HETATM 1 C ACE A 0 -0.760 -0.349 -0.605 1.00 0.57 C HETATM 2 O ACE A 0 -1.288 -0.160 -1.689 1.00 -0.57 O HETATM 3 CH3 ACE A 0 -1.631 -0.455 0.616 1.00 0.06 C HETATM 4 H1 ACE A 0 -1.369 0.347 1.323 1.00 0.00 H HETATM 5 H2 ACE A 0 -1.482 -1.430 1.101 1.00 0.00 H HETATM 6 H3 ACE A 0 -2.691 -0.350 0.339 1.00 0.00 H ATOM 7 N LYS A 1 0.575 -0.460 -0.429 1.00 -0.73 N ATOM 8 CA LYS A 1 1.486 -0.302 -1.557 1.00 0.36 C ATOM 9 C LYS A 1 1.965 -1.674 -1.974 1.00 0.57 C ATOM 10 O LYS A 1 2.871 -2.200 -1.348 1.00 -0.57 O ATOM 11 CB LYS A 1 2.667 0.612 -1.125 1.00 0.00 C ATOM 12 CG LYS A 1 3.127 1.486 -2.313 1.00 0.00 C ATOM 13 CD LYS A 1 4.514 2.127 -2.066 1.00 0.00 C ATOM 14 CE LYS A 1 4.759 3.302 -3.053 1.00 0.50 C ATOM 15 NZ LYS A 1 4.683 4.622 -2.389 1.00 -0.85 N ATOM 16 H LYS A 1 0.965 -0.661 0.470 1.00 0.37 H ATOM 17 HA LYS A 1 0.972 0.193 -2.394 1.00 0.00 H ATOM 18 HB2 LYS A 1 2.334 1.298 -0.330 1.00 0.00 H ATOM 19 HB3 LYS A 1 3.516 0.030 -0.735 1.00 0.00 H ATOM 20 HG2 LYS A 1 3.209 0.856 -3.210 1.00 0.00 H ATOM 21 HG3 LYS A 1 2.361 2.263 -2.477 1.00 0.00 H ATOM 22 HD2 LYS A 1 4.598 2.471 -1.023 1.00 0.00 H ATOM 23 HD3 LYS A 1 5.273 1.343 -2.222 1.00 0.00 H ATOM 24 HE2 LYS A 1 5.758 3.197 -3.505 1.00 0.00 H ATOM 25 HE3 LYS A 1 4.015 3.274 -3.864 1.00 0.00 H ATOM 26 HZ1 LYS A 1 3.959 4.662 -1.587 1.00 0.45 H ATOM 27 HZ2 LYS A 1 4.388 5.382 -3.096 1.00 0.45 H ATOM 28 HZ3 LYS A 1 5.648 4.910 -1.994 1.00 0.45 H ATOM 29 N PHE A 2 1.386 -2.288 -3.027 1.00 -0.73 N ATOM 30 CA PHE A 2 1.844 -3.607 -3.450 1.00 0.36 C ATOM 31 C PHE A 2 2.927 -3.449 -4.487 1.00 0.57 C ATOM 32 O PHE A 2 2.776 -3.923 -5.599 1.00 -0.57 O ATOM 33 CB PHE A 2 0.657 -4.429 -4.008 1.00 0.14 C ATOM 34 CG PHE A 2 -0.528 -4.486 -3.033 1.00 -0.14 C ATOM 35 CD1 PHE A 2 -0.355 -4.863 -1.696 1.00 -0.15 C ATOM 36 CD2 PHE A 2 -1.813 -4.162 -3.483 1.00 -0.15 C ATOM 37 CE1 PHE A 2 -1.443 -4.900 -0.821 1.00 -0.15 C ATOM 38 CE2 PHE A 2 -2.906 -4.221 -2.616 1.00 -0.15 C ATOM 39 CZ PHE A 2 -2.723 -4.588 -1.283 1.00 -0.15 C ATOM 40 H PHE A 2 0.683 -1.833 -3.582 1.00 0.37 H ATOM 41 HA PHE A 2 2.289 -4.173 -2.619 1.00 0.00 H ATOM 42 HB2 PHE A 2 0.336 -3.964 -4.951 1.00 0.00 H ATOM 43 HB3 PHE A 2 0.984 -5.459 -4.221 1.00 0.00 H ATOM 44 HD1 PHE A 2 0.622 -5.136 -1.316 1.00 0.15 H ATOM 45 HD2 PHE A 2 -1.978 -3.863 -4.513 1.00 0.15 H ATOM 46 HE1 PHE A 2 -1.294 -5.175 0.217 1.00 0.15 H ATOM 47 HE2 PHE A 2 -3.899 -3.981 -2.982 1.00 0.15 H ATOM 48 HZ PHE A 2 -3.571 -4.633 -0.608 1.00 0.15 H ATOM 49 N GLU A 3 4.045 -2.791 -4.119 1.00 -0.73 N ATOM 50 CA GLU A 3 5.158 -2.664 -5.051 1.00 0.36 C ATOM 51 C GLU A 3 4.724 -1.813 -6.226 1.00 0.57 C ATOM 52 O GLU A 3 4.651 -2.287 -7.349 1.00 -0.57 O ATOM 53 CB GLU A 3 5.682 -4.085 -5.414 1.00 0.00 C ATOM 54 CG GLU A 3 7.174 -4.133 -5.835 1.00 -0.11 C ATOM 55 CD GLU A 3 7.945 -5.214 -5.136 1.00 0.91 C ATOM 56 OE1 GLU A 3 7.864 -6.386 -5.592 1.00 -0.90 O ATOM 57 OE2 GLU A 3 8.646 -4.887 -4.140 1.00 -0.90 O ATOM 58 H GLU A 3 4.142 -2.414 -3.196 1.00 0.37 H ATOM 59 HA GLU A 3 5.951 -2.118 -4.517 1.00 0.00 H ATOM 60 HB2 GLU A 3 5.574 -4.706 -4.512 1.00 0.00 H ATOM 61 HB3 GLU A 3 5.079 -4.544 -6.213 1.00 0.00 H ATOM 62 HG2 GLU A 3 7.261 -4.341 -6.911 1.00 0.00 H ATOM 63 HG3 GLU A 3 7.675 -3.188 -5.604 1.00 0.00 H ATOM 64 N ASP A 4 4.436 -0.518 -5.966 1.00 -0.73 N ATOM 65 CA ASP A 4 3.965 0.374 -7.022 1.00 0.36 C ATOM 66 C ASP A 4 4.407 1.786 -6.725 1.00 0.57 C ATOM 67 O ASP A 4 5.043 1.990 -5.704 1.00 -0.57 O ATOM 68 CB ASP A 4 2.427 0.235 -7.152 1.00 -0.11 C ATOM 69 CG ASP A 4 1.780 0.354 -5.800 1.00 0.91 C ATOM 70 OD1 ASP A 4 1.899 1.453 -5.193 1.00 -0.90 O ATOM 71 OD2 ASP A 4 1.163 -0.643 -5.328 1.00 -0.90 O ATOM 72 H ASP A 4 4.497 -0.141 -5.042 1.00 0.37 H ATOM 73 HA ASP A 4 4.445 0.128 -7.975 1.00 0.00 H ATOM 74 HB2 ASP A 4 2.000 1.006 -7.808 1.00 0.00 H ATOM 75 HB3 ASP A 4 2.195 -0.749 -7.586 1.00 0.00 H ATOM 76 N TRP A 5 4.107 2.757 -7.614 1.00 -0.73 N ATOM 77 CA TRP A 5 4.452 4.151 -7.368 1.00 0.36 C ATOM 78 C TRP A 5 3.388 5.048 -7.950 1.00 0.57 C ATOM 79 O TRP A 5 2.611 4.561 -8.756 1.00 -0.57 O ATOM 80 CB TRP A 5 5.811 4.469 -8.026 1.00 0.18 C ATOM 81 CG TRP A 5 5.826 3.971 -9.444 1.00 -0.18 C ATOM 82 CD1 TRP A 5 6.253 2.766 -9.842 1.00 -0.30 C ATOM 83 CD2 TRP A 5 5.388 4.698 -10.682 1.00 0.00 C ATOM 84 NE1 TRP A 5 6.154 2.656 -11.142 1.00 0.03 N ATOM 85 CE2 TRP A 5 5.666 3.790 -11.687 1.00 -0.15 C ATOM 86 CE3 TRP A 5 4.843 5.955 -10.939 1.00 -0.15 C ATOM 87 CZ2 TRP A 5 5.455 4.101 -13.025 1.00 -0.15 C ATOM 88 CZ3 TRP A 5 4.622 6.265 -12.281 1.00 -0.15 C ATOM 89 CH2 TRP A 5 4.945 5.371 -13.305 1.00 -0.15 C ATOM 90 H TRP A 5 3.675 2.534 -8.490 1.00 0.37 H ATOM 91 HA TRP A 5 4.510 4.357 -6.288 1.00 0.00 H ATOM 92 HB2 TRP A 5 6.032 5.547 -8.010 1.00 0.00 H ATOM 93 HB3 TRP A 5 6.596 3.943 -7.462 1.00 0.00 H ATOM 94 HD1 TRP A 5 6.612 2.057 -9.111 1.00 0.15 H ATOM 95 HE1 TRP A 5 6.423 1.817 -11.682 1.00 0.27 H ATOM 96 HE3 TRP A 5 4.621 6.640 -10.135 1.00 0.15 H ATOM 97 HZ2 TRP A 5 5.674 3.422 -13.825 1.00 0.15 H ATOM 98 HZ3 TRP A 5 4.199 7.207 -12.576 1.00 0.15 H ATOM 99 HH2 TRP A 5 4.806 5.677 -14.327 1.00 0.15 H ATOM 100 N LEU A 6 3.354 6.338 -7.536 1.00 -0.73 N ATOM 101 CA LEU A 6 2.327 7.262 -8.008 1.00 0.36 C ATOM 102 C LEU A 6 2.952 8.239 -8.969 1.00 0.57 C ATOM 103 O LEU A 6 3.930 8.870 -8.601 1.00 -0.57 O ATOM 104 CB LEU A 6 1.741 8.090 -6.838 1.00 0.00 C ATOM 105 CG LEU A 6 1.094 7.172 -5.763 1.00 0.00 C ATOM 106 CD1 LEU A 6 1.893 7.184 -4.436 1.00 0.00 C ATOM 107 CD2 LEU A 6 -0.381 7.568 -5.500 1.00 0.00 C ATOM 108 H LEU A 6 4.042 6.707 -6.913 1.00 0.37 H ATOM 109 HA LEU A 6 1.490 6.725 -8.475 1.00 0.00 H ATOM 110 HB2 LEU A 6 2.536 8.706 -6.393 1.00 0.00 H ATOM 111 HB3 LEU A 6 0.992 8.776 -7.267 1.00 0.00 H ATOM 112 HG LEU A 6 1.107 6.136 -6.132 1.00 0.00 H ATOM 113 HD11 LEU A 6 2.078 8.214 -4.095 1.00 0.00 H ATOM 114 HD12 LEU A 6 2.856 6.675 -4.583 1.00 0.00 H ATOM 115 HD13 LEU A 6 1.334 6.654 -3.649 1.00 0.00 H ATOM 116 HD21 LEU A 6 -0.426 8.550 -5.005 1.00 0.00 H ATOM 117 HD22 LEU A 6 -0.861 6.822 -4.849 1.00 0.00 H ATOM 118 HD23 LEU A 6 -0.945 7.618 -6.445 1.00 0.00 H ATOM 119 N CYS A 7 2.427 8.373 -10.202 1.00 -0.73 N ATOM 120 CA CYS A 7 3.050 9.293 -11.144 1.00 0.36 C ATOM 121 C CYS A 7 3.117 10.703 -10.614 1.00 0.57 C ATOM 122 O CYS A 7 2.267 11.079 -9.825 1.00 -0.57 O ATOM 123 CB CYS A 7 2.252 9.247 -12.472 1.00 0.05 C ATOM 124 SG CYS A 7 3.016 10.212 -13.801 1.00 -1.05 S ATOM 125 H CYS A 7 1.639 7.825 -10.498 1.00 0.37 H ATOM 126 HA CYS A 7 4.094 8.986 -11.288 1.00 0.00 H ATOM 127 HB2 CYS A 7 2.102 8.218 -12.831 1.00 0.00 H ATOM 128 HB3 CYS A 7 1.270 9.691 -12.294 1.00 0.00 H ATOM 129 N ASN A 8 4.118 11.499 -11.060 1.00 -0.73 N ATOM 130 CA ASN A 8 4.250 12.877 -10.589 1.00 0.36 C ATOM 131 C ASN A 8 3.570 13.841 -11.541 1.00 0.57 C ATOM 132 O ASN A 8 3.939 15.003 -11.581 1.00 -0.57 O ATOM 133 CB ASN A 8 5.755 13.215 -10.384 1.00 0.06 C ATOM 134 CG ASN A 8 6.029 13.632 -8.963 1.00 0.57 C ATOM 135 OD1 ASN A 8 6.572 12.850 -8.201 1.00 -0.57 O ATOM 136 ND2 ASN A 8 5.660 14.866 -8.571 1.00 -0.80 N ATOM 137 H ASN A 8 4.757 11.178 -11.764 1.00 0.37 H ATOM 138 HA ASN A 8 3.745 12.995 -9.617 1.00 0.00 H ATOM 139 HB2 ASN A 8 6.379 12.331 -10.561 1.00 0.00 H ATOM 140 HB3 ASN A 8 6.103 13.995 -11.078 1.00 0.00 H ATOM 141 HD21 ASN A 8 5.218 15.495 -9.210 1.00 0.37 H ATOM 142 HD22 ASN A 8 5.842 15.146 -7.628 1.00 0.37 H ATOM 143 N LYS A 9 2.567 13.369 -12.314 1.00 -0.73 N ATOM 144 CA LYS A 9 1.908 14.199 -13.318 1.00 0.36 C ATOM 145 C LYS A 9 0.417 13.956 -13.264 1.00 0.57 C ATOM 146 O LYS A 9 -0.327 14.913 -13.122 1.00 -0.57 O ATOM 147 CB LYS A 9 2.530 13.855 -14.700 1.00 0.00 C ATOM 148 CG LYS A 9 2.743 15.089 -15.615 1.00 0.00 C ATOM 149 CD LYS A 9 1.445 15.489 -16.358 1.00 0.00 C ATOM 150 CE LYS A 9 1.681 16.743 -17.240 1.00 0.50 C ATOM 151 NZ LYS A 9 0.401 17.372 -17.631 1.00 -0.85 N ATOM 152 H LYS A 9 2.308 12.416 -12.254 1.00 0.37 H ATOM 153 HA LYS A 9 2.055 15.260 -13.071 1.00 0.00 H ATOM 154 HB2 LYS A 9 3.523 13.414 -14.520 1.00 0.00 H ATOM 155 HB3 LYS A 9 1.922 13.104 -15.223 1.00 0.00 H ATOM 156 HG2 LYS A 9 3.118 15.934 -15.019 1.00 0.00 H ATOM 157 HG3 LYS A 9 3.507 14.846 -16.370 1.00 0.00 H ATOM 158 HD2 LYS A 9 1.124 14.660 -17.011 1.00 0.00 H ATOM 159 HD3 LYS A 9 0.653 15.690 -15.623 1.00 0.00 H ATOM 160 HE2 LYS A 9 2.281 17.488 -16.693 1.00 0.00 H ATOM 161 HE3 LYS A 9 2.247 16.440 -18.136 1.00 0.00 H ATOM 162 HZ1 LYS A 9 -0.394 16.649 -17.747 1.00 0.45 H ATOM 163 HZ2 LYS A 9 0.502 17.901 -18.569 1.00 0.45 H ATOM 164 HZ3 LYS A 9 0.087 18.088 -16.884 1.00 0.45 H ATOM 165 N CYS A 10 -0.037 12.689 -13.356 1.00 -0.73 N ATOM 166 CA CYS A 10 -1.449 12.385 -13.155 1.00 0.36 C ATOM 167 C CYS A 10 -1.722 11.656 -11.851 1.00 0.57 C ATOM 168 O CYS A 10 -2.878 11.354 -11.598 1.00 -0.57 O ATOM 169 CB CYS A 10 -1.896 11.527 -14.352 1.00 0.05 C ATOM 170 SG CYS A 10 -0.976 9.989 -14.319 1.00 -1.05 S ATOM 171 H CYS A 10 0.576 11.931 -13.550 1.00 0.37 H ATOM 172 HA CYS A 10 -2.079 13.285 -13.181 1.00 0.00 H ATOM 173 HB2 CYS A 10 -2.956 11.289 -14.248 1.00 0.00 H ATOM 174 HB3 CYS A 10 -1.710 12.023 -15.317 1.00 0.00 H ATOM 175 N CYS A 11 -0.716 11.354 -10.996 1.00 -0.73 N ATOM 176 CA CYS A 11 -0.990 10.671 -9.731 1.00 0.36 C ATOM 177 C CYS A 11 -1.540 9.271 -9.902 1.00 0.57 C ATOM 178 O CYS A 11 -2.101 8.724 -8.964 1.00 -0.57 O ATOM 179 CB CYS A 11 -1.905 11.568 -8.862 1.00 0.23 C ATOM 180 SG CYS A 11 -1.545 11.358 -7.087 1.00 -0.41 S ATOM 181 H CYS A 11 0.233 11.604 -11.174 1.00 0.37 H ATOM 182 HA CYS A 11 -0.041 10.550 -9.189 1.00 0.00 H ATOM 183 HB2 CYS A 11 -1.726 12.625 -9.116 1.00 0.00 H ATOM 184 HB3 CYS A 11 -2.964 11.334 -9.045 1.00 0.00 H ATOM 185 HG CYS A 11 -0.650 11.824 -7.072 1.00 0.18 H ATOM 186 N LEU A 12 -1.382 8.666 -11.096 1.00 -0.73 N ATOM 187 CA LEU A 12 -1.916 7.337 -11.352 1.00 0.36 C ATOM 188 C LEU A 12 -0.974 6.327 -10.740 1.00 0.57 C ATOM 189 O LEU A 12 0.232 6.502 -10.842 1.00 -0.57 O ATOM 190 CB LEU A 12 -2.000 7.083 -12.882 1.00 0.00 C ATOM 191 CG LEU A 12 -2.655 5.713 -13.240 1.00 0.00 C ATOM 192 CD1 LEU A 12 -4.211 5.772 -13.176 1.00 0.00 C ATOM 193 CD2 LEU A 12 -2.129 5.101 -14.571 1.00 0.00 C ATOM 194 H LEU A 12 -0.881 9.105 -11.827 1.00 0.37 H ATOM 195 HA LEU A 12 -2.930 7.277 -10.926 1.00 0.00 H ATOM 196 HB2 LEU A 12 -2.559 7.901 -13.359 1.00 0.00 H ATOM 197 HB3 LEU A 12 -0.962 7.127 -13.246 1.00 0.00 H ATOM 198 HG LEU A 12 -2.333 4.989 -12.484 1.00 0.00 H ATOM 199 HD11 LEU A 12 -4.585 5.169 -12.337 1.00 0.00 H ATOM 200 HD12 LEU A 12 -4.693 5.395 -14.090 1.00 0.00 H ATOM 201 HD13 LEU A 12 -4.550 6.803 -13.016 1.00 0.00 H ATOM 202 HD21 LEU A 12 -1.911 4.031 -14.432 1.00 0.00 H ATOM 203 HD22 LEU A 12 -1.200 5.581 -14.903 1.00 0.00 H ATOM 204 HD23 LEU A 12 -2.860 5.174 -15.383 1.00 0.00 H ATOM 205 N ASN A 13 -1.522 5.266 -10.110 1.00 -0.73 N ATOM 206 CA ASN A 13 -0.672 4.242 -9.520 1.00 0.36 C ATOM 207 C ASN A 13 -0.092 3.368 -10.604 1.00 0.57 C ATOM 208 O ASN A 13 -0.774 3.144 -11.592 1.00 -0.57 O ATOM 209 CB ASN A 13 -1.455 3.330 -8.536 1.00 0.06 C ATOM 210 CG ASN A 13 -0.730 3.202 -7.228 1.00 0.57 C ATOM 211 OD1 ASN A 13 -0.209 2.142 -6.927 1.00 -0.57 O ATOM 212 ND2 ASN A 13 -0.699 4.282 -6.427 1.00 -0.80 N ATOM 213 H ASN A 13 -2.513 5.151 -10.073 1.00 0.37 H ATOM 214 HA ASN A 13 0.128 4.753 -8.968 1.00 0.00 H ATOM 215 HB2 ASN A 13 -2.444 3.743 -8.290 1.00 0.00 H ATOM 216 HB3 ASN A 13 -1.612 2.330 -8.972 1.00 0.00 H ATOM 217 HD21 ASN A 13 -1.140 5.133 -6.714 1.00 0.37 H ATOM 218 HD22 ASN A 13 -0.244 4.216 -5.540 1.00 0.37 H ATOM 219 N ASN A 14 1.144 2.854 -10.439 1.00 -0.73 N ATOM 220 CA ASN A 14 1.718 1.978 -11.453 1.00 0.36 C ATOM 221 C ASN A 14 2.675 0.982 -10.845 1.00 0.57 C ATOM 222 O ASN A 14 3.360 1.330 -9.897 1.00 -0.57 O ATOM 223 CB ASN A 14 2.539 2.828 -12.440 1.00 0.06 C ATOM 224 CG ASN A 14 1.660 3.435 -13.496 1.00 0.57 C ATOM 225 OD1 ASN A 14 1.028 2.710 -14.248 1.00 -0.57 O ATOM 226 ND2 ASN A 14 1.598 4.774 -13.591 1.00 -0.80 N ATOM 227 H ASN A 14 1.707 3.099 -9.649 1.00 0.37 H ATOM 228 HA ASN A 14 0.919 1.436 -11.982 1.00 0.00 H ATOM 229 HB2 ASN A 14 3.054 3.591 -11.844 1.00 0.00 H ATOM 230 HB3 ASN A 14 3.304 2.213 -12.930 1.00 0.00 H ATOM 231 HD21 ASN A 14 2.102 5.386 -12.984 1.00 0.37 H ATOM 232 HD22 ASN A 14 1.014 5.160 -14.294 1.00 0.37 H ATOM 233 N PHE A 15 2.727 -0.250 -11.400 1.00 -0.73 N ATOM 234 CA PHE A 15 3.573 -1.298 -10.835 1.00 0.36 C ATOM 235 C PHE A 15 5.014 -0.842 -10.717 1.00 0.57 C ATOM 236 O PHE A 15 5.490 -0.112 -11.573 1.00 -0.57 O ATOM 237 CB PHE A 15 3.550 -2.612 -11.680 1.00 0.14 C ATOM 238 CG PHE A 15 3.078 -3.832 -10.876 1.00 -0.14 C ATOM 239 CD1 PHE A 15 3.903 -4.405 -9.903 1.00 -0.15 C ATOM 240 CD2 PHE A 15 1.820 -4.401 -11.113 1.00 -0.15 C ATOM 241 CE1 PHE A 15 3.471 -5.497 -9.151 1.00 -0.15 C ATOM 242 CE2 PHE A 15 1.406 -5.528 -10.398 1.00 -0.15 C ATOM 243 CZ PHE A 15 2.227 -6.073 -9.409 1.00 -0.15 C ATOM 244 H PHE A 15 2.133 -0.477 -12.166 1.00 0.37 H ATOM 245 HA PHE A 15 3.155 -1.523 -9.842 1.00 0.00 H ATOM 246 HB2 PHE A 15 2.908 -2.525 -12.570 1.00 0.00 H ATOM 247 HB3 PHE A 15 4.556 -2.829 -12.064 1.00 0.00 H ATOM 248 HD1 PHE A 15 4.892 -4.013 -9.719 1.00 0.15 H ATOM 249 HD2 PHE A 15 1.152 -3.978 -11.855 1.00 0.15 H ATOM 250 HE1 PHE A 15 4.104 -5.901 -8.368 1.00 0.15 H ATOM 251 HE2 PHE A 15 0.445 -5.981 -10.611 1.00 0.15 H ATOM 252 HZ PHE A 15 1.900 -6.939 -8.844 1.00 0.15 H ATOM 253 N ARG A 16 5.739 -1.292 -9.670 1.00 -0.73 N ATOM 254 CA ARG A 16 7.163 -0.979 -9.552 1.00 0.36 C ATOM 255 C ARG A 16 7.995 -1.525 -10.677 1.00 0.57 C ATOM 256 O ARG A 16 9.026 -0.952 -10.993 1.00 -0.57 O ATOM 257 CB ARG A 16 7.802 -1.477 -8.231 1.00 0.00 C ATOM 258 CG ARG A 16 7.893 -0.384 -7.136 1.00 0.00 C ATOM 259 CD ARG A 16 8.924 -0.760 -6.028 1.00 0.33 C ATOM 260 NE ARG A 16 9.992 0.225 -5.862 1.00 -0.84 N ATOM 261 CZ ARG A 16 10.858 0.192 -4.877 1.00 1.20 C ATOM 262 NH1 ARG A 16 10.887 -0.754 -3.973 1.00 -0.97 N ATOM 263 NH2 ARG A 16 11.739 1.159 -4.797 1.00 -0.97 N ATOM 264 H ARG A 16 5.303 -1.853 -8.963 1.00 0.37 H ATOM 265 HA ARG A 16 7.313 0.092 -9.678 1.00 0.00 H ATOM 266 HB2 ARG A 16 7.216 -2.313 -7.849 1.00 0.00 H ATOM 267 HB3 ARG A 16 8.811 -1.853 -8.456 1.00 0.00 H ATOM 268 HG2 ARG A 16 8.160 0.570 -7.606 1.00 0.00 H ATOM 269 HG3 ARG A 16 6.899 -0.246 -6.689 1.00 0.00 H ATOM 270 HD2 ARG A 16 8.358 -0.850 -5.087 1.00 0.00 H ATOM 271 HD3 ARG A 16 9.419 -1.718 -6.248 1.00 0.00 H ATOM 272 HE ARG A 16 10.054 0.986 -6.550 1.00 0.45 H ATOM 273 HH11 ARG A 16 10.240 -1.552 -4.000 1.00 0.45 H ATOM 274 HH12 ARG A 16 11.579 -0.736 -3.211 1.00 0.45 H ATOM 275 HH21 ARG A 16 11.758 1.926 -5.483 1.00 0.45 H ATOM 276 HH22 ARG A 16 12.436 1.179 -4.041 1.00 0.45 H ATOM 277 N LYS A 17 7.567 -2.629 -11.301 1.00 -0.73 N ATOM 278 CA LYS A 17 8.300 -3.116 -12.458 1.00 0.36 C ATOM 279 C LYS A 17 8.316 -2.099 -13.571 1.00 0.57 C ATOM 280 O LYS A 17 9.190 -2.163 -14.421 1.00 -0.57 O ATOM 281 CB LYS A 17 7.616 -4.429 -12.902 1.00 0.00 C ATOM 282 CG LYS A 17 8.133 -4.942 -14.267 1.00 0.00 C ATOM 283 CD LYS A 17 8.042 -6.488 -14.328 1.00 0.00 C ATOM 284 CE LYS A 17 9.314 -7.180 -13.745 1.00 0.50 C ATOM 285 NZ LYS A 17 10.004 -8.062 -14.720 1.00 -0.85 N ATOM 286 H LYS A 17 6.742 -3.095 -10.994 1.00 0.37 H ATOM 287 HA LYS A 17 9.340 -3.336 -12.169 1.00 0.00 H ATOM 288 HB2 LYS A 17 7.797 -5.166 -12.104 1.00 0.00 H ATOM 289 HB3 LYS A 17 6.527 -4.284 -13.004 1.00 0.00 H ATOM 290 HG2 LYS A 17 7.498 -4.501 -15.053 1.00 0.00 H ATOM 291 HG3 LYS A 17 9.168 -4.632 -14.465 1.00 0.00 H ATOM 292 HD2 LYS A 17 7.149 -6.827 -13.775 1.00 0.00 H ATOM 293 HD3 LYS A 17 7.883 -6.750 -15.383 1.00 0.00 H ATOM 294 HE2 LYS A 17 10.044 -6.442 -13.373 1.00 0.00 H ATOM 295 HE3 LYS A 17 9.010 -7.773 -12.867 1.00 0.00 H ATOM 296 HZ1 LYS A 17 9.428 -8.365 -15.582 1.00 0.45 H ATOM 297 HZ2 LYS A 17 10.303 -8.989 -14.250 1.00 0.45 H ATOM 298 HZ3 LYS A 17 10.905 -7.601 -15.104 1.00 0.45 H ATOM 299 N ARG A 18 7.363 -1.149 -13.604 1.00 -0.73 N ATOM 300 CA ARG A 18 7.307 -0.239 -14.737 1.00 0.36 C ATOM 301 C ARG A 18 8.232 0.930 -14.506 1.00 0.57 C ATOM 302 O ARG A 18 8.667 1.130 -13.383 1.00 -0.57 O ATOM 303 CB ARG A 18 5.871 0.323 -14.901 1.00 0.00 C ATOM 304 CG ARG A 18 5.264 0.159 -16.320 1.00 0.00 C ATOM 305 CD ARG A 18 4.386 1.370 -16.738 1.00 0.33 C ATOM 306 NE ARG A 18 3.060 0.948 -17.173 1.00 -0.84 N ATOM 307 CZ ARG A 18 2.096 0.600 -16.352 1.00 1.20 C ATOM 308 NH1 ARG A 18 2.261 0.519 -15.061 1.00 -0.97 N ATOM 309 NH2 ARG A 18 0.914 0.315 -16.833 1.00 -0.97 N ATOM 310 H ARG A 18 6.719 -1.025 -12.852 1.00 0.37 H ATOM 311 HA ARG A 18 7.616 -0.776 -15.645 1.00 0.00 H ATOM 312 HB2 ARG A 18 5.186 -0.163 -14.194 1.00 0.00 H ATOM 313 HB3 ARG A 18 5.923 1.376 -14.624 1.00 0.00 H ATOM 314 HG2 ARG A 18 6.046 0.036 -17.083 1.00 0.00 H ATOM 315 HG3 ARG A 18 4.650 -0.755 -16.327 1.00 0.00 H ATOM 316 HD2 ARG A 18 4.291 2.167 -15.985 1.00 0.00 H ATOM 317 HD3 ARG A 18 4.891 1.817 -17.609 1.00 0.00 H ATOM 318 HE ARG A 18 2.881 0.966 -18.185 1.00 0.45 H ATOM 319 HH11 ARG A 18 3.162 0.710 -14.633 1.00 0.45 H ATOM 320 HH12 ARG A 18 1.482 0.270 -14.439 1.00 0.45 H ATOM 321 HH21 ARG A 18 0.725 0.349 -17.843 1.00 0.45 H ATOM 322 HH22 ARG A 18 0.137 0.052 -16.210 1.00 0.45 H ATOM 323 N LEU A 19 8.498 1.717 -15.573 1.00 -0.73 N ATOM 324 CA LEU A 19 9.356 2.889 -15.444 1.00 0.36 C ATOM 325 C LEU A 19 8.782 4.071 -16.179 1.00 0.57 C ATOM 326 O LEU A 19 9.533 4.952 -16.556 1.00 -0.57 O ATOM 327 CB LEU A 19 10.780 2.536 -15.947 1.00 0.00 C ATOM 328 CG LEU A 19 11.627 1.827 -14.858 1.00 0.00 C ATOM 329 CD1 LEU A 19 12.742 0.997 -15.541 1.00 0.00 C ATOM 330 CD2 LEU A 19 12.236 2.850 -13.856 1.00 0.00 C ATOM 331 H LEU A 19 8.140 1.502 -16.482 1.00 0.37 H ATOM 332 HA LEU A 19 9.389 3.224 -14.408 1.00 0.00 H ATOM 333 HB2 LEU A 19 10.652 1.887 -16.826 1.00 0.00 H ATOM 334 HB3 LEU A 19 11.347 3.423 -16.266 1.00 0.00 H ATOM 335 HG LEU A 19 10.995 1.119 -14.303 1.00 0.00 H ATOM 336 HD11 LEU A 19 13.487 0.666 -14.801 1.00 0.00 H ATOM 337 HD12 LEU A 19 13.245 1.599 -16.313 1.00 0.00 H ATOM 338 HD13 LEU A 19 12.299 0.108 -16.016 1.00 0.00 H ATOM 339 HD21 LEU A 19 12.230 2.424 -12.840 1.00 0.00 H ATOM 340 HD22 LEU A 19 11.674 3.794 -13.837 1.00 0.00 H ATOM 341 HD23 LEU A 19 13.275 3.089 -14.127 1.00 0.00 H ATOM 342 N LYS A 20 7.453 4.139 -16.394 1.00 -0.73 N ATOM 343 CA LYS A 20 6.930 5.269 -17.142 1.00 0.36 C ATOM 344 C LYS A 20 5.433 5.225 -17.121 1.00 0.57 C ATOM 345 O LYS A 20 4.849 4.190 -17.394 1.00 -0.57 O ATOM 346 CB LYS A 20 7.429 5.324 -18.608 1.00 0.00 C ATOM 347 CG LYS A 20 7.281 3.937 -19.284 1.00 0.00 C ATOM 348 CD LYS A 20 8.049 3.848 -20.630 1.00 0.00 C ATOM 349 CE LYS A 20 7.110 3.816 -21.861 1.00 0.50 C ATOM 350 NZ LYS A 20 6.237 2.620 -21.897 1.00 -0.85 N ATOM 351 H LYS A 20 6.803 3.463 -16.052 1.00 0.37 H ATOM 352 HA LYS A 20 7.252 6.158 -16.593 1.00 0.00 H ATOM 353 HB2 LYS A 20 6.857 6.081 -19.168 1.00 0.00 H ATOM 354 HB3 LYS A 20 8.484 5.630 -18.608 1.00 0.00 H ATOM 355 HG2 LYS A 20 7.683 3.156 -18.623 1.00 0.00 H ATOM 356 HG3 LYS A 20 6.213 3.734 -19.428 1.00 0.00 H ATOM 357 HD2 LYS A 20 8.735 4.701 -20.744 1.00 0.00 H ATOM 358 HD3 LYS A 20 8.664 2.933 -20.635 1.00 0.00 H ATOM 359 HE2 LYS A 20 6.500 4.733 -21.886 1.00 0.00 H ATOM 360 HE3 LYS A 20 7.755 3.805 -22.755 1.00 0.00 H ATOM 361 HZ1 LYS A 20 6.746 1.734 -21.545 1.00 0.45 H ATOM 362 HZ2 LYS A 20 5.918 2.427 -22.911 1.00 0.45 H ATOM 363 HZ3 LYS A 20 5.328 2.744 -21.328 1.00 0.45 H ATOM 364 N CYS A 21 4.775 6.335 -16.773 1.00 -0.73 N ATOM 365 CA CYS A 21 3.343 6.252 -16.614 1.00 0.36 C ATOM 366 C CYS A 21 2.674 5.947 -17.930 1.00 0.57 C ATOM 367 O CYS A 21 2.973 6.608 -18.909 1.00 -0.57 O ATOM 368 CB CYS A 21 2.885 7.597 -16.041 1.00 0.05 C ATOM 369 SG CYS A 21 1.139 7.387 -15.696 1.00 -1.05 S ATOM 370 H CYS A 21 5.237 7.210 -16.598 1.00 0.37 H ATOM 371 HA CYS A 21 3.106 5.470 -15.876 1.00 0.00 H ATOM 372 HB2 CYS A 21 3.410 7.798 -15.097 1.00 0.00 H ATOM 373 HB3 CYS A 21 3.054 8.414 -16.757 1.00 0.00 H ATOM 374 N PHE A 22 1.767 4.949 -17.974 1.00 -0.73 N ATOM 375 CA PHE A 22 1.108 4.617 -19.234 1.00 0.36 C ATOM 376 C PHE A 22 -0.011 5.585 -19.545 1.00 0.57 C ATOM 377 O PHE A 22 -0.442 5.652 -20.685 1.00 -0.57 O ATOM 378 CB PHE A 22 0.537 3.186 -19.100 1.00 0.14 C ATOM 379 CG PHE A 22 0.444 2.481 -20.455 1.00 -0.14 C ATOM 380 CD1 PHE A 22 1.578 1.875 -21.005 1.00 -0.15 C ATOM 381 CD2 PHE A 22 -0.768 2.431 -21.146 1.00 -0.15 C ATOM 382 CE1 PHE A 22 1.495 1.196 -22.221 1.00 -0.15 C ATOM 383 CE2 PHE A 22 -0.851 1.762 -22.369 1.00 -0.15 C ATOM 384 CZ PHE A 22 0.280 1.143 -22.906 1.00 -0.15 C ATOM 385 H PHE A 22 1.499 4.462 -17.140 1.00 0.37 H ATOM 386 HA PHE A 22 1.852 4.624 -20.047 1.00 0.00 H ATOM 387 HB2 PHE A 22 1.233 2.597 -18.494 1.00 0.00 H ATOM 388 HB3 PHE A 22 -0.433 3.200 -18.579 1.00 0.00 H ATOM 389 HD1 PHE A 22 2.533 1.927 -20.493 1.00 0.15 H ATOM 390 HD2 PHE A 22 -1.651 2.910 -20.737 1.00 0.15 H ATOM 391 HE1 PHE A 22 2.373 0.710 -22.636 1.00 0.15 H ATOM 392 HE2 PHE A 22 -1.794 1.724 -22.902 1.00 0.15 H ATOM 393 HZ PHE A 22 0.215 0.624 -23.857 1.00 0.15 H ATOM 394 N ARG A 23 -0.503 6.331 -18.533 1.00 -0.73 N ATOM 395 CA ARG A 23 -1.603 7.263 -18.741 1.00 0.36 C ATOM 396 C ARG A 23 -1.127 8.493 -19.478 1.00 0.57 C ATOM 397 O ARG A 23 -1.592 8.745 -20.577 1.00 -0.57 O ATOM 398 CB ARG A 23 -2.203 7.699 -17.373 1.00 0.00 C ATOM 399 CG ARG A 23 -3.671 8.170 -17.497 1.00 0.00 C ATOM 400 CD ARG A 23 -4.128 9.054 -16.298 1.00 0.33 C ATOM 401 NE ARG A 23 -5.089 8.435 -15.385 1.00 -0.84 N ATOM 402 CZ ARG A 23 -5.764 9.101 -14.474 1.00 1.20 C ATOM 403 NH1 ARG A 23 -5.673 10.396 -14.297 1.00 -0.97 N ATOM 404 NH2 ARG A 23 -6.585 8.446 -13.692 1.00 -0.97 N ATOM 405 H ARG A 23 -0.140 6.249 -17.615 1.00 0.37 H ATOM 406 HA ARG A 23 -2.386 6.748 -19.319 1.00 0.00 H ATOM 407 HB2 ARG A 23 -2.201 6.848 -16.695 1.00 0.00 H ATOM 408 HB3 ARG A 23 -1.591 8.477 -16.903 1.00 0.00 H ATOM 409 HG2 ARG A 23 -3.741 8.764 -18.421 1.00 0.00 H ATOM 410 HG3 ARG A 23 -4.316 7.285 -17.619 1.00 0.00 H ATOM 411 HD2 ARG A 23 -3.277 9.344 -15.675 1.00 0.00 H ATOM 412 HD3 ARG A 23 -4.550 9.956 -16.765 1.00 0.00 H ATOM 413 HE ARG A 23 -5.218 7.418 -15.465 1.00 0.45 H ATOM 414 HH11 ARG A 23 -5.081 10.981 -14.889 1.00 0.45 H ATOM 415 HH12 ARG A 23 -6.206 10.873 -13.558 1.00 0.45 H ATOM 416 HH21 ARG A 23 -6.726 7.432 -13.793 1.00 0.45 H ATOM 417 HH22 ARG A 23 -7.121 8.929 -12.959 1.00 0.45 H ATOM 418 N CYS A 24 -0.204 9.276 -18.875 1.00 -0.73 N ATOM 419 CA CYS A 24 0.267 10.491 -19.523 1.00 0.36 C ATOM 420 C CYS A 24 1.440 10.142 -20.405 1.00 0.57 C ATOM 421 O CYS A 24 1.739 10.925 -21.291 1.00 -0.57 O ATOM 422 CB CYS A 24 0.593 11.598 -18.483 1.00 0.05 C ATOM 423 SG CYS A 24 1.725 11.055 -17.170 1.00 -1.05 S ATOM 424 H CYS A 24 0.229 9.016 -18.018 1.00 0.37 H ATOM 425 HA CYS A 24 -0.523 10.918 -20.162 1.00 0.00 H ATOM 426 HB2 CYS A 24 1.040 12.471 -18.982 1.00 0.00 H ATOM 427 HB3 CYS A 24 -0.334 11.913 -17.981 1.00 0.00 H ATOM 428 N GLY A 25 2.119 8.985 -20.201 1.00 -0.73 N ATOM 429 CA GLY A 25 3.275 8.664 -21.022 1.00 0.36 C ATOM 430 C GLY A 25 4.543 9.200 -20.402 1.00 0.57 C ATOM 431 O GLY A 25 5.602 8.905 -20.933 1.00 -0.57 O ATOM 432 H GLY A 25 1.921 8.335 -19.467 1.00 0.37 H ATOM 433 HA2 GLY A 25 3.362 7.573 -21.134 1.00 0.00 H ATOM 434 HA3 GLY A 25 3.165 9.079 -22.035 1.00 0.00 H ATOM 435 N ALA A 26 4.477 9.989 -19.306 1.00 -0.73 N ATOM 436 CA ALA A 26 5.680 10.618 -18.780 1.00 0.36 C ATOM 437 C ALA A 26 6.385 9.695 -17.821 1.00 0.57 C ATOM 438 O ALA A 26 5.799 8.722 -17.371 1.00 -0.57 O ATOM 439 CB ALA A 26 5.353 11.952 -18.061 1.00 0.00 C ATOM 440 H ALA A 26 3.626 10.168 -18.822 1.00 0.37 H ATOM 441 HA ALA A 26 6.349 10.855 -19.622 1.00 0.00 H ATOM 442 HB1 ALA A 26 5.145 11.772 -16.995 1.00 0.00 H ATOM 443 HB2 ALA A 26 6.207 12.642 -18.141 1.00 0.00 H ATOM 444 HB3 ALA A 26 4.475 12.434 -18.517 1.00 0.00 H ATOM 445 N ASP A 27 7.662 9.998 -17.504 1.00 -0.73 N ATOM 446 CA ASP A 27 8.412 9.113 -16.627 1.00 0.36 C ATOM 447 C ASP A 27 7.896 9.233 -15.210 1.00 0.57 C ATOM 448 O ASP A 27 7.076 10.095 -14.940 1.00 -0.57 O ATOM 449 CB ASP A 27 9.937 9.365 -16.703 1.00 -0.11 C ATOM 450 CG ASP A 27 10.686 8.091 -16.411 1.00 0.91 C ATOM 451 OD1 ASP A 27 10.676 7.666 -15.220 1.00 -0.90 O ATOM 452 OD2 ASP A 27 11.271 7.503 -17.359 1.00 -0.90 O ATOM 453 H ASP A 27 8.105 10.818 -17.863 1.00 0.37 H ATOM 454 HA ASP A 27 8.263 8.097 -17.005 1.00 0.00 H ATOM 455 HB2 ASP A 27 10.212 9.681 -17.720 1.00 0.00 H ATOM 456 HB3 ASP A 27 10.223 10.155 -15.994 1.00 0.00 H ATOM 457 N LYS A 28 8.381 8.387 -14.281 1.00 -0.73 N ATOM 458 CA LYS A 28 7.896 8.416 -12.908 1.00 0.36 C ATOM 459 C LYS A 28 8.182 9.771 -12.314 1.00 0.57 C ATOM 460 O LYS A 28 7.263 10.393 -11.807 1.00 -0.57 O ATOM 461 CB LYS A 28 8.641 7.384 -12.022 1.00 0.00 C ATOM 462 CG LYS A 28 8.473 5.918 -12.499 1.00 0.00 C ATOM 463 CD LYS A 28 9.513 4.999 -11.809 1.00 0.00 C ATOM 464 CE LYS A 28 9.038 4.477 -10.434 1.00 0.50 C ATOM 465 NZ LYS A 28 10.136 4.522 -9.453 1.00 -0.85 N ATOM 466 H LYS A 28 9.116 7.757 -14.527 1.00 0.37 H ATOM 467 HA LYS A 28 6.814 8.209 -12.884 1.00 0.00 H ATOM 468 HB2 LYS A 28 9.710 7.635 -12.033 1.00 0.00 H ATOM 469 HB3 LYS A 28 8.284 7.472 -10.983 1.00 0.00 H ATOM 470 HG2 LYS A 28 7.452 5.602 -12.271 1.00 0.00 H ATOM 471 HG3 LYS A 28 8.609 5.807 -13.582 1.00 0.00 H ATOM 472 HD2 LYS A 28 9.687 4.107 -12.414 1.00 0.00 H ATOM 473 HD3 LYS A 28 10.484 5.511 -11.735 1.00 0.00 H ATOM 474 HE2 LYS A 28 8.201 5.075 -10.048 1.00 0.00 H ATOM 475 HE3 LYS A 28 8.706 3.432 -10.553 1.00 0.00 H ATOM 476 HZ1 LYS A 28 10.416 5.550 -9.268 1.00 0.45 H ATOM 477 HZ2 LYS A 28 10.996 3.974 -9.811 1.00 0.45 H ATOM 478 HZ3 LYS A 28 9.800 4.087 -8.524 1.00 0.45 H ATOM 479 N PHE A 29 9.455 10.228 -12.379 1.00 -0.73 N ATOM 480 CA PHE A 29 9.823 11.516 -11.797 1.00 0.36 C ATOM 481 C PHE A 29 9.905 12.540 -12.904 1.00 0.57 C ATOM 482 O PHE A 29 10.577 13.540 -12.726 1.00 -0.57 O ATOM 483 CB PHE A 29 11.184 11.401 -11.044 1.00 0.14 C ATOM 484 CG PHE A 29 11.080 11.843 -9.577 1.00 -0.14 C ATOM 485 CD1 PHE A 29 10.608 13.120 -9.259 1.00 -0.15 C ATOM 486 CD2 PHE A 29 11.459 10.976 -8.547 1.00 -0.15 C ATOM 487 CE1 PHE A 29 10.491 13.517 -7.925 1.00 -0.15 C ATOM 488 CE2 PHE A 29 11.360 11.378 -7.213 1.00 -0.15 C ATOM 489 CZ PHE A 29 10.872 12.648 -6.901 1.00 -0.15 C ATOM 490 H PHE A 29 10.157 9.732 -12.892 1.00 0.37 H ATOM 491 HA PHE A 29 9.055 11.853 -11.085 1.00 0.00 H ATOM 492 HB2 PHE A 29 11.529 10.358 -11.074 1.00 0.00 H ATOM 493 HB3 PHE A 29 11.974 12.006 -11.512 1.00 0.00 H ATOM 494 HD1 PHE A 29 10.330 13.814 -10.045 1.00 0.15 H ATOM 495 HD2 PHE A 29 11.836 9.985 -8.768 1.00 0.15 H ATOM 496 HE1 PHE A 29 10.104 14.502 -7.684 1.00 0.15 H ATOM 497 HE2 PHE A 29 11.663 10.703 -6.421 1.00 0.15 H ATOM 498 HZ PHE A 29 10.789 12.959 -5.865 1.00 0.15 H ATOM 499 N ASP A 30 9.239 12.310 -14.056 1.00 -0.73 N ATOM 500 CA ASP A 30 9.336 13.227 -15.186 1.00 0.36 C ATOM 501 C ASP A 30 10.757 13.458 -15.662 1.00 0.57 C ATOM 502 O ASP A 30 11.064 13.046 -16.770 1.00 -0.57 O ATOM 503 CB ASP A 30 8.492 14.503 -14.944 1.00 -0.11 C ATOM 504 CG ASP A 30 9.261 15.638 -14.330 1.00 0.91 C ATOM 505 OD1 ASP A 30 10.001 16.324 -15.087 1.00 -0.90 O ATOM 506 OD2 ASP A 30 9.131 15.864 -13.097 1.00 -0.90 O ATOM 507 H ASP A 30 8.623 11.533 -14.168 1.00 0.37 H ATOM 508 HA ASP A 30 8.834 12.712 -16.024 1.00 0.00 H ATOM 509 HB2 ASP A 30 8.108 14.863 -15.911 1.00 0.00 H ATOM 510 HB3 ASP A 30 7.630 14.242 -14.309 1.00 0.00 H HETATM 511 N NH2 A 31 11.673 14.089 -14.901 1.00 -0.80 N HETATM 512 HN1 NH2 A 31 11.451 14.406 -13.977 1.00 0.37 H HETATM 513 HN2 NH2 A 31 12.588 14.250 -15.263 1.00 0.37 H TER 514 NH2 A 31 HETATM 515 ZN ZN A 32 1.189 9.746 -15.265 1.00 2.00 ZN