HETATM 1 C ACE A 0 -2.036 -4.286 -1.588 1.00 0.57 C HETATM 2 O ACE A 0 -1.421 -5.316 -1.360 1.00 -0.57 O HETATM 3 CH3 ACE A 0 -3.282 -3.985 -0.801 1.00 0.06 C HETATM 4 H1 ACE A 0 -4.137 -3.901 -1.489 1.00 0.00 H HETATM 5 H2 ACE A 0 -3.160 -3.037 -0.257 1.00 0.00 H HETATM 6 H3 ACE A 0 -3.484 -4.791 -0.079 1.00 0.00 H ATOM 7 N LYS A 1 -1.663 -3.388 -2.525 1.00 -0.73 N ATOM 8 CA LYS A 1 -0.502 -3.640 -3.369 1.00 0.36 C ATOM 9 C LYS A 1 0.659 -2.842 -2.809 1.00 0.57 C ATOM 10 O LYS A 1 0.817 -1.681 -3.144 1.00 -0.57 O ATOM 11 CB LYS A 1 -0.850 -3.298 -4.845 1.00 0.00 C ATOM 12 CG LYS A 1 -0.244 -4.283 -5.889 1.00 0.00 C ATOM 13 CD LYS A 1 1.276 -4.562 -5.702 1.00 0.00 C ATOM 14 CE LYS A 1 1.623 -5.938 -5.050 1.00 0.50 C ATOM 15 NZ LYS A 1 2.538 -5.896 -3.882 1.00 -0.85 N ATOM 16 H LYS A 1 -2.161 -2.529 -2.650 1.00 0.37 H ATOM 17 HA LYS A 1 -0.261 -4.711 -3.355 1.00 0.00 H ATOM 18 HB2 LYS A 1 -1.942 -3.358 -4.975 1.00 0.00 H ATOM 19 HB3 LYS A 1 -0.559 -2.264 -5.082 1.00 0.00 H ATOM 20 HG2 LYS A 1 -0.820 -5.221 -5.884 1.00 0.00 H ATOM 21 HG3 LYS A 1 -0.398 -3.822 -6.879 1.00 0.00 H ATOM 22 HD2 LYS A 1 1.770 -4.501 -6.685 1.00 0.00 H ATOM 23 HD3 LYS A 1 1.681 -3.751 -5.102 1.00 0.00 H ATOM 24 HE2 LYS A 1 0.712 -6.462 -4.726 1.00 0.00 H ATOM 25 HE3 LYS A 1 2.085 -6.566 -5.829 1.00 0.00 H ATOM 26 HZ1 LYS A 1 2.131 -6.401 -3.018 1.00 0.45 H ATOM 27 HZ2 LYS A 1 2.791 -4.912 -3.537 1.00 0.45 H ATOM 28 HZ3 LYS A 1 3.477 -6.394 -4.082 1.00 0.45 H ATOM 29 N PHE A 2 1.504 -3.435 -1.941 1.00 -0.73 N ATOM 30 CA PHE A 2 2.697 -2.728 -1.469 1.00 0.36 C ATOM 31 C PHE A 2 3.850 -2.849 -2.444 1.00 0.57 C ATOM 32 O PHE A 2 4.906 -3.313 -2.049 1.00 -0.57 O ATOM 33 CB PHE A 2 3.093 -3.313 -0.087 1.00 0.14 C ATOM 34 CG PHE A 2 1.920 -3.277 0.903 1.00 -0.14 C ATOM 35 CD1 PHE A 2 1.250 -2.077 1.162 1.00 -0.15 C ATOM 36 CD2 PHE A 2 1.508 -4.439 1.565 1.00 -0.15 C ATOM 37 CE1 PHE A 2 0.172 -2.040 2.048 1.00 -0.15 C ATOM 38 CE2 PHE A 2 0.449 -4.399 2.475 1.00 -0.15 C ATOM 39 CZ PHE A 2 -0.222 -3.200 2.716 1.00 -0.15 C ATOM 40 H PHE A 2 1.323 -4.360 -1.603 1.00 0.37 H ATOM 41 HA PHE A 2 2.505 -1.651 -1.362 1.00 0.00 H ATOM 42 HB2 PHE A 2 3.423 -4.354 -0.232 1.00 0.00 H ATOM 43 HB3 PHE A 2 3.930 -2.742 0.343 1.00 0.00 H ATOM 44 HD1 PHE A 2 1.557 -1.154 0.684 1.00 0.15 H ATOM 45 HD2 PHE A 2 2.007 -5.385 1.385 1.00 0.15 H ATOM 46 HE1 PHE A 2 -0.355 -1.108 2.219 1.00 0.15 H ATOM 47 HE2 PHE A 2 0.147 -5.300 2.997 1.00 0.15 H ATOM 48 HZ PHE A 2 -1.046 -3.167 3.421 1.00 0.15 H ATOM 49 N GLU A 3 3.684 -2.450 -3.726 1.00 -0.73 N ATOM 50 CA GLU A 3 4.770 -2.608 -4.696 1.00 0.36 C ATOM 51 C GLU A 3 4.419 -1.800 -5.925 1.00 0.57 C ATOM 52 O GLU A 3 4.242 -2.348 -7.002 1.00 -0.57 O ATOM 53 CB GLU A 3 5.033 -4.102 -5.039 1.00 0.00 C ATOM 54 CG GLU A 3 6.258 -4.332 -5.955 1.00 -0.11 C ATOM 55 CD GLU A 3 7.061 -5.539 -5.569 1.00 0.91 C ATOM 56 OE1 GLU A 3 6.728 -6.658 -6.042 1.00 -0.90 O ATOM 57 OE2 GLU A 3 8.039 -5.365 -4.793 1.00 -0.90 O ATOM 58 H GLU A 3 2.828 -2.019 -4.038 1.00 0.37 H ATOM 59 HA GLU A 3 5.687 -2.184 -4.258 1.00 0.00 H ATOM 60 HB2 GLU A 3 5.228 -4.650 -4.107 1.00 0.00 H ATOM 61 HB3 GLU A 3 4.151 -4.533 -5.535 1.00 0.00 H ATOM 62 HG2 GLU A 3 5.929 -4.453 -6.999 1.00 0.00 H ATOM 63 HG3 GLU A 3 6.950 -3.487 -5.857 1.00 0.00 H ATOM 64 N ASP A 4 4.295 -0.466 -5.760 1.00 -0.73 N ATOM 65 CA ASP A 4 3.870 0.377 -6.870 1.00 0.36 C ATOM 66 C ASP A 4 4.368 1.774 -6.601 1.00 0.57 C ATOM 67 O ASP A 4 4.998 1.968 -5.574 1.00 -0.57 O ATOM 68 CB ASP A 4 2.326 0.396 -6.966 1.00 -0.11 C ATOM 69 CG ASP A 4 1.719 -0.968 -6.836 1.00 0.91 C ATOM 70 OD1 ASP A 4 1.738 -1.482 -5.688 1.00 -0.90 O ATOM 71 OD2 ASP A 4 1.215 -1.527 -7.849 1.00 -0.90 O ATOM 72 H ASP A 4 4.419 -0.033 -4.865 1.00 0.37 H ATOM 73 HA ASP A 4 4.300 0.027 -7.818 1.00 0.00 H ATOM 74 HB2 ASP A 4 1.954 0.998 -6.126 1.00 0.00 H ATOM 75 HB3 ASP A 4 1.987 0.845 -7.910 1.00 0.00 H ATOM 76 N TRP A 5 4.103 2.753 -7.492 1.00 -0.73 N ATOM 77 CA TRP A 5 4.540 4.121 -7.236 1.00 0.36 C ATOM 78 C TRP A 5 3.596 5.085 -7.904 1.00 0.57 C ATOM 79 O TRP A 5 2.870 4.651 -8.783 1.00 -0.57 O ATOM 80 CB TRP A 5 5.956 4.332 -7.809 1.00 0.18 C ATOM 81 CG TRP A 5 5.970 3.887 -9.242 1.00 -0.18 C ATOM 82 CD1 TRP A 5 6.266 2.656 -9.674 1.00 -0.30 C ATOM 83 CD2 TRP A 5 5.650 4.697 -10.464 1.00 0.00 C ATOM 84 NE1 TRP A 5 6.223 2.612 -10.977 1.00 0.03 N ATOM 85 CE2 TRP A 5 5.890 3.810 -11.491 1.00 -0.15 C ATOM 86 CE3 TRP A 5 5.207 5.994 -10.706 1.00 -0.15 C ATOM 87 CZ2 TRP A 5 5.780 4.182 -12.822 1.00 -0.15 C ATOM 88 CZ3 TRP A 5 5.003 6.341 -12.041 1.00 -0.15 C ATOM 89 CH2 TRP A 5 5.363 5.488 -13.087 1.00 -0.15 C ATOM 90 H TRP A 5 3.624 2.565 -8.355 1.00 0.37 H ATOM 91 HA TRP A 5 4.543 4.335 -6.156 1.00 0.00 H ATOM 92 HB2 TRP A 5 6.269 5.385 -7.746 1.00 0.00 H ATOM 93 HB3 TRP A 5 6.665 3.717 -7.233 1.00 0.00 H ATOM 94 HD1 TRP A 5 6.483 1.875 -8.966 1.00 0.15 H ATOM 95 HE1 TRP A 5 6.398 1.776 -11.547 1.00 0.27 H ATOM 96 HE3 TRP A 5 5.042 6.673 -9.889 1.00 0.15 H ATOM 97 HZ2 TRP A 5 6.013 3.507 -13.617 1.00 0.15 H ATOM 98 HZ3 TRP A 5 4.569 7.282 -12.315 1.00 0.15 H ATOM 99 HH2 TRP A 5 5.340 5.853 -14.098 1.00 0.15 H ATOM 100 N LEU A 6 3.601 6.374 -7.489 1.00 -0.73 N ATOM 101 CA LEU A 6 2.650 7.344 -8.023 1.00 0.36 C ATOM 102 C LEU A 6 3.325 8.282 -8.991 1.00 0.57 C ATOM 103 O LEU A 6 4.422 8.727 -8.695 1.00 -0.57 O ATOM 104 CB LEU A 6 2.087 8.232 -6.890 1.00 0.00 C ATOM 105 CG LEU A 6 1.389 7.392 -5.780 1.00 0.00 C ATOM 106 CD1 LEU A 6 2.112 7.557 -4.416 1.00 0.00 C ATOM 107 CD2 LEU A 6 -0.101 7.797 -5.653 1.00 0.00 C ATOM 108 H LEU A 6 4.258 6.698 -6.808 1.00 0.37 H ATOM 109 HA LEU A 6 1.799 6.839 -8.495 1.00 0.00 H ATOM 110 HB2 LEU A 6 2.919 8.820 -6.476 1.00 0.00 H ATOM 111 HB3 LEU A 6 1.379 8.941 -7.350 1.00 0.00 H ATOM 112 HG LEU A 6 1.402 6.322 -6.042 1.00 0.00 H ATOM 113 HD11 LEU A 6 3.063 7.002 -4.432 1.00 0.00 H ATOM 114 HD12 LEU A 6 1.491 7.159 -3.601 1.00 0.00 H ATOM 115 HD13 LEU A 6 2.321 8.616 -4.200 1.00 0.00 H ATOM 116 HD21 LEU A 6 -0.182 8.838 -5.305 1.00 0.00 H ATOM 117 HD22 LEU A 6 -0.612 7.138 -4.934 1.00 0.00 H ATOM 118 HD23 LEU A 6 -0.605 7.698 -6.627 1.00 0.00 H ATOM 119 N CYS A 7 2.702 8.588 -10.147 1.00 -0.73 N ATOM 120 CA CYS A 7 3.366 9.458 -11.113 1.00 0.36 C ATOM 121 C CYS A 7 3.433 10.878 -10.626 1.00 0.57 C ATOM 122 O CYS A 7 2.575 11.282 -9.859 1.00 -0.57 O ATOM 123 CB CYS A 7 2.609 9.369 -12.466 1.00 0.05 C ATOM 124 SG CYS A 7 3.287 10.374 -13.826 1.00 -1.05 S ATOM 125 H CYS A 7 1.793 8.225 -10.363 1.00 0.37 H ATOM 126 HA CYS A 7 4.411 9.147 -11.216 1.00 0.00 H ATOM 127 HB2 CYS A 7 2.511 8.322 -12.791 1.00 0.00 H ATOM 128 HB3 CYS A 7 1.607 9.770 -12.310 1.00 0.00 H ATOM 129 N ASN A 8 4.444 11.649 -11.087 1.00 -0.73 N ATOM 130 CA ASN A 8 4.578 13.043 -10.663 1.00 0.36 C ATOM 131 C ASN A 8 3.980 13.958 -11.708 1.00 0.57 C ATOM 132 O ASN A 8 4.428 15.081 -11.873 1.00 -0.57 O ATOM 133 CB ASN A 8 6.078 13.349 -10.408 1.00 0.06 C ATOM 134 CG ASN A 8 6.345 13.876 -9.023 1.00 0.57 C ATOM 135 OD1 ASN A 8 5.946 14.989 -8.723 1.00 -0.57 O ATOM 136 ND2 ASN A 8 7.020 13.104 -8.144 1.00 -0.80 N ATOM 137 H ASN A 8 5.086 11.298 -11.777 1.00 0.37 H ATOM 138 HA ASN A 8 4.036 13.214 -9.720 1.00 0.00 H ATOM 139 HB2 ASN A 8 6.607 12.398 -10.471 1.00 0.00 H ATOM 140 HB3 ASN A 8 6.509 14.019 -11.167 1.00 0.00 H ATOM 141 HD21 ASN A 8 7.355 12.189 -8.373 1.00 0.37 H ATOM 142 HD22 ASN A 8 7.194 13.465 -7.231 1.00 0.37 H ATOM 143 N LYS A 9 2.950 13.472 -12.430 1.00 -0.73 N ATOM 144 CA LYS A 9 2.329 14.243 -13.497 1.00 0.36 C ATOM 145 C LYS A 9 0.832 14.041 -13.459 1.00 0.57 C ATOM 146 O LYS A 9 0.114 15.027 -13.416 1.00 -0.57 O ATOM 147 CB LYS A 9 2.937 13.804 -14.855 1.00 0.00 C ATOM 148 CG LYS A 9 2.943 14.942 -15.903 1.00 0.00 C ATOM 149 CD LYS A 9 4.020 16.011 -15.583 1.00 0.00 C ATOM 150 CE LYS A 9 4.212 16.972 -16.780 1.00 0.50 C ATOM 151 NZ LYS A 9 5.012 18.149 -16.386 1.00 -0.85 N ATOM 152 H LYS A 9 2.630 12.551 -12.275 1.00 0.37 H ATOM 153 HA LYS A 9 2.493 15.309 -13.305 1.00 0.00 H ATOM 154 HB2 LYS A 9 3.967 13.446 -14.706 1.00 0.00 H ATOM 155 HB3 LYS A 9 2.351 12.967 -15.257 1.00 0.00 H ATOM 156 HG2 LYS A 9 3.165 14.502 -16.887 1.00 0.00 H ATOM 157 HG3 LYS A 9 1.945 15.409 -15.945 1.00 0.00 H ATOM 158 HD2 LYS A 9 3.717 16.601 -14.708 1.00 0.00 H ATOM 159 HD3 LYS A 9 4.981 15.528 -15.358 1.00 0.00 H ATOM 160 HE2 LYS A 9 4.711 16.436 -17.605 1.00 0.00 H ATOM 161 HE3 LYS A 9 3.225 17.310 -17.132 1.00 0.00 H ATOM 162 HZ1 LYS A 9 4.639 18.635 -15.497 1.00 0.45 H ATOM 163 HZ2 LYS A 9 5.026 18.877 -17.182 1.00 0.45 H ATOM 164 HZ3 LYS A 9 6.031 17.811 -16.217 1.00 0.45 H ATOM 165 N CYS A 10 0.344 12.781 -13.457 1.00 -0.73 N ATOM 166 CA CYS A 10 -1.076 12.526 -13.259 1.00 0.36 C ATOM 167 C CYS A 10 -1.370 11.830 -11.945 1.00 0.57 C ATOM 168 O CYS A 10 -2.528 11.520 -11.715 1.00 -0.57 O ATOM 169 CB CYS A 10 -1.535 11.638 -14.429 1.00 0.05 C ATOM 170 SG CYS A 10 -0.719 10.042 -14.256 1.00 -1.05 S ATOM 171 H CYS A 10 0.934 11.991 -13.582 1.00 0.37 H ATOM 172 HA CYS A 10 -1.676 13.446 -13.306 1.00 0.00 H ATOM 173 HB2 CYS A 10 -2.617 11.484 -14.383 1.00 0.00 H ATOM 174 HB3 CYS A 10 -1.264 12.086 -15.395 1.00 0.00 H ATOM 175 N CYS A 11 -0.379 11.571 -11.059 1.00 -0.73 N ATOM 176 CA CYS A 11 -0.677 10.963 -9.765 1.00 0.36 C ATOM 177 C CYS A 11 -1.227 9.560 -9.874 1.00 0.57 C ATOM 178 O CYS A 11 -1.834 9.083 -8.929 1.00 -0.57 O ATOM 179 CB CYS A 11 -1.599 11.888 -8.935 1.00 0.23 C ATOM 180 SG CYS A 11 -1.015 13.612 -9.084 1.00 -0.41 S ATOM 181 H CYS A 11 0.573 11.815 -11.224 1.00 0.37 H ATOM 182 HA CYS A 11 0.255 10.866 -9.189 1.00 0.00 H ATOM 183 HB2 CYS A 11 -2.642 11.828 -9.276 1.00 0.00 H ATOM 184 HB3 CYS A 11 -1.564 11.596 -7.874 1.00 0.00 H ATOM 185 HG CYS A 11 -1.224 13.763 -10.059 1.00 0.18 H ATOM 186 N LEU A 12 -1.021 8.881 -11.021 1.00 -0.73 N ATOM 187 CA LEU A 12 -1.571 7.552 -11.211 1.00 0.36 C ATOM 188 C LEU A 12 -0.640 6.538 -10.591 1.00 0.57 C ATOM 189 O LEU A 12 0.551 6.568 -10.859 1.00 -0.57 O ATOM 190 CB LEU A 12 -1.805 7.261 -12.717 1.00 0.00 C ATOM 191 CG LEU A 12 -2.461 5.887 -13.051 1.00 0.00 C ATOM 192 CD1 LEU A 12 -1.438 4.730 -13.189 1.00 0.00 C ATOM 193 CD2 LEU A 12 -3.673 5.492 -12.174 1.00 0.00 C ATOM 194 H LEU A 12 -0.497 9.266 -11.764 1.00 0.37 H ATOM 195 HA LEU A 12 -2.560 7.561 -10.735 1.00 0.00 H ATOM 196 HB2 LEU A 12 -2.473 8.059 -13.077 1.00 0.00 H ATOM 197 HB3 LEU A 12 -0.856 7.337 -13.271 1.00 0.00 H ATOM 198 HG LEU A 12 -2.917 6.001 -14.037 1.00 0.00 H ATOM 199 HD11 LEU A 12 -1.885 3.772 -12.893 1.00 0.00 H ATOM 200 HD12 LEU A 12 -0.563 4.911 -12.559 1.00 0.00 H ATOM 201 HD13 LEU A 12 -1.101 4.634 -14.232 1.00 0.00 H ATOM 202 HD21 LEU A 12 -4.348 4.844 -12.753 1.00 0.00 H ATOM 203 HD22 LEU A 12 -4.237 6.382 -11.866 1.00 0.00 H ATOM 204 HD23 LEU A 12 -3.357 4.935 -11.286 1.00 0.00 H ATOM 205 N ASN A 13 -1.200 5.637 -9.760 1.00 -0.73 N ATOM 206 CA ASN A 13 -0.434 4.533 -9.197 1.00 0.36 C ATOM 207 C ASN A 13 -0.044 3.506 -10.239 1.00 0.57 C ATOM 208 O ASN A 13 -0.944 2.846 -10.733 1.00 -0.57 O ATOM 209 CB ASN A 13 -1.282 3.870 -8.081 1.00 0.06 C ATOM 210 CG ASN A 13 -0.810 2.471 -7.805 1.00 0.57 C ATOM 211 OD1 ASN A 13 0.063 2.314 -6.971 1.00 -0.57 O ATOM 212 ND2 ASN A 13 -1.363 1.444 -8.480 1.00 -0.80 N ATOM 213 H ASN A 13 -2.161 5.720 -9.510 1.00 0.37 H ATOM 214 HA ASN A 13 0.457 4.933 -8.705 1.00 0.00 H ATOM 215 HB2 ASN A 13 -1.202 4.484 -7.170 1.00 0.00 H ATOM 216 HB3 ASN A 13 -2.346 3.802 -8.347 1.00 0.00 H ATOM 217 HD21 ASN A 13 -2.064 1.599 -9.179 1.00 0.37 H ATOM 218 HD22 ASN A 13 -1.053 0.512 -8.291 1.00 0.37 H ATOM 219 N ASN A 14 1.262 3.342 -10.570 1.00 -0.73 N ATOM 220 CA ASN A 14 1.679 2.324 -11.535 1.00 0.36 C ATOM 221 C ASN A 14 2.512 1.251 -10.883 1.00 0.57 C ATOM 222 O ASN A 14 3.210 1.532 -9.920 1.00 -0.57 O ATOM 223 CB ASN A 14 2.613 2.878 -12.631 1.00 0.06 C ATOM 224 CG ASN A 14 1.825 3.774 -13.531 1.00 0.57 C ATOM 225 OD1 ASN A 14 1.141 3.287 -14.417 1.00 -0.57 O ATOM 226 ND2 ASN A 14 1.893 5.095 -13.317 1.00 -0.80 N ATOM 227 H ASN A 14 1.984 3.885 -10.133 1.00 0.37 H ATOM 228 HA ASN A 14 0.806 1.884 -12.042 1.00 0.00 H ATOM 229 HB2 ASN A 14 3.419 3.423 -12.130 1.00 0.00 H ATOM 230 HB3 ASN A 14 3.055 2.072 -13.238 1.00 0.00 H ATOM 231 HD21 ASN A 14 2.474 5.519 -12.626 1.00 0.37 H ATOM 232 HD22 ASN A 14 1.290 5.660 -13.857 1.00 0.37 H ATOM 233 N PHE A 15 2.446 0.021 -11.437 1.00 -0.73 N ATOM 234 CA PHE A 15 3.157 -1.105 -10.842 1.00 0.36 C ATOM 235 C PHE A 15 4.637 -0.822 -10.699 1.00 0.57 C ATOM 236 O PHE A 15 5.194 -0.060 -11.477 1.00 -0.57 O ATOM 237 CB PHE A 15 2.991 -2.423 -11.657 1.00 0.14 C ATOM 238 CG PHE A 15 2.561 -3.597 -10.770 1.00 -0.14 C ATOM 239 CD1 PHE A 15 3.515 -4.393 -10.130 1.00 -0.15 C ATOM 240 CD2 PHE A 15 1.203 -3.890 -10.607 1.00 -0.15 C ATOM 241 CE1 PHE A 15 3.116 -5.473 -9.341 1.00 -0.15 C ATOM 242 CE2 PHE A 15 0.804 -4.994 -9.851 1.00 -0.15 C ATOM 243 CZ PHE A 15 1.761 -5.787 -9.217 1.00 -0.15 C ATOM 244 H PHE A 15 1.863 -0.139 -12.231 1.00 0.37 H ATOM 245 HA PHE A 15 2.710 -1.248 -9.848 1.00 0.00 H ATOM 246 HB2 PHE A 15 2.228 -2.337 -12.443 1.00 0.00 H ATOM 247 HB3 PHE A 15 3.936 -2.671 -12.164 1.00 0.00 H ATOM 248 HD1 PHE A 15 4.572 -4.182 -10.246 1.00 0.15 H ATOM 249 HD2 PHE A 15 0.445 -3.265 -11.069 1.00 0.15 H ATOM 250 HE1 PHE A 15 3.861 -6.071 -8.826 1.00 0.15 H ATOM 251 HE2 PHE A 15 -0.250 -5.234 -9.755 1.00 0.15 H ATOM 252 HZ PHE A 15 1.452 -6.646 -8.630 1.00 0.15 H ATOM 253 N ARG A 16 5.292 -1.455 -9.702 1.00 -0.73 N ATOM 254 CA ARG A 16 6.729 -1.257 -9.515 1.00 0.36 C ATOM 255 C ARG A 16 7.516 -1.923 -10.613 1.00 0.57 C ATOM 256 O ARG A 16 8.004 -3.028 -10.450 1.00 -0.57 O ATOM 257 CB ARG A 16 7.264 -1.689 -8.126 1.00 0.00 C ATOM 258 CG ARG A 16 7.420 -0.557 -7.071 1.00 0.00 C ATOM 259 CD ARG A 16 8.884 -0.042 -6.993 1.00 0.33 C ATOM 260 NE ARG A 16 9.316 0.624 -8.222 1.00 -0.84 N ATOM 261 CZ ARG A 16 10.560 0.762 -8.612 1.00 1.20 C ATOM 262 NH1 ARG A 16 11.589 0.385 -7.899 1.00 -0.97 N ATOM 263 NH2 ARG A 16 10.782 1.314 -9.780 1.00 -0.97 N ATOM 264 H ARG A 16 4.785 -2.063 -9.085 1.00 0.37 H ATOM 265 HA ARG A 16 6.911 -0.193 -9.615 1.00 0.00 H ATOM 266 HB2 ARG A 16 6.535 -2.405 -7.772 1.00 0.00 H ATOM 267 HB3 ARG A 16 8.218 -2.230 -8.201 1.00 0.00 H ATOM 268 HG2 ARG A 16 6.715 0.265 -7.241 1.00 0.00 H ATOM 269 HG3 ARG A 16 7.188 -0.978 -6.080 1.00 0.00 H ATOM 270 HD2 ARG A 16 8.963 0.679 -6.165 1.00 0.00 H ATOM 271 HD3 ARG A 16 9.484 -0.932 -6.748 1.00 0.00 H ATOM 272 HE ARG A 16 8.583 1.003 -8.818 1.00 0.45 H ATOM 273 HH11 ARG A 16 11.478 -0.023 -6.965 1.00 0.45 H ATOM 274 HH12 ARG A 16 12.548 0.504 -8.252 1.00 0.45 H ATOM 275 HH21 ARG A 16 10.007 1.597 -10.396 1.00 0.45 H ATOM 276 HH22 ARG A 16 11.740 1.452 -10.130 1.00 0.45 H ATOM 277 N LYS A 17 7.656 -1.228 -11.758 1.00 -0.73 N ATOM 278 CA LYS A 17 8.410 -1.778 -12.870 1.00 0.36 C ATOM 279 C LYS A 17 8.338 -0.812 -14.025 1.00 0.57 C ATOM 280 O LYS A 17 9.362 -0.492 -14.607 1.00 -0.57 O ATOM 281 CB LYS A 17 7.808 -3.130 -13.341 1.00 0.00 C ATOM 282 CG LYS A 17 8.887 -4.239 -13.308 1.00 0.00 C ATOM 283 CD LYS A 17 8.341 -5.582 -13.854 1.00 0.00 C ATOM 284 CE LYS A 17 8.402 -5.648 -15.401 1.00 0.50 C ATOM 285 NZ LYS A 17 8.022 -6.991 -15.888 1.00 -0.85 N ATOM 286 H LYS A 17 7.258 -0.321 -11.849 1.00 0.37 H ATOM 287 HA LYS A 17 9.461 -1.877 -12.553 1.00 0.00 H ATOM 288 HB2 LYS A 17 6.964 -3.416 -12.696 1.00 0.00 H ATOM 289 HB3 LYS A 17 7.413 -3.028 -14.362 1.00 0.00 H ATOM 290 HG2 LYS A 17 9.765 -3.925 -13.892 1.00 0.00 H ATOM 291 HG3 LYS A 17 9.204 -4.389 -12.264 1.00 0.00 H ATOM 292 HD2 LYS A 17 8.956 -6.402 -13.451 1.00 0.00 H ATOM 293 HD3 LYS A 17 7.304 -5.724 -13.509 1.00 0.00 H ATOM 294 HE2 LYS A 17 7.723 -4.894 -15.830 1.00 0.00 H ATOM 295 HE3 LYS A 17 9.426 -5.428 -15.747 1.00 0.00 H ATOM 296 HZ1 LYS A 17 7.661 -6.941 -16.905 1.00 0.45 H ATOM 297 HZ2 LYS A 17 7.246 -7.443 -15.287 1.00 0.45 H ATOM 298 HZ3 LYS A 17 8.873 -7.659 -15.874 1.00 0.45 H ATOM 299 N ARG A 18 7.109 -0.358 -14.356 1.00 -0.73 N ATOM 300 CA ARG A 18 6.955 0.563 -15.469 1.00 0.36 C ATOM 301 C ARG A 18 8.010 1.647 -15.370 1.00 0.57 C ATOM 302 O ARG A 18 7.968 2.451 -14.455 1.00 -0.57 O ATOM 303 CB ARG A 18 5.518 1.171 -15.564 1.00 0.00 C ATOM 304 CG ARG A 18 4.947 1.141 -16.999 1.00 0.00 C ATOM 305 CD ARG A 18 4.355 -0.255 -17.307 1.00 0.33 C ATOM 306 NE ARG A 18 4.221 -0.462 -18.744 1.00 -0.84 N ATOM 307 CZ ARG A 18 3.895 -1.614 -19.277 1.00 1.20 C ATOM 308 NH1 ARG A 18 3.608 -2.674 -18.564 1.00 -0.97 N ATOM 309 NH2 ARG A 18 3.860 -1.712 -20.580 1.00 -0.97 N ATOM 310 H ARG A 18 6.292 -0.696 -13.889 1.00 0.37 H ATOM 311 HA ARG A 18 7.133 -0.049 -16.364 1.00 0.00 H ATOM 312 HB2 ARG A 18 4.793 0.681 -14.896 1.00 0.00 H ATOM 313 HB3 ARG A 18 5.543 2.229 -15.305 1.00 0.00 H ATOM 314 HG2 ARG A 18 4.137 1.879 -17.092 1.00 0.00 H ATOM 315 HG3 ARG A 18 5.750 1.419 -17.700 1.00 0.00 H ATOM 316 HD2 ARG A 18 5.041 -1.009 -16.896 1.00 0.00 H ATOM 317 HD3 ARG A 18 3.374 -0.339 -16.814 1.00 0.00 H ATOM 318 HE ARG A 18 4.427 0.340 -19.355 1.00 0.45 H ATOM 319 HH11 ARG A 18 3.601 -2.652 -17.538 1.00 0.45 H ATOM 320 HH12 ARG A 18 3.372 -3.567 -19.018 1.00 0.45 H ATOM 321 HH21 ARG A 18 4.096 -0.913 -21.181 1.00 0.45 H ATOM 322 HH22 ARG A 18 3.600 -2.595 -21.041 1.00 0.45 H ATOM 323 N LEU A 19 8.983 1.695 -16.303 1.00 -0.73 N ATOM 324 CA LEU A 19 9.932 2.803 -16.306 1.00 0.36 C ATOM 325 C LEU A 19 9.214 4.119 -16.428 1.00 0.57 C ATOM 326 O LEU A 19 9.783 5.123 -16.031 1.00 -0.57 O ATOM 327 CB LEU A 19 10.905 2.690 -17.510 1.00 0.00 C ATOM 328 CG LEU A 19 12.137 1.806 -17.171 1.00 0.00 C ATOM 329 CD1 LEU A 19 12.815 1.354 -18.490 1.00 0.00 C ATOM 330 CD2 LEU A 19 13.132 2.561 -16.241 1.00 0.00 C ATOM 331 H LEU A 19 9.068 0.984 -16.999 1.00 0.37 H ATOM 332 HA LEU A 19 10.482 2.829 -15.353 1.00 0.00 H ATOM 333 HB2 LEU A 19 10.361 2.288 -18.379 1.00 0.00 H ATOM 334 HB3 LEU A 19 11.258 3.690 -17.807 1.00 0.00 H ATOM 335 HG LEU A 19 11.807 0.889 -16.654 1.00 0.00 H ATOM 336 HD11 LEU A 19 12.169 0.618 -18.994 1.00 0.00 H ATOM 337 HD12 LEU A 19 13.785 0.873 -18.297 1.00 0.00 H ATOM 338 HD13 LEU A 19 12.967 2.213 -19.161 1.00 0.00 H ATOM 339 HD21 LEU A 19 13.159 3.638 -16.459 1.00 0.00 H ATOM 340 HD22 LEU A 19 14.154 2.170 -16.352 1.00 0.00 H ATOM 341 HD23 LEU A 19 12.841 2.429 -15.188 1.00 0.00 H ATOM 342 N LYS A 20 7.981 4.144 -16.971 1.00 -0.73 N ATOM 343 CA LYS A 20 7.305 5.415 -17.126 1.00 0.36 C ATOM 344 C LYS A 20 5.830 5.227 -16.956 1.00 0.57 C ATOM 345 O LYS A 20 5.336 4.127 -17.139 1.00 -0.57 O ATOM 346 CB LYS A 20 7.621 6.019 -18.514 1.00 0.00 C ATOM 347 CG LYS A 20 7.247 5.066 -19.675 1.00 0.00 C ATOM 348 CD LYS A 20 7.736 5.682 -21.009 1.00 0.00 C ATOM 349 CE LYS A 20 6.943 5.163 -22.236 1.00 0.50 C ATOM 350 NZ LYS A 20 6.986 6.142 -23.345 1.00 -0.85 N ATOM 351 H LYS A 20 7.498 3.335 -17.298 1.00 0.37 H ATOM 352 HA LYS A 20 7.614 6.080 -16.308 1.00 0.00 H ATOM 353 HB2 LYS A 20 7.034 6.941 -18.643 1.00 0.00 H ATOM 354 HB3 LYS A 20 8.694 6.257 -18.569 1.00 0.00 H ATOM 355 HG2 LYS A 20 7.712 4.075 -19.560 1.00 0.00 H ATOM 356 HG3 LYS A 20 6.153 4.949 -19.663 1.00 0.00 H ATOM 357 HD2 LYS A 20 7.623 6.774 -20.956 1.00 0.00 H ATOM 358 HD3 LYS A 20 8.807 5.454 -21.144 1.00 0.00 H ATOM 359 HE2 LYS A 20 7.369 4.195 -22.548 1.00 0.00 H ATOM 360 HE3 LYS A 20 5.885 4.997 -21.977 1.00 0.00 H ATOM 361 HZ1 LYS A 20 6.120 6.791 -23.302 1.00 0.45 H ATOM 362 HZ2 LYS A 20 6.988 5.650 -24.306 1.00 0.45 H ATOM 363 HZ3 LYS A 20 7.851 6.790 -23.322 1.00 0.45 H ATOM 364 N CYS A 21 5.131 6.311 -16.585 1.00 -0.73 N ATOM 365 CA CYS A 21 3.720 6.185 -16.296 1.00 0.36 C ATOM 366 C CYS A 21 2.969 5.674 -17.493 1.00 0.57 C ATOM 367 O CYS A 21 3.130 6.230 -18.567 1.00 -0.57 O ATOM 368 CB CYS A 21 3.219 7.574 -15.871 1.00 0.05 C ATOM 369 SG CYS A 21 1.463 7.433 -15.558 1.00 -1.05 S ATOM 370 H CYS A 21 5.562 7.212 -16.484 1.00 0.37 H ATOM 371 HA CYS A 21 3.573 5.497 -15.452 1.00 0.00 H ATOM 372 HB2 CYS A 21 3.738 7.885 -14.954 1.00 0.00 H ATOM 373 HB3 CYS A 21 3.350 8.325 -16.662 1.00 0.00 H ATOM 374 N PHE A 22 2.145 4.618 -17.326 1.00 -0.73 N ATOM 375 CA PHE A 22 1.399 4.095 -18.461 1.00 0.36 C ATOM 376 C PHE A 22 0.185 4.942 -18.767 1.00 0.57 C ATOM 377 O PHE A 22 -0.328 4.882 -19.872 1.00 -0.57 O ATOM 378 CB PHE A 22 0.990 2.638 -18.116 1.00 0.14 C ATOM 379 CG PHE A 22 0.836 1.778 -19.370 1.00 -0.14 C ATOM 380 CD1 PHE A 22 1.929 1.609 -20.226 1.00 -0.15 C ATOM 381 CD2 PHE A 22 -0.376 1.149 -19.666 1.00 -0.15 C ATOM 382 CE1 PHE A 22 1.803 0.847 -21.388 1.00 -0.15 C ATOM 383 CE2 PHE A 22 -0.483 0.335 -20.795 1.00 -0.15 C ATOM 384 CZ PHE A 22 0.608 0.174 -21.650 1.00 -0.15 C ATOM 385 H PHE A 22 1.995 4.207 -16.423 1.00 0.37 H ATOM 386 HA PHE A 22 2.052 4.122 -19.344 1.00 0.00 H ATOM 387 HB2 PHE A 22 1.779 2.140 -17.534 1.00 0.00 H ATOM 388 HB3 PHE A 22 0.076 2.652 -17.502 1.00 0.00 H ATOM 389 HD1 PHE A 22 2.883 2.069 -19.999 1.00 0.15 H ATOM 390 HD2 PHE A 22 -1.238 1.286 -19.022 1.00 0.15 H ATOM 391 HE1 PHE A 22 2.628 0.783 -22.086 1.00 0.15 H ATOM 392 HE2 PHE A 22 -1.418 -0.171 -21.009 1.00 0.15 H ATOM 393 HZ PHE A 22 0.530 -0.470 -22.519 1.00 0.15 H ATOM 394 N ARG A 23 -0.285 5.734 -17.783 1.00 -0.73 N ATOM 395 CA ARG A 23 -1.453 6.585 -17.975 1.00 0.36 C ATOM 396 C ARG A 23 -1.138 7.796 -18.827 1.00 0.57 C ATOM 397 O ARG A 23 -1.674 7.893 -19.918 1.00 -0.57 O ATOM 398 CB ARG A 23 -2.003 7.015 -16.586 1.00 0.00 C ATOM 399 CG ARG A 23 -3.504 7.417 -16.628 1.00 0.00 C ATOM 400 CD ARG A 23 -3.907 8.643 -15.748 1.00 0.33 C ATOM 401 NE ARG A 23 -4.677 8.341 -14.539 1.00 -0.84 N ATOM 402 CZ ARG A 23 -5.266 9.255 -13.800 1.00 1.20 C ATOM 403 NH1 ARG A 23 -5.248 10.534 -14.077 1.00 -0.97 N ATOM 404 NH2 ARG A 23 -5.918 8.877 -12.728 1.00 -0.97 N ATOM 405 H ARG A 23 0.142 5.723 -16.890 1.00 0.37 H ATOM 406 HA ARG A 23 -2.225 5.971 -18.466 1.00 0.00 H ATOM 407 HB2 ARG A 23 -1.903 6.123 -15.964 1.00 0.00 H ATOM 408 HB3 ARG A 23 -1.383 7.796 -16.131 1.00 0.00 H ATOM 409 HG2 ARG A 23 -3.732 7.683 -17.671 1.00 0.00 H ATOM 410 HG3 ARG A 23 -4.115 6.536 -16.379 1.00 0.00 H ATOM 411 HD2 ARG A 23 -3.027 9.231 -15.466 1.00 0.00 H ATOM 412 HD3 ARG A 23 -4.534 9.262 -16.406 1.00 0.00 H ATOM 413 HE ARG A 23 -4.764 7.356 -14.269 1.00 0.45 H ATOM 414 HH11 ARG A 23 -4.776 10.899 -14.909 1.00 0.45 H ATOM 415 HH12 ARG A 23 -5.719 11.217 -13.468 1.00 0.45 H ATOM 416 HH21 ARG A 23 -5.981 7.887 -12.461 1.00 0.45 H ATOM 417 HH22 ARG A 23 -6.390 9.562 -12.121 1.00 0.45 H ATOM 418 N CYS A 24 -0.288 8.739 -18.358 1.00 -0.73 N ATOM 419 CA CYS A 24 0.038 9.910 -19.157 1.00 0.36 C ATOM 420 C CYS A 24 1.140 9.557 -20.127 1.00 0.57 C ATOM 421 O CYS A 24 1.286 10.272 -21.104 1.00 -0.57 O ATOM 422 CB CYS A 24 0.369 11.141 -18.263 1.00 0.05 C ATOM 423 SG CYS A 24 1.858 11.020 -17.220 1.00 -1.05 S ATOM 424 H CYS A 24 0.190 8.645 -17.496 1.00 0.37 H ATOM 425 HA CYS A 24 -0.847 10.211 -19.738 1.00 0.00 H ATOM 426 HB2 CYS A 24 0.500 12.032 -18.895 1.00 0.00 H ATOM 427 HB3 CYS A 24 -0.481 11.311 -17.588 1.00 0.00 H ATOM 428 N GLY A 25 1.924 8.475 -19.896 1.00 -0.73 N ATOM 429 CA GLY A 25 3.009 8.147 -20.814 1.00 0.36 C ATOM 430 C GLY A 25 4.317 8.760 -20.369 1.00 0.57 C ATOM 431 O GLY A 25 5.345 8.373 -20.903 1.00 -0.57 O ATOM 432 H GLY A 25 1.846 7.893 -19.085 1.00 0.37 H ATOM 433 HA2 GLY A 25 3.127 7.054 -20.872 1.00 0.00 H ATOM 434 HA3 GLY A 25 2.783 8.493 -21.834 1.00 0.00 H ATOM 435 N ALA A 26 4.302 9.721 -19.420 1.00 -0.73 N ATOM 436 CA ALA A 26 5.517 10.416 -19.025 1.00 0.36 C ATOM 437 C ALA A 26 6.256 9.649 -17.957 1.00 0.57 C ATOM 438 O ALA A 26 5.672 8.803 -17.301 1.00 -0.57 O ATOM 439 CB ALA A 26 5.179 11.831 -18.492 1.00 0.00 C ATOM 440 H ALA A 26 3.467 9.989 -18.959 1.00 0.37 H ATOM 441 HA ALA A 26 6.158 10.542 -19.912 1.00 0.00 H ATOM 442 HB1 ALA A 26 6.100 12.421 -18.366 1.00 0.00 H ATOM 443 HB2 ALA A 26 4.520 12.350 -19.206 1.00 0.00 H ATOM 444 HB3 ALA A 26 4.671 11.765 -17.518 1.00 0.00 H ATOM 445 N ASP A 27 7.561 9.930 -17.769 1.00 -0.73 N ATOM 446 CA ASP A 27 8.321 9.191 -16.766 1.00 0.36 C ATOM 447 C ASP A 27 7.742 9.382 -15.385 1.00 0.57 C ATOM 448 O ASP A 27 6.870 10.214 -15.199 1.00 -0.57 O ATOM 449 CB ASP A 27 9.826 9.538 -16.764 1.00 -0.11 C ATOM 450 CG ASP A 27 10.690 8.399 -16.300 1.00 0.91 C ATOM 451 OD1 ASP A 27 10.711 8.165 -15.058 1.00 -0.90 O ATOM 452 OD2 ASP A 27 11.336 7.740 -17.157 1.00 -0.90 O ATOM 453 H ASP A 27 8.018 10.622 -18.324 1.00 0.37 H ATOM 454 HA ASP A 27 8.265 8.135 -17.029 1.00 0.00 H ATOM 455 HB2 ASP A 27 10.159 9.801 -17.779 1.00 0.00 H ATOM 456 HB3 ASP A 27 9.973 10.379 -16.074 1.00 0.00 H ATOM 457 N LYS A 28 8.246 8.622 -14.394 1.00 -0.73 N ATOM 458 CA LYS A 28 7.707 8.703 -13.047 1.00 0.36 C ATOM 459 C LYS A 28 7.879 10.117 -12.556 1.00 0.57 C ATOM 460 O LYS A 28 6.898 10.716 -12.150 1.00 -0.57 O ATOM 461 CB LYS A 28 8.478 7.759 -12.085 1.00 0.00 C ATOM 462 CG LYS A 28 8.464 6.274 -12.544 1.00 0.00 C ATOM 463 CD LYS A 28 9.726 5.494 -12.100 1.00 0.00 C ATOM 464 CE LYS A 28 9.526 4.872 -10.693 1.00 0.50 C ATOM 465 NZ LYS A 28 10.768 4.930 -9.900 1.00 -0.85 N ATOM 466 H LYS A 28 9.030 8.029 -14.564 1.00 0.37 H ATOM 467 HA LYS A 28 6.642 8.430 -13.062 1.00 0.00 H ATOM 468 HB2 LYS A 28 9.515 8.114 -12.032 1.00 0.00 H ATOM 469 HB3 LYS A 28 8.051 7.841 -11.073 1.00 0.00 H ATOM 470 HG2 LYS A 28 7.607 5.802 -12.072 1.00 0.00 H ATOM 471 HG3 LYS A 28 8.335 6.145 -13.627 1.00 0.00 H ATOM 472 HD2 LYS A 28 9.912 4.679 -12.819 1.00 0.00 H ATOM 473 HD3 LYS A 28 10.614 6.143 -12.125 1.00 0.00 H ATOM 474 HE2 LYS A 28 8.747 5.390 -10.111 1.00 0.00 H ATOM 475 HE3 LYS A 28 9.199 3.829 -10.831 1.00 0.00 H ATOM 476 HZ1 LYS A 28 10.671 4.335 -9.004 1.00 0.45 H ATOM 477 HZ2 LYS A 28 10.946 5.953 -9.595 1.00 0.45 H ATOM 478 HZ3 LYS A 28 11.628 4.590 -10.460 1.00 0.45 H ATOM 479 N PHE A 29 9.127 10.646 -12.611 1.00 -0.73 N ATOM 480 CA PHE A 29 9.406 11.998 -12.136 1.00 0.36 C ATOM 481 C PHE A 29 9.479 12.940 -13.315 1.00 0.57 C ATOM 482 O PHE A 29 10.111 13.975 -13.196 1.00 -0.57 O ATOM 483 CB PHE A 29 10.689 12.018 -11.252 1.00 0.14 C ATOM 484 CG PHE A 29 10.402 12.529 -9.832 1.00 -0.14 C ATOM 485 CD1 PHE A 29 10.402 13.900 -9.562 1.00 -0.15 C ATOM 486 CD2 PHE A 29 10.148 11.628 -8.792 1.00 -0.15 C ATOM 487 CE1 PHE A 29 10.202 14.364 -8.259 1.00 -0.15 C ATOM 488 CE2 PHE A 29 9.957 12.089 -7.488 1.00 -0.15 C ATOM 489 CZ PHE A 29 9.990 13.458 -7.218 1.00 -0.15 C ATOM 490 H PHE A 29 9.880 10.149 -13.045 1.00 0.37 H ATOM 491 HA PHE A 29 8.597 12.373 -11.505 1.00 0.00 H ATOM 492 HB2 PHE A 29 11.104 11.003 -11.167 1.00 0.00 H ATOM 493 HB3 PHE A 29 11.479 12.643 -11.697 1.00 0.00 H ATOM 494 HD1 PHE A 29 10.562 14.614 -10.365 1.00 0.15 H ATOM 495 HD2 PHE A 29 10.099 10.563 -8.990 1.00 0.15 H ATOM 496 HE1 PHE A 29 10.213 15.429 -8.055 1.00 0.15 H ATOM 497 HE2 PHE A 29 9.778 11.384 -6.683 1.00 0.15 H ATOM 498 HZ PHE A 29 9.849 13.818 -6.205 1.00 0.15 H ATOM 499 N ASP A 30 8.833 12.602 -14.454 1.00 -0.73 N ATOM 500 CA ASP A 30 8.895 13.451 -15.641 1.00 0.36 C ATOM 501 C ASP A 30 10.333 13.715 -16.043 1.00 0.57 C ATOM 502 O ASP A 30 10.934 14.675 -15.592 1.00 -0.57 O ATOM 503 CB ASP A 30 8.109 14.755 -15.359 1.00 -0.11 C ATOM 504 CG ASP A 30 7.663 15.453 -16.618 1.00 0.91 C ATOM 505 OD1 ASP A 30 7.818 14.883 -17.731 1.00 -0.90 O ATOM 506 OD2 ASP A 30 7.129 16.594 -16.499 1.00 -0.90 O ATOM 507 H ASP A 30 8.250 11.793 -14.512 1.00 0.37 H ATOM 508 HA ASP A 30 8.380 12.899 -16.444 1.00 0.00 H ATOM 509 HB2 ASP A 30 7.213 14.493 -14.777 1.00 0.00 H ATOM 510 HB3 ASP A 30 8.709 15.456 -14.760 1.00 0.00 H HETATM 511 N NH2 A 31 10.956 12.884 -16.903 1.00 -0.80 N HETATM 512 HN1 NH2 A 31 10.468 12.158 -17.372 1.00 0.37 H HETATM 513 HN2 NH2 A 31 11.926 13.024 -17.097 1.00 0.37 H TER 514 NH2 A 31 HETATM 515 ZN ZN A 32 1.442 9.808 -15.223 1.00 2.00 ZN