HETATM 1 C ACE A 0 -2.503 12.585 6.579 1.00 0.00 C HETATM 2 O ACE A 0 -1.546 12.697 5.799 1.00 0.00 O HETATM 3 CH3 ACE A 0 -2.794 13.680 7.578 1.00 0.00 C HETATM 4 H1 ACE A 0 -2.736 13.282 8.592 1.00 0.00 H HETATM 5 H2 ACE A 0 -3.793 14.080 7.410 1.00 0.00 H HETATM 6 H3 ACE A 0 -2.064 14.479 7.451 1.00 0.00 H ATOM 7 N LYS A 1 -3.344 11.537 6.624 1.00 0.00 N ATOM 8 CA LYS A 1 -3.172 10.413 5.711 1.00 0.00 C ATOM 9 C LYS A 1 -3.918 10.745 4.441 1.00 0.00 C ATOM 10 O LYS A 1 -5.007 10.231 4.233 1.00 0.00 O ATOM 11 CB LYS A 1 -3.733 9.128 6.369 1.00 0.00 C ATOM 12 CG LYS A 1 -3.486 7.871 5.488 1.00 0.00 C ATOM 13 CD LYS A 1 -4.736 6.956 5.434 1.00 0.00 C ATOM 14 CE LYS A 1 -5.092 6.357 6.820 1.00 0.00 C ATOM 15 NZ LYS A 1 -6.526 6.010 6.881 1.00 1.00 N ATOM 16 H LYS A 1 -4.125 11.534 7.250 1.00 0.00 H ATOM 17 HA LYS A 1 -2.106 10.233 5.496 1.00 0.00 H ATOM 18 HB2 LYS A 1 -3.241 8.984 7.344 1.00 0.00 H ATOM 19 HB3 LYS A 1 -4.808 9.277 6.547 1.00 0.00 H ATOM 20 HG2 LYS A 1 -3.268 8.169 4.450 1.00 0.00 H ATOM 21 HG3 LYS A 1 -2.624 7.300 5.873 1.00 0.00 H ATOM 22 HD2 LYS A 1 -5.585 7.540 5.038 1.00 0.00 H ATOM 23 HD3 LYS A 1 -4.540 6.125 4.736 1.00 0.00 H ATOM 24 HE2 LYS A 1 -4.474 5.460 6.982 1.00 0.00 H ATOM 25 HE3 LYS A 1 -4.882 7.073 7.631 1.00 0.00 H ATOM 26 HZ1 LYS A 1 -6.815 5.370 6.062 1.00 0.00 H ATOM 27 HZ2 LYS A 1 -7.124 6.907 6.833 1.00 0.00 H ATOM 28 HZ3 LYS A 1 -6.754 5.509 7.812 1.00 0.00 H ATOM 29 N PHE A 2 -3.331 11.610 3.583 1.00 0.00 N ATOM 30 CA PHE A 2 -3.957 11.950 2.305 1.00 0.00 C ATOM 31 C PHE A 2 -3.146 11.327 1.197 1.00 0.00 C ATOM 32 O PHE A 2 -2.981 11.941 0.156 1.00 0.00 O ATOM 33 CB PHE A 2 -4.122 13.488 2.180 1.00 0.00 C ATOM 34 CG PHE A 2 -2.854 14.242 2.602 1.00 0.00 C ATOM 35 CD1 PHE A 2 -1.806 14.446 1.700 1.00 0.00 C ATOM 36 CD2 PHE A 2 -2.735 14.734 3.904 1.00 0.00 C ATOM 37 CE1 PHE A 2 -0.630 15.076 2.110 1.00 0.00 C ATOM 38 CE2 PHE A 2 -1.573 15.394 4.309 1.00 0.00 C ATOM 39 CZ PHE A 2 -0.511 15.552 3.418 1.00 0.00 C ATOM 40 H PHE A 2 -2.422 11.981 3.782 1.00 0.00 H ATOM 41 HA PHE A 2 -4.964 11.513 2.212 1.00 0.00 H ATOM 42 HB2 PHE A 2 -4.408 13.768 1.155 1.00 0.00 H ATOM 43 HB3 PHE A 2 -4.946 13.791 2.842 1.00 0.00 H ATOM 44 HD1 PHE A 2 -1.898 14.120 0.672 1.00 0.00 H ATOM 45 HD2 PHE A 2 -3.543 14.608 4.615 1.00 0.00 H ATOM 46 HE1 PHE A 2 0.193 15.198 1.415 1.00 0.00 H ATOM 47 HE2 PHE A 2 -1.493 15.785 5.317 1.00 0.00 H ATOM 48 HZ PHE A 2 0.401 16.043 3.739 1.00 0.00 H ATOM 49 N GLU A 3 -2.630 10.095 1.399 1.00 0.00 N ATOM 50 CA GLU A 3 -1.759 9.506 0.390 1.00 0.00 C ATOM 51 C GLU A 3 -1.614 8.025 0.704 1.00 0.00 C ATOM 52 O GLU A 3 -0.735 7.665 1.471 1.00 0.00 O ATOM 53 CB GLU A 3 -0.410 10.293 0.426 1.00 0.00 C ATOM 54 CG GLU A 3 0.085 10.723 -0.983 1.00 0.00 C ATOM 55 CD GLU A 3 -0.501 12.053 -1.390 1.00 0.00 C ATOM 56 OE1 GLU A 3 0.011 13.096 -0.899 1.00 -0.50 O ATOM 57 OE2 GLU A 3 -1.466 12.076 -2.201 1.00 -0.50 O ATOM 58 H GLU A 3 -2.793 9.581 2.243 1.00 0.00 H ATOM 59 HA GLU A 3 -2.234 9.630 -0.596 1.00 0.00 H ATOM 60 HB2 GLU A 3 -0.516 11.201 1.041 1.00 0.00 H ATOM 61 HB3 GLU A 3 0.372 9.688 0.906 1.00 0.00 H ATOM 62 HG2 GLU A 3 1.183 10.815 -0.967 1.00 0.00 H ATOM 63 HG3 GLU A 3 -0.174 9.947 -1.717 1.00 0.00 H ATOM 64 N ASP A 4 -2.475 7.139 0.146 1.00 0.00 N ATOM 65 CA ASP A 4 -2.440 5.733 0.547 1.00 0.00 C ATOM 66 C ASP A 4 -2.988 4.835 -0.541 1.00 0.00 C ATOM 67 O ASP A 4 -3.463 5.357 -1.536 1.00 0.00 O ATOM 68 CB ASP A 4 -3.287 5.589 1.839 1.00 0.00 C ATOM 69 CG ASP A 4 -2.453 5.359 3.071 1.00 0.00 C ATOM 70 OD1 ASP A 4 -1.794 6.328 3.529 1.00 -0.50 O ATOM 71 OD2 ASP A 4 -2.458 4.216 3.601 1.00 -0.50 O ATOM 72 H ASP A 4 -3.202 7.430 -0.478 1.00 0.00 H ATOM 73 HA ASP A 4 -1.404 5.411 0.725 1.00 0.00 H ATOM 74 HB2 ASP A 4 -3.901 6.491 1.988 1.00 0.00 H ATOM 75 HB3 ASP A 4 -3.977 4.747 1.722 1.00 0.00 H ATOM 76 N TRP A 5 -2.931 3.491 -0.369 1.00 0.00 N ATOM 77 CA TRP A 5 -3.433 2.586 -1.403 1.00 0.00 C ATOM 78 C TRP A 5 -3.696 1.198 -0.868 1.00 0.00 C ATOM 79 O TRP A 5 -2.969 0.783 0.019 1.00 0.00 O ATOM 80 CB TRP A 5 -2.387 2.431 -2.529 1.00 0.00 C ATOM 81 CG TRP A 5 -1.033 2.098 -1.964 1.00 0.00 C ATOM 82 CD1 TRP A 5 -0.173 2.992 -1.451 1.00 0.00 C ATOM 83 CD2 TRP A 5 -0.362 0.752 -1.877 1.00 0.00 C ATOM 84 NE1 TRP A 5 0.933 2.386 -1.108 1.00 0.00 N ATOM 85 CE2 TRP A 5 0.881 1.067 -1.372 1.00 0.00 C ATOM 86 CE3 TRP A 5 -0.709 -0.567 -2.180 1.00 0.00 C ATOM 87 CZ2 TRP A 5 1.879 0.106 -1.203 1.00 0.00 C ATOM 88 CZ3 TRP A 5 0.292 -1.535 -2.048 1.00 0.00 C ATOM 89 CH2 TRP A 5 1.577 -1.193 -1.610 1.00 0.00 C ATOM 90 H TRP A 5 -2.514 3.093 0.447 1.00 0.00 H ATOM 91 HA TRP A 5 -4.366 2.997 -1.823 1.00 0.00 H ATOM 92 HB2 TRP A 5 -2.700 1.661 -3.249 1.00 0.00 H ATOM 93 HB3 TRP A 5 -2.308 3.388 -3.066 1.00 0.00 H ATOM 94 HD1 TRP A 5 -0.396 4.052 -1.359 1.00 0.00 H ATOM 95 HE1 TRP A 5 1.751 2.859 -0.703 1.00 0.00 H ATOM 96 HE3 TRP A 5 -1.702 -0.811 -2.518 1.00 0.00 H ATOM 97 HZ2 TRP A 5 2.844 0.350 -0.780 1.00 0.00 H ATOM 98 HZ3 TRP A 5 0.105 -2.571 -2.295 1.00 0.00 H ATOM 99 HH2 TRP A 5 2.348 -1.954 -1.609 1.00 0.00 H ATOM 100 N LEU A 6 -4.708 0.475 -1.412 1.00 0.00 N ATOM 101 CA LEU A 6 -4.960 -0.897 -0.970 1.00 0.00 C ATOM 102 C LEU A 6 -4.109 -1.838 -1.787 1.00 0.00 C ATOM 103 O LEU A 6 -4.059 -1.675 -2.995 1.00 0.00 O ATOM 104 CB LEU A 6 -6.444 -1.358 -1.112 1.00 0.00 C ATOM 105 CG LEU A 6 -7.227 -1.325 0.232 1.00 0.00 C ATOM 106 CD1 LEU A 6 -7.348 0.116 0.790 1.00 0.00 C ATOM 107 CD2 LEU A 6 -8.647 -1.932 0.043 1.00 0.00 C ATOM 108 H LEU A 6 -5.256 0.835 -2.172 1.00 0.00 H ATOM 109 HA LEU A 6 -4.679 -0.992 0.089 1.00 0.00 H ATOM 110 HB2 LEU A 6 -6.977 -0.770 -1.879 1.00 0.00 H ATOM 111 HB3 LEU A 6 -6.439 -2.411 -1.448 1.00 0.00 H ATOM 112 HG LEU A 6 -6.691 -1.950 0.969 1.00 0.00 H ATOM 113 HD11 LEU A 6 -7.885 0.753 0.070 1.00 0.00 H ATOM 114 HD12 LEU A 6 -6.357 0.550 0.974 1.00 0.00 H ATOM 115 HD13 LEU A 6 -7.904 0.099 1.740 1.00 0.00 H ATOM 116 HD21 LEU A 6 -8.585 -2.924 -0.442 1.00 0.00 H ATOM 117 HD22 LEU A 6 -9.271 -1.269 -0.581 1.00 0.00 H ATOM 118 HD23 LEU A 6 -9.129 -2.057 1.029 1.00 0.00 H ATOM 119 N CYS A 7 -3.457 -2.831 -1.138 1.00 0.00 N ATOM 120 CA CYS A 7 -2.654 -3.796 -1.887 1.00 0.00 C ATOM 121 C CYS A 7 -3.588 -4.689 -2.655 1.00 0.00 C ATOM 122 O CYS A 7 -4.742 -4.785 -2.271 1.00 0.00 O ATOM 123 CB CYS A 7 -1.760 -4.573 -0.884 1.00 0.00 C ATOM 124 SG CYS A 7 -0.591 -5.782 -1.577 1.00 -1.00 S ATOM 125 H CYS A 7 -3.540 -2.951 -0.146 1.00 0.00 H ATOM 126 HA CYS A 7 -2.030 -3.267 -2.617 1.00 0.00 H ATOM 127 HB2 CYS A 7 -1.179 -3.843 -0.301 1.00 0.00 H ATOM 128 HB3 CYS A 7 -2.404 -5.149 -0.210 1.00 0.00 H ATOM 129 N ASN A 8 -3.094 -5.333 -3.740 1.00 0.00 N ATOM 130 CA ASN A 8 -3.939 -6.229 -4.530 1.00 0.00 C ATOM 131 C ASN A 8 -3.463 -7.637 -4.252 1.00 0.00 C ATOM 132 O ASN A 8 -3.310 -8.441 -5.158 1.00 0.00 O ATOM 133 CB ASN A 8 -3.853 -5.777 -6.017 1.00 0.00 C ATOM 134 CG ASN A 8 -5.212 -5.718 -6.674 1.00 0.00 C ATOM 135 OD1 ASN A 8 -5.999 -6.634 -6.492 1.00 0.00 O ATOM 136 ND2 ASN A 8 -5.524 -4.657 -7.450 1.00 0.00 N ATOM 137 H ASN A 8 -2.131 -5.244 -4.009 1.00 0.00 H ATOM 138 HA ASN A 8 -4.989 -6.164 -4.208 1.00 0.00 H ATOM 139 HB2 ASN A 8 -3.407 -4.770 -6.038 1.00 0.00 H ATOM 140 HB3 ASN A 8 -3.194 -6.437 -6.601 1.00 0.00 H ATOM 141 HD21 ASN A 8 -4.877 -3.910 -7.610 1.00 0.00 H ATOM 142 HD22 ASN A 8 -6.427 -4.610 -7.877 1.00 0.00 H ATOM 143 N LYS A 9 -3.216 -7.915 -2.954 1.00 0.00 N ATOM 144 CA LYS A 9 -2.600 -9.167 -2.528 1.00 0.00 C ATOM 145 C LYS A 9 -3.092 -9.443 -1.117 1.00 0.00 C ATOM 146 O LYS A 9 -3.707 -10.478 -0.922 1.00 0.00 O ATOM 147 CB LYS A 9 -1.059 -8.987 -2.671 1.00 0.00 C ATOM 148 CG LYS A 9 -0.285 -10.246 -3.147 1.00 0.00 C ATOM 149 CD LYS A 9 -0.098 -11.299 -2.027 1.00 0.00 C ATOM 150 CE LYS A 9 0.696 -12.515 -2.576 1.00 0.00 C ATOM 151 NZ LYS A 9 1.067 -13.461 -1.502 1.00 1.00 N ATOM 152 H LYS A 9 -3.385 -7.223 -2.264 1.00 0.00 H ATOM 153 HA LYS A 9 -2.948 -9.976 -3.193 1.00 0.00 H ATOM 154 HB2 LYS A 9 -0.903 -8.215 -3.444 1.00 0.00 H ATOM 155 HB3 LYS A 9 -0.598 -8.629 -1.741 1.00 0.00 H ATOM 156 HG2 LYS A 9 -0.793 -10.691 -4.017 1.00 0.00 H ATOM 157 HG3 LYS A 9 0.722 -9.929 -3.465 1.00 0.00 H ATOM 158 HD2 LYS A 9 0.460 -10.849 -1.190 1.00 0.00 H ATOM 159 HD3 LYS A 9 -1.083 -11.631 -1.661 1.00 0.00 H ATOM 160 HE2 LYS A 9 0.071 -13.030 -3.324 1.00 0.00 H ATOM 161 HE3 LYS A 9 1.620 -12.178 -3.073 1.00 0.00 H ATOM 162 HZ1 LYS A 9 1.210 -14.456 -1.904 1.00 0.00 H ATOM 163 HZ2 LYS A 9 0.305 -13.530 -0.739 1.00 0.00 H ATOM 164 HZ3 LYS A 9 1.994 -13.166 -1.024 1.00 0.00 H ATOM 165 N CYS A 10 -2.864 -8.519 -0.146 1.00 0.00 N ATOM 166 CA CYS A 10 -3.446 -8.638 1.192 1.00 0.00 C ATOM 167 C CYS A 10 -4.468 -7.567 1.530 1.00 0.00 C ATOM 168 O CYS A 10 -4.883 -7.516 2.676 1.00 0.00 O ATOM 169 CB CYS A 10 -2.297 -8.561 2.223 1.00 0.00 C ATOM 170 SG CYS A 10 -1.552 -6.898 2.182 1.00 -1.00 S ATOM 171 H CYS A 10 -2.305 -7.712 -0.324 1.00 0.00 H ATOM 172 HA CYS A 10 -3.935 -9.615 1.318 1.00 0.00 H ATOM 173 HB2 CYS A 10 -2.686 -8.760 3.233 1.00 0.00 H ATOM 174 HB3 CYS A 10 -1.539 -9.317 1.977 1.00 0.00 H ATOM 175 N CYS A 11 -4.903 -6.706 0.584 1.00 0.00 N ATOM 176 CA CYS A 11 -5.949 -5.730 0.881 1.00 0.00 C ATOM 177 C CYS A 11 -5.665 -4.864 2.086 1.00 0.00 C ATOM 178 O CYS A 11 -6.605 -4.524 2.787 1.00 0.00 O ATOM 179 CB CYS A 11 -7.309 -6.459 1.030 1.00 0.00 C ATOM 180 SG CYS A 11 -7.554 -7.608 -0.364 1.00 0.00 S ATOM 181 H CYS A 11 -4.573 -6.749 -0.353 1.00 0.00 H ATOM 182 HA CYS A 11 -6.040 -5.044 0.023 1.00 0.00 H ATOM 183 HB2 CYS A 11 -7.349 -7.029 1.969 1.00 0.00 H ATOM 184 HB3 CYS A 11 -8.130 -5.726 1.023 1.00 0.00 H ATOM 185 HG CYS A 11 -6.866 -8.295 -0.109 1.00 0.00 H ATOM 186 N LEU A 12 -4.387 -4.497 2.335 1.00 0.00 N ATOM 187 CA LEU A 12 -4.046 -3.652 3.478 1.00 0.00 C ATOM 188 C LEU A 12 -3.775 -2.261 2.962 1.00 0.00 C ATOM 189 O LEU A 12 -3.201 -2.144 1.892 1.00 0.00 O ATOM 190 CB LEU A 12 -2.796 -4.261 4.163 1.00 0.00 C ATOM 191 CG LEU A 12 -2.364 -3.650 5.527 1.00 0.00 C ATOM 192 CD1 LEU A 12 -1.832 -2.195 5.448 1.00 0.00 C ATOM 193 CD2 LEU A 12 -3.430 -3.796 6.642 1.00 0.00 C ATOM 194 H LEU A 12 -3.648 -4.775 1.726 1.00 0.00 H ATOM 195 HA LEU A 12 -4.871 -3.654 4.205 1.00 0.00 H ATOM 196 HB2 LEU A 12 -3.015 -5.327 4.338 1.00 0.00 H ATOM 197 HB3 LEU A 12 -1.945 -4.205 3.466 1.00 0.00 H ATOM 198 HG LEU A 12 -1.516 -4.267 5.847 1.00 0.00 H ATOM 199 HD11 LEU A 12 -0.983 -2.061 6.139 1.00 0.00 H ATOM 200 HD12 LEU A 12 -2.613 -1.488 5.750 1.00 0.00 H ATOM 201 HD13 LEU A 12 -1.492 -1.950 4.434 1.00 0.00 H ATOM 202 HD21 LEU A 12 -3.758 -4.843 6.716 1.00 0.00 H ATOM 203 HD22 LEU A 12 -4.305 -3.159 6.450 1.00 0.00 H ATOM 204 HD23 LEU A 12 -2.989 -3.498 7.604 1.00 0.00 H ATOM 205 N ASN A 13 -4.189 -1.205 3.699 1.00 0.00 N ATOM 206 CA ASN A 13 -3.967 0.158 3.227 1.00 0.00 C ATOM 207 C ASN A 13 -2.576 0.633 3.598 1.00 0.00 C ATOM 208 O ASN A 13 -2.321 0.745 4.786 1.00 0.00 O ATOM 209 CB ASN A 13 -5.044 1.062 3.880 1.00 0.00 C ATOM 210 CG ASN A 13 -5.155 2.404 3.206 1.00 0.00 C ATOM 211 OD1 ASN A 13 -4.856 2.510 2.028 1.00 0.00 O ATOM 212 ND2 ASN A 13 -5.612 3.446 3.931 1.00 0.00 N ATOM 213 H ASN A 13 -4.659 -1.340 4.573 1.00 0.00 H ATOM 214 HA ASN A 13 -4.128 0.174 2.144 1.00 0.00 H ATOM 215 HB2 ASN A 13 -6.025 0.578 3.763 1.00 0.00 H ATOM 216 HB3 ASN A 13 -4.835 1.166 4.956 1.00 0.00 H ATOM 217 HD21 ASN A 13 -5.850 3.339 4.896 1.00 0.00 H ATOM 218 HD22 ASN A 13 -5.732 4.337 3.494 1.00 0.00 H ATOM 219 N ASN A 14 -1.667 0.913 2.630 1.00 0.00 N ATOM 220 CA ASN A 14 -0.286 1.272 2.966 1.00 0.00 C ATOM 221 C ASN A 14 -0.013 2.689 2.531 1.00 0.00 C ATOM 222 O ASN A 14 -0.746 3.175 1.686 1.00 0.00 O ATOM 223 CB ASN A 14 0.726 0.346 2.251 1.00 0.00 C ATOM 224 CG ASN A 14 0.310 -1.089 2.435 1.00 0.00 C ATOM 225 OD1 ASN A 14 0.805 -1.732 3.347 1.00 0.00 O ATOM 226 ND2 ASN A 14 -0.609 -1.612 1.595 1.00 0.00 N ATOM 227 H ASN A 14 -1.915 0.892 1.663 1.00 0.00 H ATOM 228 HA ASN A 14 -0.096 1.168 4.045 1.00 0.00 H ATOM 229 HB2 ASN A 14 0.739 0.601 1.185 1.00 0.00 H ATOM 230 HB3 ASN A 14 1.741 0.514 2.649 1.00 0.00 H ATOM 231 HD21 ASN A 14 -0.962 -1.097 0.816 1.00 0.00 H ATOM 232 HD22 ASN A 14 -0.964 -2.531 1.754 1.00 0.00 H ATOM 233 N PHE A 15 1.027 3.361 3.078 1.00 0.00 N ATOM 234 CA PHE A 15 1.276 4.740 2.673 1.00 0.00 C ATOM 235 C PHE A 15 1.715 4.819 1.234 1.00 0.00 C ATOM 236 O PHE A 15 2.333 3.886 0.749 1.00 0.00 O ATOM 237 CB PHE A 15 2.336 5.472 3.534 1.00 0.00 C ATOM 238 CG PHE A 15 1.744 5.879 4.888 1.00 0.00 C ATOM 239 CD1 PHE A 15 0.883 6.978 4.964 1.00 0.00 C ATOM 240 CD2 PHE A 15 2.062 5.176 6.053 1.00 0.00 C ATOM 241 CE1 PHE A 15 0.324 7.355 6.181 1.00 0.00 C ATOM 242 CE2 PHE A 15 1.483 5.539 7.274 1.00 0.00 C ATOM 243 CZ PHE A 15 0.603 6.615 7.337 1.00 0.00 C ATOM 244 H PHE A 15 1.625 2.937 3.759 1.00 0.00 H ATOM 245 HA PHE A 15 0.329 5.285 2.781 1.00 0.00 H ATOM 246 HB2 PHE A 15 3.229 4.839 3.652 1.00 0.00 H ATOM 247 HB3 PHE A 15 2.650 6.397 3.028 1.00 0.00 H ATOM 248 HD1 PHE A 15 0.647 7.547 4.070 1.00 0.00 H ATOM 249 HD2 PHE A 15 2.761 4.351 6.015 1.00 0.00 H ATOM 250 HE1 PHE A 15 -0.324 8.221 6.238 1.00 0.00 H ATOM 251 HE2 PHE A 15 1.723 4.985 8.174 1.00 0.00 H ATOM 252 HZ PHE A 15 0.137 6.885 8.277 1.00 0.00 H ATOM 253 N ARG A 16 1.404 5.943 0.552 1.00 0.00 N ATOM 254 CA ARG A 16 1.842 6.123 -0.828 1.00 0.00 C ATOM 255 C ARG A 16 3.337 6.209 -0.883 1.00 0.00 C ATOM 256 O ARG A 16 3.923 5.614 -1.775 1.00 0.00 O ATOM 257 CB ARG A 16 1.199 7.395 -1.442 1.00 0.00 C ATOM 258 CG ARG A 16 1.824 7.864 -2.780 1.00 0.00 C ATOM 259 CD ARG A 16 1.713 6.846 -3.944 1.00 0.00 C ATOM 260 NE ARG A 16 3.056 6.623 -4.470 1.00 0.00 N ATOM 261 CZ ARG A 16 3.686 7.466 -5.261 1.00 1.00 C ATOM 262 NH1 ARG A 16 3.185 8.611 -5.657 1.00 0.00 N ATOM 263 NH2 ARG A 16 4.886 7.143 -5.676 1.00 0.00 N ATOM 264 H ARG A 16 0.905 6.688 0.995 1.00 0.00 H ATOM 265 HA ARG A 16 1.554 5.243 -1.411 1.00 0.00 H ATOM 266 HB2 ARG A 16 0.115 7.244 -1.560 1.00 0.00 H ATOM 267 HB3 ARG A 16 1.370 8.219 -0.738 1.00 0.00 H ATOM 268 HG2 ARG A 16 1.328 8.799 -3.079 1.00 0.00 H ATOM 269 HG3 ARG A 16 2.886 8.107 -2.615 1.00 0.00 H ATOM 270 HD2 ARG A 16 1.336 5.879 -3.585 1.00 0.00 H ATOM 271 HD3 ARG A 16 1.001 7.165 -4.720 1.00 0.00 H ATOM 272 HE ARG A 16 3.523 5.746 -4.191 1.00 0.00 H ATOM 273 HH11 ARG A 16 2.256 8.930 -5.361 1.00 0.00 H ATOM 274 HH12 ARG A 16 3.724 9.231 -6.281 1.00 0.00 H ATOM 275 HH21 ARG A 16 5.328 6.260 -5.388 1.00 0.00 H ATOM 276 HH22 ARG A 16 5.419 7.767 -6.298 1.00 0.00 H ATOM 277 N LYS A 17 3.960 6.940 0.062 1.00 0.00 N ATOM 278 CA LYS A 17 5.415 7.015 0.058 1.00 0.00 C ATOM 279 C LYS A 17 5.960 5.619 -0.069 1.00 0.00 C ATOM 280 O LYS A 17 6.872 5.411 -0.852 1.00 0.00 O ATOM 281 CB LYS A 17 6.016 7.658 1.335 1.00 0.00 C ATOM 282 CG LYS A 17 5.616 9.152 1.475 1.00 0.00 C ATOM 283 CD LYS A 17 6.467 9.919 2.526 1.00 0.00 C ATOM 284 CE LYS A 17 7.929 10.168 2.063 1.00 0.00 C ATOM 285 NZ LYS A 17 8.614 11.135 2.949 1.00 1.00 N ATOM 286 H LYS A 17 3.445 7.428 0.767 1.00 0.00 H ATOM 287 HA LYS A 17 5.727 7.595 -0.826 1.00 0.00 H ATOM 288 HB2 LYS A 17 5.696 7.099 2.228 1.00 0.00 H ATOM 289 HB3 LYS A 17 7.107 7.564 1.242 1.00 0.00 H ATOM 290 HG2 LYS A 17 5.708 9.670 0.506 1.00 0.00 H ATOM 291 HG3 LYS A 17 4.564 9.215 1.794 1.00 0.00 H ATOM 292 HD2 LYS A 17 5.992 10.902 2.686 1.00 0.00 H ATOM 293 HD3 LYS A 17 6.460 9.369 3.482 1.00 0.00 H ATOM 294 HE2 LYS A 17 8.505 9.230 2.074 1.00 0.00 H ATOM 295 HE3 LYS A 17 7.930 10.573 1.037 1.00 0.00 H ATOM 296 HZ1 LYS A 17 9.638 11.266 2.631 1.00 0.00 H ATOM 297 HZ2 LYS A 17 8.621 10.787 3.971 1.00 0.00 H ATOM 298 HZ3 LYS A 17 8.135 12.103 2.920 1.00 0.00 H ATOM 299 N ARG A 18 5.394 4.649 0.678 1.00 0.00 N ATOM 300 CA ARG A 18 5.869 3.284 0.527 1.00 0.00 C ATOM 301 C ARG A 18 5.408 2.743 -0.803 1.00 0.00 C ATOM 302 O ARG A 18 4.245 2.394 -0.934 1.00 0.00 O ATOM 303 CB ARG A 18 5.387 2.362 1.679 1.00 0.00 C ATOM 304 CG ARG A 18 6.006 2.786 3.040 1.00 0.00 C ATOM 305 CD ARG A 18 6.962 1.717 3.640 1.00 0.00 C ATOM 306 NE ARG A 18 8.074 1.356 2.763 1.00 0.00 N ATOM 307 CZ ARG A 18 9.001 0.482 3.086 1.00 1.00 C ATOM 308 NH1 ARG A 18 9.048 -0.113 4.252 1.00 0.00 N ATOM 309 NH2 ARG A 18 9.925 0.191 2.200 1.00 0.00 N ATOM 310 H ARG A 18 4.640 4.834 1.310 1.00 0.00 H ATOM 311 HA ARG A 18 6.965 3.303 0.561 1.00 0.00 H ATOM 312 HB2 ARG A 18 4.287 2.384 1.735 1.00 0.00 H ATOM 313 HB3 ARG A 18 5.690 1.333 1.445 1.00 0.00 H ATOM 314 HG2 ARG A 18 6.553 3.734 2.940 1.00 0.00 H ATOM 315 HG3 ARG A 18 5.187 2.951 3.755 1.00 0.00 H ATOM 316 HD2 ARG A 18 7.345 2.132 4.585 1.00 0.00 H ATOM 317 HD3 ARG A 18 6.376 0.807 3.844 1.00 0.00 H ATOM 318 HE ARG A 18 8.120 1.801 1.839 1.00 0.00 H ATOM 319 HH11 ARG A 18 8.364 0.094 4.989 1.00 0.00 H ATOM 320 HH12 ARG A 18 9.788 -0.798 4.465 1.00 0.00 H ATOM 321 HH21 ARG A 18 9.928 0.629 1.267 1.00 0.00 H ATOM 322 HH22 ARG A 18 10.669 -0.490 2.413 1.00 0.00 H ATOM 323 N LEU A 19 6.317 2.648 -1.798 1.00 0.00 N ATOM 324 CA LEU A 19 5.978 1.933 -3.024 1.00 0.00 C ATOM 325 C LEU A 19 5.649 0.495 -2.707 1.00 0.00 C ATOM 326 O LEU A 19 4.826 -0.071 -3.410 1.00 0.00 O ATOM 327 CB LEU A 19 7.182 1.939 -4.005 1.00 0.00 C ATOM 328 CG LEU A 19 7.370 3.331 -4.671 1.00 0.00 C ATOM 329 CD1 LEU A 19 8.862 3.597 -4.989 1.00 0.00 C ATOM 330 CD2 LEU A 19 6.533 3.434 -5.974 1.00 0.00 C ATOM 331 H LEU A 19 7.249 2.999 -1.690 1.00 0.00 H ATOM 332 HA LEU A 19 5.106 2.406 -3.499 1.00 0.00 H ATOM 333 HB2 LEU A 19 8.083 1.645 -3.445 1.00 0.00 H ATOM 334 HB3 LEU A 19 7.023 1.179 -4.785 1.00 0.00 H ATOM 335 HG LEU A 19 7.039 4.123 -3.978 1.00 0.00 H ATOM 336 HD11 LEU A 19 8.977 4.576 -5.478 1.00 0.00 H ATOM 337 HD12 LEU A 19 9.258 2.815 -5.655 1.00 0.00 H ATOM 338 HD13 LEU A 19 9.448 3.607 -4.057 1.00 0.00 H ATOM 339 HD21 LEU A 19 6.873 2.685 -6.706 1.00 0.00 H ATOM 340 HD22 LEU A 19 6.651 4.431 -6.424 1.00 0.00 H ATOM 341 HD23 LEU A 19 5.468 3.267 -5.762 1.00 0.00 H ATOM 342 N LYS A 20 6.288 -0.111 -1.677 1.00 0.00 N ATOM 343 CA LYS A 20 6.069 -1.530 -1.406 1.00 0.00 C ATOM 344 C LYS A 20 5.054 -1.734 -0.310 1.00 0.00 C ATOM 345 O LYS A 20 4.878 -0.847 0.509 1.00 0.00 O ATOM 346 CB LYS A 20 7.420 -2.210 -1.072 1.00 0.00 C ATOM 347 CG LYS A 20 8.299 -2.235 -2.351 1.00 0.00 C ATOM 348 CD LYS A 20 9.767 -2.640 -2.029 1.00 0.00 C ATOM 349 CE LYS A 20 10.587 -2.739 -3.343 1.00 0.00 C ATOM 350 NZ LYS A 20 12.007 -3.051 -3.079 1.00 1.00 N ATOM 351 H LYS A 20 6.934 0.379 -1.088 1.00 0.00 H ATOM 352 HA LYS A 20 5.687 -2.024 -2.305 1.00 0.00 H ATOM 353 HB2 LYS A 20 7.923 -1.658 -0.263 1.00 0.00 H ATOM 354 HB3 LYS A 20 7.243 -3.244 -0.736 1.00 0.00 H ATOM 355 HG2 LYS A 20 7.859 -2.958 -3.062 1.00 0.00 H ATOM 356 HG3 LYS A 20 8.292 -1.238 -2.825 1.00 0.00 H ATOM 357 HD2 LYS A 20 10.216 -1.880 -1.365 1.00 0.00 H ATOM 358 HD3 LYS A 20 9.793 -3.613 -1.510 1.00 0.00 H ATOM 359 HE2 LYS A 20 10.166 -3.532 -3.984 1.00 0.00 H ATOM 360 HE3 LYS A 20 10.534 -1.777 -3.881 1.00 0.00 H ATOM 361 HZ1 LYS A 20 12.094 -3.981 -2.536 1.00 0.00 H ATOM 362 HZ2 LYS A 20 12.456 -2.272 -2.479 1.00 0.00 H ATOM 363 HZ3 LYS A 20 12.558 -3.123 -4.010 1.00 0.00 H ATOM 364 N CYS A 21 4.367 -2.898 -0.284 1.00 0.00 N ATOM 365 CA CYS A 21 3.350 -3.100 0.741 1.00 0.00 C ATOM 366 C CYS A 21 4.078 -3.329 2.036 1.00 0.00 C ATOM 367 O CYS A 21 4.998 -4.128 2.040 1.00 0.00 O ATOM 368 CB CYS A 21 2.425 -4.297 0.414 1.00 0.00 C ATOM 369 SG CYS A 21 1.060 -4.359 1.612 1.00 -1.00 S ATOM 370 H CYS A 21 4.543 -3.634 -0.941 1.00 0.00 H ATOM 371 HA CYS A 21 2.713 -2.203 0.792 1.00 0.00 H ATOM 372 HB2 CYS A 21 1.977 -4.167 -0.580 1.00 0.00 H ATOM 373 HB3 CYS A 21 2.987 -5.241 0.435 1.00 0.00 H ATOM 374 N PHE A 22 3.695 -2.641 3.132 1.00 0.00 N ATOM 375 CA PHE A 22 4.427 -2.804 4.385 1.00 0.00 C ATOM 376 C PHE A 22 4.020 -4.035 5.156 1.00 0.00 C ATOM 377 O PHE A 22 4.662 -4.308 6.159 1.00 0.00 O ATOM 378 CB PHE A 22 4.195 -1.530 5.235 1.00 0.00 C ATOM 379 CG PHE A 22 4.982 -1.532 6.552 1.00 0.00 C ATOM 380 CD1 PHE A 22 6.374 -1.642 6.546 1.00 0.00 C ATOM 381 CD2 PHE A 22 4.317 -1.416 7.780 1.00 0.00 C ATOM 382 CE1 PHE A 22 7.096 -1.648 7.741 1.00 0.00 C ATOM 383 CE2 PHE A 22 5.035 -1.422 8.976 1.00 0.00 C ATOM 384 CZ PHE A 22 6.424 -1.543 8.961 1.00 0.00 C ATOM 385 H PHE A 22 2.905 -2.027 3.111 1.00 0.00 H ATOM 386 HA PHE A 22 5.499 -2.889 4.154 1.00 0.00 H ATOM 387 HB2 PHE A 22 4.515 -0.672 4.630 1.00 0.00 H ATOM 388 HB3 PHE A 22 3.120 -1.426 5.444 1.00 0.00 H ATOM 389 HD1 PHE A 22 6.913 -1.724 5.611 1.00 0.00 H ATOM 390 HD2 PHE A 22 3.238 -1.319 7.816 1.00 0.00 H ATOM 391 HE1 PHE A 22 8.177 -1.736 7.721 1.00 0.00 H ATOM 392 HE2 PHE A 22 4.511 -1.331 9.924 1.00 0.00 H ATOM 393 HZ PHE A 22 6.983 -1.554 9.891 1.00 0.00 H ATOM 394 N ARG A 23 2.976 -4.775 4.717 1.00 0.00 N ATOM 395 CA ARG A 23 2.506 -5.937 5.459 1.00 0.00 C ATOM 396 C ARG A 23 2.911 -7.204 4.737 1.00 0.00 C ATOM 397 O ARG A 23 3.624 -7.993 5.337 1.00 0.00 O ATOM 398 CB ARG A 23 0.972 -5.797 5.622 1.00 0.00 C ATOM 399 CG ARG A 23 0.419 -6.591 6.838 1.00 0.00 C ATOM 400 CD ARG A 23 -0.911 -7.307 6.504 1.00 0.00 C ATOM 401 NE ARG A 23 -0.624 -8.439 5.629 1.00 0.00 N ATOM 402 CZ ARG A 23 -0.207 -9.613 6.048 1.00 1.00 C ATOM 403 NH1 ARG A 23 0.029 -9.901 7.307 1.00 0.00 N ATOM 404 NH2 ARG A 23 -0.014 -10.558 5.160 1.00 0.00 N ATOM 405 H ARG A 23 2.480 -4.545 3.886 1.00 0.00 H ATOM 406 HA ARG A 23 2.943 -5.940 6.470 1.00 0.00 H ATOM 407 HB2 ARG A 23 0.780 -4.728 5.798 1.00 0.00 H ATOM 408 HB3 ARG A 23 0.462 -6.076 4.690 1.00 0.00 H ATOM 409 HG2 ARG A 23 1.145 -7.349 7.163 1.00 0.00 H ATOM 410 HG3 ARG A 23 0.252 -5.896 7.677 1.00 0.00 H ATOM 411 HD2 ARG A 23 -1.466 -7.597 7.408 1.00 0.00 H ATOM 412 HD3 ARG A 23 -1.573 -6.617 5.963 1.00 0.00 H ATOM 413 HE ARG A 23 -0.778 -8.293 4.622 1.00 0.00 H ATOM 414 HH11 ARG A 23 -0.088 -9.210 8.057 1.00 0.00 H ATOM 415 HH12 ARG A 23 0.351 -10.840 7.579 1.00 0.00 H ATOM 416 HH21 ARG A 23 -0.185 -10.393 4.159 1.00 0.00 H ATOM 417 HH22 ARG A 23 0.313 -11.492 5.444 1.00 0.00 H ATOM 418 N CYS A 24 2.498 -7.420 3.463 1.00 0.00 N ATOM 419 CA CYS A 24 2.947 -8.603 2.736 1.00 0.00 C ATOM 420 C CYS A 24 4.282 -8.379 2.065 1.00 0.00 C ATOM 421 O CYS A 24 4.866 -9.369 1.653 1.00 0.00 O ATOM 422 CB CYS A 24 1.910 -9.080 1.686 1.00 0.00 C ATOM 423 SG CYS A 24 1.798 -8.002 0.220 1.00 -1.00 S ATOM 424 H CYS A 24 1.924 -6.768 2.969 1.00 0.00 H ATOM 425 HA CYS A 24 3.059 -9.441 3.444 1.00 0.00 H ATOM 426 HB2 CYS A 24 2.191 -10.080 1.325 1.00 0.00 H ATOM 427 HB3 CYS A 24 0.920 -9.141 2.155 1.00 0.00 H ATOM 428 N GLY A 25 4.785 -7.129 1.916 1.00 0.00 N ATOM 429 CA GLY A 25 6.043 -6.920 1.202 1.00 0.00 C ATOM 430 C GLY A 25 5.795 -6.656 -0.264 1.00 0.00 C ATOM 431 O GLY A 25 6.361 -5.719 -0.806 1.00 0.00 O ATOM 432 H GLY A 25 4.311 -6.314 2.249 1.00 0.00 H ATOM 433 HA2 GLY A 25 6.578 -6.065 1.642 1.00 0.00 H ATOM 434 HA3 GLY A 25 6.708 -7.792 1.290 1.00 0.00 H ATOM 435 N ALA A 26 4.968 -7.499 -0.919 1.00 0.00 N ATOM 436 CA ALA A 26 4.787 -7.404 -2.366 1.00 0.00 C ATOM 437 C ALA A 26 4.511 -5.997 -2.840 1.00 0.00 C ATOM 438 O ALA A 26 3.946 -5.220 -2.088 1.00 0.00 O ATOM 439 CB ALA A 26 3.624 -8.319 -2.822 1.00 0.00 C ATOM 440 H ALA A 26 4.553 -8.271 -0.443 1.00 0.00 H ATOM 441 HA ALA A 26 5.719 -7.778 -2.821 1.00 0.00 H ATOM 442 HB1 ALA A 26 3.695 -9.321 -2.369 1.00 0.00 H ATOM 443 HB2 ALA A 26 2.658 -7.867 -2.554 1.00 0.00 H ATOM 444 HB3 ALA A 26 3.666 -8.447 -3.908 1.00 0.00 H ATOM 445 N ASP A 27 4.910 -5.652 -4.086 1.00 0.00 N ATOM 446 CA ASP A 27 4.731 -4.285 -4.563 1.00 0.00 C ATOM 447 C ASP A 27 3.287 -4.028 -4.930 1.00 0.00 C ATOM 448 O ASP A 27 2.482 -4.947 -4.927 1.00 0.00 O ATOM 449 CB ASP A 27 5.709 -3.988 -5.735 1.00 0.00 C ATOM 450 CG ASP A 27 5.960 -2.513 -5.933 1.00 0.00 C ATOM 451 OD1 ASP A 27 5.154 -1.863 -6.651 1.00 -0.50 O ATOM 452 OD2 ASP A 27 6.960 -1.988 -5.371 1.00 -0.50 O ATOM 453 H ASP A 27 5.350 -6.315 -4.692 1.00 0.00 H ATOM 454 HA ASP A 27 5.002 -3.607 -3.747 1.00 0.00 H ATOM 455 HB2 ASP A 27 6.683 -4.446 -5.507 1.00 0.00 H ATOM 456 HB3 ASP A 27 5.318 -4.442 -6.658 1.00 0.00 H ATOM 457 N LYS A 28 2.950 -2.761 -5.249 1.00 0.00 N ATOM 458 CA LYS A 28 1.594 -2.432 -5.684 1.00 0.00 C ATOM 459 C LYS A 28 1.266 -3.191 -6.944 1.00 0.00 C ATOM 460 O LYS A 28 0.121 -3.590 -7.094 1.00 0.00 O ATOM 461 CB LYS A 28 1.495 -0.915 -6.003 1.00 0.00 C ATOM 462 CG LYS A 28 1.685 -0.075 -4.711 1.00 0.00 C ATOM 463 CD LYS A 28 2.282 1.337 -4.951 1.00 0.00 C ATOM 464 CE LYS A 28 1.195 2.355 -5.373 1.00 0.00 C ATOM 465 NZ LYS A 28 1.828 3.541 -5.982 1.00 1.00 N ATOM 466 H LYS A 28 3.634 -2.034 -5.228 1.00 0.00 H ATOM 467 HA LYS A 28 0.871 -2.689 -4.895 1.00 0.00 H ATOM 468 HB2 LYS A 28 2.263 -0.677 -6.756 1.00 0.00 H ATOM 469 HB3 LYS A 28 0.508 -0.692 -6.440 1.00 0.00 H ATOM 470 HG2 LYS A 28 0.708 0.029 -4.223 1.00 0.00 H ATOM 471 HG3 LYS A 28 2.361 -0.589 -4.017 1.00 0.00 H ATOM 472 HD2 LYS A 28 2.723 1.703 -4.006 1.00 0.00 H ATOM 473 HD3 LYS A 28 3.087 1.281 -5.704 1.00 0.00 H ATOM 474 HE2 LYS A 28 0.500 1.909 -6.100 1.00 0.00 H ATOM 475 HE3 LYS A 28 0.632 2.653 -4.472 1.00 0.00 H ATOM 476 HZ1 LYS A 28 2.674 3.858 -5.397 1.00 0.00 H ATOM 477 HZ2 LYS A 28 1.132 4.364 -6.035 1.00 0.00 H ATOM 478 HZ3 LYS A 28 2.183 3.311 -6.977 1.00 0.00 H ATOM 479 N PHE A 29 2.258 -3.395 -7.845 1.00 0.00 N ATOM 480 CA PHE A 29 1.995 -4.045 -9.127 1.00 0.00 C ATOM 481 C PHE A 29 2.635 -5.415 -9.131 1.00 0.00 C ATOM 482 O PHE A 29 3.253 -5.789 -10.114 1.00 0.00 O ATOM 483 CB PHE A 29 2.532 -3.110 -10.247 1.00 0.00 C ATOM 484 CG PHE A 29 1.569 -3.005 -11.436 1.00 0.00 C ATOM 485 CD1 PHE A 29 1.181 -4.142 -12.146 1.00 0.00 C ATOM 486 CD2 PHE A 29 1.067 -1.756 -11.820 1.00 0.00 C ATOM 487 CE1 PHE A 29 0.303 -4.038 -13.227 1.00 0.00 C ATOM 488 CE2 PHE A 29 0.193 -1.647 -12.903 1.00 0.00 C ATOM 489 CZ PHE A 29 -0.193 -2.789 -13.609 1.00 0.00 C ATOM 490 H PHE A 29 3.197 -3.092 -7.672 1.00 0.00 H ATOM 491 HA PHE A 29 0.912 -4.182 -9.286 1.00 0.00 H ATOM 492 HB2 PHE A 29 2.651 -2.104 -9.817 1.00 0.00 H ATOM 493 HB3 PHE A 29 3.525 -3.424 -10.600 1.00 0.00 H ATOM 494 HD1 PHE A 29 1.559 -5.119 -11.871 1.00 0.00 H ATOM 495 HD2 PHE A 29 1.349 -0.855 -11.291 1.00 0.00 H ATOM 496 HE1 PHE A 29 0.002 -4.927 -13.773 1.00 0.00 H ATOM 497 HE2 PHE A 29 -0.189 -0.674 -13.197 1.00 0.00 H ATOM 498 HZ PHE A 29 -0.874 -2.704 -14.449 1.00 0.00 H ATOM 499 N ASP A 30 2.500 -6.183 -8.025 1.00 0.00 N ATOM 500 CA ASP A 30 3.093 -7.519 -7.995 1.00 0.00 C ATOM 501 C ASP A 30 2.049 -8.490 -8.550 1.00 0.00 C ATOM 502 O ASP A 30 0.857 -8.340 -8.286 1.00 0.00 O ATOM 503 CB ASP A 30 3.505 -7.963 -6.568 1.00 0.00 C ATOM 504 CG ASP A 30 4.966 -8.319 -6.488 1.00 0.00 C ATOM 505 OD1 ASP A 30 5.805 -7.377 -6.507 1.00 -0.50 O ATOM 506 OD2 ASP A 30 5.282 -9.536 -6.395 1.00 -0.50 O ATOM 507 H ASP A 30 1.944 -5.879 -7.249 1.00 0.00 H ATOM 508 HA ASP A 30 4.000 -7.533 -8.621 1.00 0.00 H ATOM 509 HB2 ASP A 30 3.326 -7.146 -5.856 1.00 0.00 H ATOM 510 HB3 ASP A 30 2.903 -8.828 -6.251 1.00 0.00 H HETATM 511 N NH2 A 31 2.464 -9.514 -9.329 1.00 0.00 N HETATM 512 HN1 NH2 A 31 1.790 -10.155 -9.699 1.00 0.00 H HETATM 513 HN2 NH2 A 31 3.430 -9.653 -9.550 1.00 0.00 H TER 514 NH2 A 31 HETATM 515 C1 AQN A 32 2.337 2.031 7.348 1.00 0.00 C HETATM 516 C2 AQN A 32 1.141 2.301 8.018 1.00 0.00 C HETATM 517 C3 AQN A 32 -0.128 2.585 7.247 1.00 0.00 C HETATM 518 O3 AQN A 32 -0.084 2.727 6.035 1.00 0.00 O HETATM 519 C4 AQN A 32 -1.449 2.705 7.970 1.00 0.00 C HETATM 520 C5 AQN A 32 -2.642 2.843 7.256 1.00 0.00 C HETATM 521 C6 AQN A 32 -3.861 2.889 7.938 1.00 0.00 C HETATM 522 C7 AQN A 32 -3.883 2.909 9.332 1.00 0.00 C HETATM 523 C8 AQN A 32 -2.691 2.802 10.048 1.00 0.00 C HETATM 524 C9 AQN A 32 -1.476 2.673 9.367 1.00 0.00 C HETATM 525 C10 AQN A 32 -0.192 2.498 10.143 1.00 0.00 C HETATM 526 O10 AQN A 32 -0.215 2.499 11.363 1.00 0.00 O HETATM 527 C11 AQN A 32 1.120 2.319 9.414 1.00 0.00 C HETATM 528 C12 AQN A 32 2.313 2.171 10.126 1.00 0.00 C HETATM 529 C13 AQN A 32 3.525 2.024 9.450 1.00 0.00 C HETATM 530 C14 AQN A 32 3.540 1.970 8.056 1.00 0.00 C HETATM 531 S15 AQN A 32 5.087 1.886 7.193 1.00 0.00 S HETATM 532 OS1 AQN A 32 4.839 1.434 5.845 1.00 0.00 O HETATM 533 OS2 AQN A 32 5.442 3.342 7.142 1.00 -1.00 O HETATM 534 OS3 AQN A 32 6.059 1.201 8.022 1.00 0.00 O HETATM 535 H1 AQN A 32 2.337 1.881 6.274 1.00 0.00 H HETATM 536 H5 AQN A 32 -2.636 2.910 6.174 1.00 0.00 H HETATM 537 H6 AQN A 32 -4.794 2.908 7.390 1.00 0.00 H HETATM 538 H7 AQN A 32 -4.826 3.007 9.858 1.00 0.00 H HETATM 539 H8 AQN A 32 -2.720 2.820 11.132 1.00 0.00 H HETATM 540 H12 AQN A 32 2.309 2.168 11.210 1.00 0.00 H HETATM 541 H13 AQN A 32 4.451 1.950 10.008 1.00 0.00 H HETATM 542 ZN ZN A 33 0.152 -6.329 0.619 1.00 2.00 ZN