 C ATOM 501 CD LYS A 31 5.096 -7.074 5.903 1.00 0.00 C ATOM 502 CE LYS A 31 4.237 -8.286 6.220 1.00 0.00 C ATOM 503 NZ LYS A 31 4.468 -8.785 7.600 1.00 0.00 N1+ ATOM 504 H LYS A 31 3.305 -4.405 3.511 1.00 0.00 H ATOM 505 HA LYS A 31 6.036 -3.834 2.707 1.00 0.00 H ATOM 506 HB2 LYS A 31 6.674 -5.621 4.202 1.00 0.00 H ATOM 507 HB3 LYS A 31 5.519 -4.573 5.011 1.00 0.00 H ATOM 508 HG2 LYS A 31 3.734 -6.195 4.521 1.00 0.00 H ATOM 509 HG3 LYS A 31 4.936 -7.260 3.786 1.00 0.00 H ATOM 510 HD2 LYS A 31 6.135 -7.369 5.921 1.00 0.00 H ATOM 511 HD3 LYS A 31 4.923 -6.316 6.650 1.00 0.00 H ATOM 512 HE2 LYS A 31 3.198 -8.013 6.117 1.00 0.00 H ATOM 513 HE3 LYS A 31 4.472 -9.072 5.518 1.00 0.00 H ATOM 514 HZ1 LYS A 31 5.469 -9.035 7.727 1.00 0.00 H ATOM 515 HZ2 LYS A 31 3.889 -9.628 7.778 1.00 0.00 H ATOM 516 HZ3 LYS A 31 4.215 -8.053 8.293 1.00 0.00 H ATOM 517 N LYS A 32 4.271 -5.898 1.114 1.00 0.00 N ATOM 518 CA LYS A 32 4.201 -6.879 0.041 1.00 0.00 C ATOM 519 C LYS A 32 5.035 -6.434 -1.152 1.00 0.00 C ATOM 520 O LYS A 32 5.793 -7.218 -1.724 1.00 0.00 O ATOM 521 CB LYS A 32 2.752 -7.091 -0.396 1.00 0.00 C ATOM 522 CG LYS A 32 2.578 -8.202 -1.416 1.00 0.00 C ATOM 523 CD LYS A 32 2.893 -9.561 -0.816 1.00 0.00 C ATOM 524 CE LYS A 32 2.751 -10.668 -1.846 1.00 0.00 C ATOM 525 NZ LYS A 32 1.347 -10.825 -2.306 1.00 0.00 N1+ ATOM 526 H LYS A 32 3.458 -5.419 1.376 1.00 0.00 H ATOM 527 HA LYS A 32 4.596 -7.810 0.416 1.00 0.00 H ATOM 528 HB2 LYS A 32 2.158 -7.329 0.471 1.00 0.00 H ATOM 529 HB3 LYS A 32 2.383 -6.174 -0.833 1.00 0.00 H ATOM 530 HG2 LYS A 32 1.557 -8.203 -1.767 1.00 0.00 H ATOM 531 HG3 LYS A 32 3.246 -8.022 -2.246 1.00 0.00 H ATOM 532 HD2 LYS A 32 3.906 -9.554 -0.445 1.00 0.00 H ATOM 533 HD3 LYS A 32 2.209 -9.748 -0.001 1.00 0.00 H ATOM 534 HE2 LYS A 32 3.372 -10.429 -2.696 1.00 0.00 H ATOM 535 HE3 LYS A 32 3.084 -11.595 -1.406 1.00 0.00 H ATOM 536 HZ1 LYS A 32 1.030 -9.963 -2.793 1.00 0.00 H ATOM 537 HZ2 LYS A 32 0.723 -10.995 -1.494 1.00 0.00 H ATOM 538 HZ3 LYS A 32 1.270 -11.629 -2.961 1.00 0.00 H ATOM 539 N HIS A 33 4.903 -5.168 -1.522 1.00 0.00 N ATOM 540 CA HIS A 33 5.637 -4.643 -2.665 1.00 0.00 C ATOM 541 C HIS A 33 7.096 -4.378 -2.299 1.00 0.00 C ATOM 542 O HIS A 33 7.947 -4.222 -3.171 1.00 0.00 O ATOM 543 CB HIS A 33 4.976 -3.366 -3.223 1.00 0.00 C ATOM 544 CG HIS A 33 4.957 -2.180 -2.294 1.00 0.00 C ATOM 545 ND1 HIS A 33 3.823 -1.479 -1.968 1.00 0.00 N ATOM 546 CD2 HIS A 33 5.972 -1.558 -1.652 1.00 0.00 C ATOM 547 CE1 HIS A 33 4.182 -0.466 -1.162 1.00 0.00 C ATOM 548 NE2 HIS A 33 5.488 -0.462 -0.943 1.00 0.00 N ATOM 549 H HIS A 33 4.298 -4.579 -1.019 1.00 0.00 H ATOM 550 HA HIS A 33 5.612 -5.402 -3.432 1.00 0.00 H ATOM 551 HB2 HIS A 33 5.505 -3.067 -4.112 1.00 0.00 H ATOM 552 HB3 HIS A 33 3.952 -3.594 -3.486 1.00 0.00 H ATOM 553 HD1 HIS A 33 2.911 -1.682 -2.276 1.00 0.00 H ATOM 554 HD2 HIS A 33 7.003 -1.856 -1.682 1.00 0.00 H ATOM 555 HE1 HIS A 33 3.487 0.231 -0.720 1.00 0.00 H ATOM 556 N LYS A 34 7.385 -4.355 -1.006 1.00 0.00 N ATOM 557 CA LYS A 34 8.714 -4.004 -0.530 1.00 0.00 C ATOM 558 C LYS A 34 9.681 -5.157 -0.732 1.00 0.00 C ATOM 559 O LYS A 34 10.860 -4.949 -1.008 1.00 0.00 O ATOM 560 CB LYS A 34 8.670 -3.617 0.949 1.00 0.00 C ATOM 561 CG LYS A 34 7.754 -2.443 1.246 1.00 0.00 C ATOM 562 CD LYS A 34 7.825 -2.037 2.708 1.00 0.00 C ATOM 563 CE LYS A 34 6.794 -0.972 3.035 1.00 0.00 C ATOM 564 NZ LYS A 34 6.854 -0.561 4.460 1.00 0.00 N1+ ATOM 565 H LYS A 34 6.690 -4.592 -0.354 1.00 0.00 H ATOM 566 HA LYS A 34 9.057 -3.157 -1.104 1.00 0.00 H ATOM 567 HB2 LYS A 34 8.326 -4.466 1.520 1.00 0.00 H ATOM 568 HB3 LYS A 34 9.668 -3.358 1.269 1.00 0.00 H ATOM 569 HG2 LYS A 34 8.051 -1.604 0.635 1.00 0.00 H ATOM 570 HG3 LYS A 34 6.738 -2.722 1.007 1.00 0.00 H ATOM 571 HD2 LYS A 34 7.644 -2.904 3.325 1.00 0.00 H ATOM 572 HD3 LYS A 34 8.811 -1.646 2.915 1.00 0.00 H ATOM 573 HE2 LYS A 34 6.976 -0.110 2.412 1.00 0.00 H ATOM 574 HE3 LYS A 34 5.809 -1.364 2.822 1.00 0.00 H ATOM 575 HZ1 LYS A 34 6.120 0.146 4.662 1.00 0.00 H ATOM 576 HZ2 LYS A 34 7.785 -0.150 4.677 1.00 0.00 H ATOM 577 HZ3 LYS A 34 6.703 -1.384 5.077 1.00 0.00 H ATOM 578 N THR A 35 9.169 -6.372 -0.624 1.00 0.00 N ATOM 579 CA THR A 35 10.006 -7.554 -0.701 1.00 0.00 C ATOM 580 C THR A 35 10.414 -7.868 -2.139 1.00 0.00 C ATOM 581 O THR A 35 11.341 -8.644 -2.370 1.00 0.00 O ATOM 582 CB THR A 35 9.296 -8.776 -0.085 1.00 0.00 C ATOM 583 OG1 THR A 35 10.228 -9.852 0.080 1.00 0.00 O ATOM 584 CG2 THR A 35 8.135 -9.239 -0.955 1.00 0.00 C ATOM 585 H THR A 35 8.204 -6.475 -0.479 1.00 0.00 H ATOM 586 HA THR A 35 10.899 -7.360 -0.124 1.00 0.00 H ATOM 587 HB THR A 35 8.905 -8.491 0.881 1.00 0.00 H ATOM 588 HG1 THR A 35 10.899 -9.805 -0.620 1.00 0.00 H ATOM 589 HG21 THR A 35 7.391 -8.459 -1.009 1.00 0.00 H ATOM 590 HG22 THR A 35 7.696 -10.127 -0.528 1.00 0.00 H ATOM 591 HG23 THR A 35 8.496 -9.459 -1.949 1.00 0.00 H ATOM 592 N ARG A 36 9.741 -7.253 -3.104 1.00 0.00 N ATOM 593 CA ARG A 36 9.999 -7.555 -4.506 1.00 0.00 C ATOM 594 C ARG A 36 10.409 -6.313 -5.296 1.00 0.00 C ATOM 595 O ARG A 36 10.764 -6.411 -6.470 1.00 0.00 O ATOM 596 CB ARG A 36 8.763 -8.202 -5.140 1.00 0.00 C ATOM 597 CG ARG A 36 7.496 -7.373 -5.002 1.00 0.00 C ATOM 598 CD ARG A 36 6.318 -8.032 -5.704 1.00 0.00 C ATOM 599 NE ARG A 36 6.006 -9.347 -5.142 1.00 0.00 N ATOM 600 CZ ARG A 36 4.976 -10.102 -5.529 1.00 0.00 C ATOM 601 NH1 ARG A 36 4.169 -9.697 -6.502 1.00 0.00 N1+ ATOM 602 NH2 ARG A 36 4.765 -11.276 -4.952 1.00 0.00 N ATOM 603 H ARG A 36 9.060 -6.589 -2.869 1.00 0.00 H ATOM 604 HA ARG A 36 10.812 -8.264 -4.540 1.00 0.00 H ATOM 605 HB2 ARG A 36 8.954 -8.357 -6.190 1.00 0.00 H ATOM 606 HB3 ARG A 36 8.593 -9.159 -4.669 1.00 0.00 H ATOM 607 HG2 ARG A 36 7.263 -7.263 -3.952 1.00 0.00 H ATOM 608 HG3 ARG A 36 7.667 -6.399 -5.438 1.00 0.00 H ATOM 609 HD2 ARG A 36 5.452 -7.395 -5.601 1.00 0.00 H ATOM 610 HD3 ARG A 36 6.556 -8.145 -6.751 1.00 0.00 H ATOM 611 HE ARG A 36 6.600 -9.688 -4.434 1.00 0.00 H ATOM 612 HH11 ARG A 36 4.330 -8.819 -6.960 1.00 0.00 H ATOM 613 HH12 ARG A 36 3.396 -10.269 -6.784 1.00 0.00 H ATOM 614 HH21 ARG A 36 5.378 -11.599 -4.226 1.00 0.00 H ATOM 615 HH22 ARG A 36 3.994 -11.852 -5.244 1.00 0.00 H ATOM 616 N ASP A 37 10.375 -5.149 -4.660 1.00 0.00 N ATOM 617 CA ASP A 37 10.714 -3.906 -5.353 1.00 0.00 C ATOM 618 C ASP A 37 11.707 -3.071 -4.543 1.00 0.00 C ATOM 619 O ASP A 37 12.110 -1.987 -4.961 1.00 0.00 O ATOM 620 CB ASP A 37 9.439 -3.102 -5.648 1.00 0.00 C ATOM 621 CG ASP A 37 9.686 -1.886 -6.519 1.00 0.00 C ATOM 622 OD1 ASP A 37 10.102 -2.055 -7.687 1.00 0.00 O ATOM 623 OD2 ASP A 37 9.444 -0.755 -6.050 1.00 0.00 O1- ATOM 624 H ASP A 37 10.111 -5.120 -3.718 1.00 0.00 H ATOM 625 HA ASP A 37 11.178 -4.174 -6.291 1.00 0.00 H ATOM 626 HB2 ASP A 37 8.732 -3.741 -6.152 1.00 0.00 H ATOM 627 HB3 ASP A 37 9.011 -2.771 -4.712 1.00 0.00 H ATOM 628 N ASN A 38 12.115 -3.602 -3.389 1.00 0.00 N ATOM 629 CA ASN A 38 13.083 -2.939 -2.508 1.00 0.00 C ATOM 630 C ASN A 38 12.575 -1.586 -2.015 1.00 0.00 C ATOM 631 O ASN A 38 13.363 -0.680 -1.737 1.00 0.00 O ATOM 632 CB ASN A 38 14.438 -2.758 -3.204 1.00 0.00 C ATOM 633 CG ASN A 38 15.128 -4.072 -3.509 1.00 0.00 C ATOM 634 OD1 ASN A 38 15.840 -4.620 -2.669 1.00 0.00 O ATOM 635 ND2 ASN A 38 14.941 -4.578 -4.718 1.00 0.00 N ATOM 636 H ASN A 38 11.771 -4.479 -3.124 1.00 0.00 H ATOM 637 HA ASN A 38 13.224 -3.579 -1.649 1.00 0.00 H ATOM 638 HB2 ASN A 38 14.289 -2.231 -4.134 1.00 0.00 H ATOM 639 HB3 ASN A 38 15.082 -2.176 -2.565 1.00 0.00 H ATOM 640 HD21 ASN A 38 14.373 -4.085 -5.344 1.00 0.00 H ATOM 641 HD22 ASN A 38 15.384 -5.426 -4.940 1.00 0.00 H ATOM 642 N CYS A 39 11.263 -1.446 -1.904 1.00 0.00 N ATOM 643 CA CYS A 39 10.678 -0.217 -1.392 1.00 0.00 C ATOM 644 C CYS A 39 10.771 -0.194 0.128 1.00 0.00 C ATOM 645 O CYS A 39 10.710 -1.238 0.780 1.00 0.00 O ATOM 646 CB CYS A 39 9.216 -0.084 -1.830 1.00 0.00 C ATOM 647 SG CYS A 39 8.418 1.437 -1.259 1.00 0.00 S ATOM 648 H CYS A 39 10.677 -2.183 -2.169 1.00 0.00 H ATOM 649 HA CYS A 39 11.245 0.613 -1.790 1.00 0.00 H ATOM 650 HB2 CYS A 39 9.166 -0.097 -2.909 1.00 0.00 H ATOM 651 HB3 CYS A 39 8.656 -0.917 -1.437 1.00 0.00 H ATOM 652 N SER A 40 10.943 0.994 0.686 1.00 0.00 N ATOM 653 CA SER A 40 10.994 1.157 2.128 1.00 0.00 C ATOM 654 C SER A 40 9.621 1.524 2.677 1.00 0.00 C ATOM 655 O SER A 40 9.289 1.227 3.823 1.00 0.00 O ATOM 656 CB SER A 40 12.011 2.235 2.500 1.00 0.00 C ATOM 657 OG SER A 40 11.795 3.423 1.749 1.00 0.00 O ATOM 658 H SER A 40 11.048 1.780 0.113 1.00 0.00 H ATOM 659 HA SER A 40 11.301 0.216 2.560 1.00 0.00 H ATOM 660 HB2 SER A 40 11.919 2.465 3.550 1.00 0.00 H ATOM 661 HB3 SER A 40 13.004 1.876 2.301 1.00 0.00 H ATOM 662 HG SER A 40 12.258 4.156 2.180 1.00 0.00 H ATOM 663 N GLY A 41 8.816 2.154 1.825 1.00 0.00 N ATOM 664 CA GLY A 41 7.517 2.636 2.244 1.00 0.00 C ATOM 665 C GLY A 41 7.625 3.791 3.214 1.00 0.00 C ATOM 666 O GLY A 41 6.809 3.925 4.120 1.00 0.00 O ATOM 667 H GLY A 41 9.107 2.278 0.898 1.00 0.00 H ATOM 668 HA2 GLY A 41 6.966 2.959 1.373 1.00 0.00 H ATOM 669 HA3 GLY A 41 6.980 1.831 2.719 1.00 0.00 H ATOM 670 N GLN A 42 8.627 4.633 3.015 1.00 0.00 N ATOM 671 CA GLN A 42 8.877 5.749 3.906 1.00 0.00 C ATOM 672 C GLN A 42 9.597 6.845 3.140 1.00 0.00 C ATOM 673 O GLN A 42 10.401 6.556 2.251 1.00 0.00 O ATOM 674 CB GLN A 42 9.700 5.289 5.114 1.00 0.00 C ATOM 675 CG GLN A 42 11.101 4.819 4.770 1.00 0.00 C ATOM 676 CD GLN A 42 11.756 4.074 5.916 1.00 0.00 C ATOM 677 OE1 GLN A 42 11.077 3.425 6.717 1.00 0.00 O ATOM 678 NE2 GLN A 42 13.074 4.154 6.000 1.00 0.00 N ATOM 679 H GLN A 42 9.209 4.516 2.237 1.00 0.00 H ATOM 680 HA GLN A 42 7.923 6.125 4.245 1.00 0.00 H ATOM 681 HB2 GLN A 42 9.783 6.107 5.811 1.00 0.00 H ATOM 682 HB3 GLN A 42 9.182 4.472 5.592 1.00 0.00 H ATOM 683 HG2 GLN A 42 11.045 4.162 3.914 1.00 0.00 H ATOM 684 HG3 GLN A 42 11.705 5.678 4.524 1.00 0.00 H ATOM 685 HE21 GLN A 42 13.551 4.683 5.324 1.00 0.00 H ATOM 686 HE22 GLN A 42 13.521 3.684 6.735 1.00 0.00 H ATOM 687 N THR A 43 9.292 8.088 3.457 1.00 0.00 N ATOM 688 CA THR A 43 9.870 9.205 2.737 1.00 0.00 C ATOM 689 C THR A 43 10.580 10.177 3.675 1.00 0.00 C ATOM 690 O THR A 43 9.940 11.003 4.330 1.00 0.00 O ATOM 691 CB THR A 43 8.792 9.961 1.936 1.00 0.00 C ATOM 692 OG1 THR A 43 7.622 10.155 2.749 1.00 0.00 O ATOM 693 CG2 THR A 43 8.425 9.205 0.669 1.00 0.00 C ATOM 694 H THR A 43 8.660 8.260 4.187 1.00 0.00 H ATOM 695 HA THR A 43 10.588 8.804 2.039 1.00 0.00 H ATOM 696 HB THR A 43 9.188 10.928 1.657 1.00 0.00 H ATOM 697 HG1 THR A 43 7.872 10.630 3.553 1.00 0.00 H ATOM 698 HG21 THR A 43 7.625 9.721 0.161 1.00 0.00 H ATOM 699 HG22 THR A 43 8.104 8.207 0.927 1.00 0.00 H ATOM 700 HG23 THR A 43 9.286 9.149 0.021 1.00 0.00 H ATOM 701 N HIS A 44 11.899 10.067 3.747 1.00 0.00 N ATOM 702 CA HIS A 44 12.697 11.005 4.524 1.00 0.00 C ATOM 703 C HIS A 44 13.086 12.184 3.645 1.00 0.00 C ATOM 704 O HIS A 44 13.141 13.323 4.103 1.00 0.00 O ATOM 705 CB HIS A 44 13.951 10.321 5.079 1.00 0.00 C ATOM 706 CG HIS A 44 14.751 11.171 6.022 1.00 0.00 C ATOM 707 ND1 HIS A 44 15.767 12.009 5.613 1.00 0.00 N ATOM 708 CD2 HIS A 44 14.690 11.295 7.368 1.00 0.00 C ATOM 709 CE1 HIS A 44 16.296 12.603 6.665 1.00 0.00 C ATOM 710 NE2 HIS A 44 15.662 12.190 7.744 1.00 0.00 N ATOM 711 H HIS A 44 12.347 9.336 3.268 1.00 0.00 H ATOM 712 HA HIS A 44 12.092 11.361 5.346 1.00 0.00 H ATOM 713 HB2 HIS A 44 13.658 9.427 5.610 1.00 0.00 H ATOM 714 HB3 HIS A 44 14.593 10.046 4.255 1.00 0.00 H ATOM 715 HD1 HIS A 44 16.054 12.159 4.677 1.00 0.00 H ATOM 716 HD2 HIS A 44 14.001 10.785 8.026 1.00 0.00 H ATOM 717 HE1 HIS A 44 17.110 13.312 6.644 1.00 0.00 H ATOM 718 HE2 HIS A 44 16.003 12.294 8.658 1.00 0.00 H ATOM 719 N ASP A 45 13.353 11.895 2.377 1.00 0.00 N ATOM 720 CA ASP A 45 13.703 12.922 1.404 1.00 0.00 C ATOM 721 C ASP A 45 13.081 12.597 0.057 1.00 0.00 C ATOM 722 O ASP A 45 13.779 12.018 -0.800 1.00 0.00 O ATOM 723 CB ASP A 45 15.222 13.050 1.251 1.00 0.00 C ATOM 724 CG ASP A 45 15.893 13.605 2.487 1.00 0.00 C ATOM 725 OD1 ASP A 45 15.789 14.829 2.729 1.00 0.00 O1- ATOM 726 OD2 ASP A 45 16.517 12.819 3.233 1.00 0.00 O ATOM 727 OXT ASP A 45 11.888 12.904 -0.136 1.00 0.00 O ATOM 728 H ASP A 45 13.305 10.960 2.081 1.00 0.00 H ATOM 729 HA ASP A 45 13.302 13.861 1.755 1.00 0.00 H ATOM 730 HB2 ASP A 45 15.640 12.076 1.047 1.00 0.00 H ATOM 731 HB3 ASP A 45 15.438 13.708 0.421 1.00 0.00 H TER 732 ASP A 45 HETATM 733 ZN ZN A 101 -4.428 -5.664 0.623 1.00 0.00 ZN HETATM 734 ZN ZN A 102 6.145 1.323 -1.580 1.00 0.00 ZN