HETATM 1 C ACE A 0 -1.152 -4.573 -1.828 1.00 0.57 C HETATM 2 O ACE A 0 -0.459 -5.561 -1.642 1.00 -0.57 O HETATM 3 CH3 ACE A 0 -2.414 -4.401 -1.032 1.00 0.06 C HETATM 4 H1 ACE A 0 -3.275 -4.358 -1.716 1.00 0.00 H HETATM 5 H2 ACE A 0 -2.360 -3.468 -0.453 1.00 0.00 H HETATM 6 H3 ACE A 0 -2.547 -5.248 -0.342 1.00 0.00 H ATOM 7 N LYS A 1 -0.857 -3.609 -2.723 1.00 -0.73 N ATOM 8 CA LYS A 1 0.324 -3.728 -3.564 1.00 0.36 C ATOM 9 C LYS A 1 1.387 -2.811 -3.006 1.00 0.57 C ATOM 10 O LYS A 1 1.353 -1.616 -3.252 1.00 -0.57 O ATOM 11 CB LYS A 1 -0.080 -3.389 -5.020 1.00 0.00 C ATOM 12 CG LYS A 1 0.750 -4.218 -6.036 1.00 0.00 C ATOM 13 CD LYS A 1 0.361 -3.808 -7.476 1.00 0.00 C ATOM 14 CE LYS A 1 -0.831 -4.608 -8.064 1.00 0.50 C ATOM 15 NZ LYS A 1 -1.817 -3.724 -8.725 1.00 -0.85 N ATOM 16 H LYS A 1 -1.423 -2.789 -2.820 1.00 0.37 H ATOM 17 HA LYS A 1 0.683 -4.768 -3.578 1.00 0.00 H ATOM 18 HB2 LYS A 1 -1.141 -3.633 -5.182 1.00 0.00 H ATOM 19 HB3 LYS A 1 0.041 -2.307 -5.185 1.00 0.00 H ATOM 20 HG2 LYS A 1 1.820 -4.019 -5.865 1.00 0.00 H ATOM 21 HG3 LYS A 1 0.579 -5.298 -5.902 1.00 0.00 H ATOM 22 HD2 LYS A 1 0.073 -2.752 -7.448 1.00 0.00 H ATOM 23 HD3 LYS A 1 1.239 -3.907 -8.132 1.00 0.00 H ATOM 24 HE2 LYS A 1 -0.437 -5.327 -8.796 1.00 0.00 H ATOM 25 HE3 LYS A 1 -1.354 -5.187 -7.287 1.00 0.00 H ATOM 26 HZ1 LYS A 1 -2.375 -4.266 -9.474 1.00 0.45 H ATOM 27 HZ2 LYS A 1 -1.372 -2.876 -9.229 1.00 0.45 H ATOM 28 HZ3 LYS A 1 -2.518 -3.347 -7.993 1.00 0.45 H ATOM 29 N PHE A 2 2.354 -3.349 -2.236 1.00 -0.73 N ATOM 30 CA PHE A 2 3.443 -2.520 -1.727 1.00 0.36 C ATOM 31 C PHE A 2 4.564 -2.479 -2.737 1.00 0.57 C ATOM 32 O PHE A 2 5.699 -2.732 -2.368 1.00 -0.57 O ATOM 33 CB PHE A 2 3.932 -3.085 -0.365 1.00 0.14 C ATOM 34 CG PHE A 2 2.922 -2.764 0.740 1.00 -0.14 C ATOM 35 CD1 PHE A 2 2.954 -1.503 1.344 1.00 -0.15 C ATOM 36 CD2 PHE A 2 1.981 -3.707 1.164 1.00 -0.15 C ATOM 37 CE1 PHE A 2 2.077 -1.196 2.386 1.00 -0.15 C ATOM 38 CE2 PHE A 2 1.106 -3.401 2.210 1.00 -0.15 C ATOM 39 CZ PHE A 2 1.155 -2.148 2.822 1.00 -0.15 C ATOM 40 H PHE A 2 2.369 -4.329 -2.043 1.00 0.37 H ATOM 41 HA PHE A 2 3.119 -1.482 -1.554 1.00 0.00 H ATOM 42 HB2 PHE A 2 4.103 -4.170 -0.434 1.00 0.00 H ATOM 43 HB3 PHE A 2 4.882 -2.618 -0.067 1.00 0.00 H ATOM 44 HD1 PHE A 2 3.662 -0.753 1.007 1.00 0.15 H ATOM 45 HD2 PHE A 2 1.926 -4.681 0.688 1.00 0.15 H ATOM 46 HE1 PHE A 2 2.116 -0.219 2.856 1.00 0.15 H ATOM 47 HE2 PHE A 2 0.387 -4.140 2.547 1.00 0.15 H ATOM 48 HZ PHE A 2 0.478 -1.912 3.637 1.00 0.15 H ATOM 49 N GLU A 3 4.292 -2.159 -4.023 1.00 -0.73 N ATOM 50 CA GLU A 3 5.373 -2.144 -4.998 1.00 0.36 C ATOM 51 C GLU A 3 4.948 -1.309 -6.184 1.00 0.57 C ATOM 52 O GLU A 3 4.864 -1.803 -7.299 1.00 -0.57 O ATOM 53 CB GLU A 3 5.747 -3.607 -5.365 1.00 0.00 C ATOM 54 CG GLU A 3 6.971 -3.663 -6.310 1.00 -0.11 C ATOM 55 CD GLU A 3 7.996 -4.704 -5.967 1.00 0.91 C ATOM 56 OE1 GLU A 3 8.715 -4.497 -4.953 1.00 -0.90 O ATOM 57 OE2 GLU A 3 8.108 -5.708 -6.720 1.00 -0.90 O ATOM 58 H GLU A 3 3.367 -1.941 -4.354 1.00 0.37 H ATOM 59 HA GLU A 3 6.244 -1.639 -4.547 1.00 0.00 H ATOM 60 HB2 GLU A 3 6.009 -4.151 -4.446 1.00 0.00 H ATOM 61 HB3 GLU A 3 4.884 -4.109 -5.829 1.00 0.00 H ATOM 62 HG2 GLU A 3 6.648 -3.779 -7.355 1.00 0.00 H ATOM 63 HG3 GLU A 3 7.525 -2.730 -6.184 1.00 0.00 H ATOM 64 N ASP A 4 4.658 -0.011 -5.944 1.00 -0.73 N ATOM 65 CA ASP A 4 4.135 0.833 -7.012 1.00 0.36 C ATOM 66 C ASP A 4 4.492 2.264 -6.738 1.00 0.57 C ATOM 67 O ASP A 4 5.070 2.533 -5.696 1.00 -0.57 O ATOM 68 CB ASP A 4 2.599 0.680 -7.130 1.00 -0.11 C ATOM 69 CG ASP A 4 2.180 -0.758 -7.059 1.00 0.91 C ATOM 70 OD1 ASP A 4 2.254 -1.361 -5.951 1.00 -0.90 O ATOM 71 OD2 ASP A 4 1.760 -1.291 -8.116 1.00 -0.90 O ATOM 72 H ASP A 4 4.715 0.383 -5.026 1.00 0.37 H ATOM 73 HA ASP A 4 4.614 0.605 -7.966 1.00 0.00 H ATOM 74 HB2 ASP A 4 2.116 1.223 -6.306 1.00 0.00 H ATOM 75 HB3 ASP A 4 2.233 1.093 -8.079 1.00 0.00 H ATOM 76 N TRP A 5 4.159 3.181 -7.667 1.00 -0.73 N ATOM 77 CA TRP A 5 4.435 4.589 -7.440 1.00 0.36 C ATOM 78 C TRP A 5 3.329 5.417 -8.027 1.00 0.57 C ATOM 79 O TRP A 5 2.600 4.894 -8.853 1.00 -0.57 O ATOM 80 CB TRP A 5 5.792 4.961 -8.071 1.00 0.18 C ATOM 81 CG TRP A 5 5.912 4.435 -9.471 1.00 -0.18 C ATOM 82 CD1 TRP A 5 6.462 3.269 -9.837 1.00 -0.30 C ATOM 83 CD2 TRP A 5 5.465 5.111 -10.730 1.00 0.00 C ATOM 84 NE1 TRP A 5 6.414 3.140 -11.139 1.00 0.03 N ATOM 85 CE2 TRP A 5 5.860 4.228 -11.712 1.00 -0.15 C ATOM 86 CE3 TRP A 5 4.829 6.322 -11.014 1.00 -0.15 C ATOM 87 CZ2 TRP A 5 5.688 4.504 -13.063 1.00 -0.15 C ATOM 88 CZ3 TRP A 5 4.656 6.604 -12.367 1.00 -0.15 C ATOM 89 CH2 TRP A 5 5.092 5.731 -13.366 1.00 -0.15 C ATOM 90 H TRP A 5 3.743 2.922 -8.542 1.00 0.37 H ATOM 91 HA TRP A 5 4.465 4.810 -6.362 1.00 0.00 H ATOM 92 HB2 TRP A 5 5.945 6.050 -8.079 1.00 0.00 H ATOM 93 HB3 TRP A 5 6.581 4.498 -7.461 1.00 0.00 H ATOM 94 HD1 TRP A 5 6.861 2.605 -9.080 1.00 0.15 H ATOM 95 HE1 TRP A 5 6.762 2.326 -11.670 1.00 0.27 H ATOM 96 HE3 TRP A 5 4.511 6.987 -10.226 1.00 0.15 H ATOM 97 HZ2 TRP A 5 6.000 3.816 -13.835 1.00 0.15 H ATOM 98 HZ3 TRP A 5 4.184 7.512 -12.695 1.00 0.15 H ATOM 99 HH2 TRP A 5 4.964 6.039 -14.383 1.00 0.15 H ATOM 100 N LEU A 6 3.212 6.689 -7.583 1.00 -0.73 N ATOM 101 CA LEU A 6 2.160 7.562 -8.074 1.00 0.36 C ATOM 102 C LEU A 6 2.748 8.549 -9.041 1.00 0.57 C ATOM 103 O LEU A 6 3.637 9.296 -8.667 1.00 -0.57 O ATOM 104 CB LEU A 6 1.477 8.368 -6.944 1.00 0.00 C ATOM 105 CG LEU A 6 0.431 7.519 -6.166 1.00 0.00 C ATOM 106 CD1 LEU A 6 1.027 6.969 -4.848 1.00 0.00 C ATOM 107 CD2 LEU A 6 -0.823 8.381 -5.880 1.00 0.00 C ATOM 108 H LEU A 6 3.863 7.077 -6.931 1.00 0.37 H ATOM 109 HA LEU A 6 1.382 6.992 -8.590 1.00 0.00 H ATOM 110 HB2 LEU A 6 2.233 8.786 -6.261 1.00 0.00 H ATOM 111 HB3 LEU A 6 0.970 9.216 -7.430 1.00 0.00 H ATOM 112 HG LEU A 6 0.088 6.655 -6.757 1.00 0.00 H ATOM 113 HD11 LEU A 6 1.961 6.423 -5.052 1.00 0.00 H ATOM 114 HD12 LEU A 6 0.312 6.279 -4.376 1.00 0.00 H ATOM 115 HD13 LEU A 6 1.234 7.795 -4.151 1.00 0.00 H ATOM 116 HD21 LEU A 6 -1.308 8.655 -6.829 1.00 0.00 H ATOM 117 HD22 LEU A 6 -0.540 9.300 -5.345 1.00 0.00 H ATOM 118 HD23 LEU A 6 -1.544 7.816 -5.272 1.00 0.00 H ATOM 119 N CYS A 7 2.278 8.544 -10.292 1.00 -0.73 N ATOM 120 CA CYS A 7 2.803 9.473 -11.282 1.00 0.36 C ATOM 121 C CYS A 7 2.748 10.951 -10.819 1.00 0.57 C ATOM 122 O CYS A 7 1.817 11.376 -10.137 1.00 -0.57 O ATOM 123 CB CYS A 7 2.017 9.307 -12.590 1.00 0.05 C ATOM 124 SG CYS A 7 2.805 10.326 -13.855 1.00 -1.05 S ATOM 125 H CYS A 7 1.560 7.876 -10.591 1.00 0.37 H ATOM 126 HA CYS A 7 3.857 9.222 -11.422 1.00 0.00 H ATOM 127 HB2 CYS A 7 2.036 8.273 -12.927 1.00 0.00 H ATOM 128 HB3 CYS A 7 0.989 9.641 -12.441 1.00 0.00 H ATOM 129 N ASN A 8 3.736 11.763 -11.237 1.00 -0.73 N ATOM 130 CA ASN A 8 3.771 13.168 -10.841 1.00 0.36 C ATOM 131 C ASN A 8 3.098 14.048 -11.876 1.00 0.57 C ATOM 132 O ASN A 8 3.457 15.207 -12.009 1.00 -0.57 O ATOM 133 CB ASN A 8 5.252 13.587 -10.605 1.00 0.06 C ATOM 134 CG ASN A 8 5.423 14.153 -9.223 1.00 0.57 C ATOM 135 OD1 ASN A 8 6.057 13.525 -8.391 1.00 -0.57 O ATOM 136 ND2 ASN A 8 4.861 15.344 -8.944 1.00 -0.80 N ATOM 137 H ASN A 8 4.430 11.445 -11.885 1.00 0.37 H ATOM 138 HA ASN A 8 3.217 13.302 -9.899 1.00 0.00 H ATOM 139 HB2 ASN A 8 5.926 12.720 -10.684 1.00 0.00 H ATOM 140 HB3 ASN A 8 5.596 14.324 -11.346 1.00 0.00 H ATOM 141 HD21 ASN A 8 4.344 15.844 -9.639 1.00 0.37 H ATOM 142 HD22 ASN A 8 4.971 15.724 -8.025 1.00 0.37 H ATOM 143 N LYS A 9 2.111 13.505 -12.617 1.00 -0.73 N ATOM 144 CA LYS A 9 1.447 14.251 -13.682 1.00 0.36 C ATOM 145 C LYS A 9 -0.035 13.960 -13.633 1.00 0.57 C ATOM 146 O LYS A 9 -0.819 14.883 -13.495 1.00 -0.57 O ATOM 147 CB LYS A 9 2.001 13.811 -15.064 1.00 0.00 C ATOM 148 CG LYS A 9 2.270 14.997 -16.021 1.00 0.00 C ATOM 149 CD LYS A 9 3.678 15.613 -15.820 1.00 0.00 C ATOM 150 CE LYS A 9 4.182 16.203 -17.160 1.00 0.50 C ATOM 151 NZ LYS A 9 5.308 17.132 -16.943 1.00 -0.85 N ATOM 152 H LYS A 9 1.850 12.563 -12.470 1.00 0.37 H ATOM 153 HA LYS A 9 1.581 15.332 -13.531 1.00 0.00 H ATOM 154 HB2 LYS A 9 2.908 13.203 -14.931 1.00 0.00 H ATOM 155 HB3 LYS A 9 1.261 13.179 -15.574 1.00 0.00 H ATOM 156 HG2 LYS A 9 2.195 14.607 -17.049 1.00 0.00 H ATOM 157 HG3 LYS A 9 1.497 15.774 -15.904 1.00 0.00 H ATOM 158 HD2 LYS A 9 3.627 16.386 -15.039 1.00 0.00 H ATOM 159 HD3 LYS A 9 4.418 14.857 -15.510 1.00 0.00 H ATOM 160 HE2 LYS A 9 4.507 15.373 -17.811 1.00 0.00 H ATOM 161 HE3 LYS A 9 3.368 16.746 -17.668 1.00 0.00 H ATOM 162 HZ1 LYS A 9 6.084 16.679 -16.342 1.00 0.45 H ATOM 163 HZ2 LYS A 9 4.962 18.028 -16.449 1.00 0.45 H ATOM 164 HZ3 LYS A 9 5.743 17.418 -17.890 1.00 0.45 H ATOM 165 N CYS A 10 -0.452 12.717 -13.776 1.00 -0.73 N ATOM 166 CA CYS A 10 -1.838 12.318 -13.665 1.00 0.36 C ATOM 167 C CYS A 10 -2.171 11.744 -12.272 1.00 0.57 C ATOM 168 O CYS A 10 -3.344 11.461 -12.023 1.00 -0.57 O ATOM 169 CB CYS A 10 -2.100 11.272 -14.748 1.00 0.05 C ATOM 170 SG CYS A 10 -0.909 9.885 -14.478 1.00 -1.05 S ATOM 171 H CYS A 10 0.203 11.960 -13.905 1.00 0.37 H ATOM 172 HA CYS A 10 -2.482 13.183 -13.834 1.00 0.00 H ATOM 173 HB2 CYS A 10 -3.156 10.987 -14.697 1.00 0.00 H ATOM 174 HB3 CYS A 10 -1.925 11.713 -15.730 1.00 0.00 H ATOM 175 N CYS A 11 -1.176 11.568 -11.354 1.00 -0.73 N ATOM 176 CA CYS A 11 -1.473 11.079 -10.010 1.00 0.36 C ATOM 177 C CYS A 11 -2.004 9.668 -10.016 1.00 0.57 C ATOM 178 O CYS A 11 -2.639 9.264 -9.055 1.00 -0.57 O ATOM 179 CB CYS A 11 -2.426 12.063 -9.289 1.00 0.23 C ATOM 180 SG CYS A 11 -2.161 12.028 -7.484 1.00 -0.41 S ATOM 181 H CYS A 11 -0.218 11.761 -11.543 1.00 0.37 H ATOM 182 HA CYS A 11 -0.535 11.047 -9.437 1.00 0.00 H ATOM 183 HB2 CYS A 11 -2.227 13.086 -9.645 1.00 0.00 H ATOM 184 HB3 CYS A 11 -3.475 11.811 -9.501 1.00 0.00 H ATOM 185 HG CYS A 11 -1.226 12.407 -7.470 1.00 0.18 H ATOM 186 N LEU A 12 -1.750 8.902 -11.097 1.00 -0.73 N ATOM 187 CA LEU A 12 -2.265 7.547 -11.190 1.00 0.36 C ATOM 188 C LEU A 12 -1.200 6.589 -10.729 1.00 0.57 C ATOM 189 O LEU A 12 -0.035 6.802 -11.026 1.00 -0.57 O ATOM 190 CB LEU A 12 -2.628 7.246 -12.661 1.00 0.00 C ATOM 191 CG LEU A 12 -3.372 5.892 -12.864 1.00 0.00 C ATOM 192 CD1 LEU A 12 -4.907 6.082 -13.021 1.00 0.00 C ATOM 193 CD2 LEU A 12 -2.780 5.033 -14.016 1.00 0.00 C ATOM 194 H LEU A 12 -1.190 9.228 -11.850 1.00 0.37 H ATOM 195 HA LEU A 12 -3.193 7.469 -10.604 1.00 0.00 H ATOM 196 HB2 LEU A 12 -3.282 8.080 -12.911 1.00 0.00 H ATOM 197 HB3 LEU A 12 -1.718 7.321 -13.273 1.00 0.00 H ATOM 198 HG LEU A 12 -3.231 5.286 -11.964 1.00 0.00 H ATOM 199 HD11 LEU A 12 -5.431 5.156 -12.744 1.00 0.00 H ATOM 200 HD12 LEU A 12 -5.178 6.319 -14.057 1.00 0.00 H ATOM 201 HD13 LEU A 12 -5.277 6.892 -12.375 1.00 0.00 H ATOM 202 HD21 LEU A 12 -1.714 5.238 -14.198 1.00 0.00 H ATOM 203 HD22 LEU A 12 -3.338 5.208 -14.939 1.00 0.00 H ATOM 204 HD23 LEU A 12 -2.880 3.964 -13.780 1.00 0.00 H ATOM 205 N ASN A 13 -1.621 5.538 -9.999 1.00 -0.73 N ATOM 206 CA ASN A 13 -0.676 4.546 -9.511 1.00 0.36 C ATOM 207 C ASN A 13 -0.106 3.740 -10.651 1.00 0.57 C ATOM 208 O ASN A 13 -0.772 3.614 -11.667 1.00 -0.57 O ATOM 209 CB ASN A 13 -1.329 3.571 -8.493 1.00 0.06 C ATOM 210 CG ASN A 13 -0.528 3.535 -7.218 1.00 0.57 C ATOM 211 OD1 ASN A 13 0.627 3.149 -7.266 1.00 -0.57 O ATOM 212 ND2 ASN A 13 -1.101 3.928 -6.062 1.00 -0.80 N ATOM 213 H ASN A 13 -2.587 5.433 -9.780 1.00 0.37 H ATOM 214 HA ASN A 13 0.127 5.095 -9.012 1.00 0.00 H ATOM 215 HB2 ASN A 13 -2.364 3.855 -8.254 1.00 0.00 H ATOM 216 HB3 ASN A 13 -1.372 2.556 -8.916 1.00 0.00 H ATOM 217 HD21 ASN A 13 -2.042 4.262 -6.014 1.00 0.37 H ATOM 218 HD22 ASN A 13 -0.561 3.879 -5.223 1.00 0.37 H ATOM 219 N ASN A 14 1.113 3.179 -10.490 1.00 -0.73 N ATOM 220 CA ASN A 14 1.697 2.381 -11.558 1.00 0.36 C ATOM 221 C ASN A 14 2.674 1.377 -10.998 1.00 0.57 C ATOM 222 O ASN A 14 3.441 1.728 -10.114 1.00 -0.57 O ATOM 223 CB ASN A 14 2.487 3.231 -12.579 1.00 0.06 C ATOM 224 CG ASN A 14 2.036 4.660 -12.472 1.00 0.57 C ATOM 225 OD1 ASN A 14 2.318 5.315 -11.484 1.00 -0.57 O ATOM 226 ND2 ASN A 14 1.305 5.191 -13.460 1.00 -0.80 N ATOM 227 H ASN A 14 1.662 3.357 -9.670 1.00 0.37 H ATOM 228 HA ASN A 14 0.875 1.873 -12.085 1.00 0.00 H ATOM 229 HB2 ASN A 14 3.552 3.198 -12.331 1.00 0.00 H ATOM 230 HB3 ASN A 14 2.368 2.809 -13.589 1.00 0.00 H ATOM 231 HD21 ASN A 14 1.070 4.680 -14.277 1.00 0.37 H ATOM 232 HD22 ASN A 14 0.973 6.121 -13.330 1.00 0.37 H ATOM 233 N PHE A 15 2.647 0.136 -11.524 1.00 -0.73 N ATOM 234 CA PHE A 15 3.511 -0.912 -10.993 1.00 0.36 C ATOM 235 C PHE A 15 4.949 -0.444 -10.939 1.00 0.57 C ATOM 236 O PHE A 15 5.417 0.171 -11.882 1.00 -0.57 O ATOM 237 CB PHE A 15 3.408 -2.243 -11.802 1.00 0.14 C ATOM 238 CG PHE A 15 3.154 -3.486 -10.929 1.00 -0.14 C ATOM 239 CD1 PHE A 15 4.057 -3.866 -9.932 1.00 -0.15 C ATOM 240 CD2 PHE A 15 2.015 -4.274 -11.127 1.00 -0.15 C ATOM 241 CE1 PHE A 15 3.824 -4.981 -9.128 1.00 -0.15 C ATOM 242 CE2 PHE A 15 1.820 -5.440 -10.383 1.00 -0.15 C ATOM 243 CZ PHE A 15 2.705 -5.781 -9.359 1.00 -0.15 C ATOM 244 H PHE A 15 1.992 -0.084 -12.242 1.00 0.37 H ATOM 245 HA PHE A 15 3.157 -1.114 -9.980 1.00 0.00 H ATOM 246 HB2 PHE A 15 2.589 -2.196 -12.533 1.00 0.00 H ATOM 247 HB3 PHE A 15 4.328 -2.402 -12.382 1.00 0.00 H ATOM 248 HD1 PHE A 15 4.961 -3.312 -9.763 1.00 0.15 H ATOM 249 HD2 PHE A 15 1.267 -3.999 -11.865 1.00 0.15 H ATOM 250 HE1 PHE A 15 4.517 -5.223 -8.328 1.00 0.15 H ATOM 251 HE2 PHE A 15 0.976 -6.084 -10.602 1.00 0.15 H ATOM 252 HZ PHE A 15 2.528 -6.656 -8.746 1.00 0.15 H ATOM 253 N ARG A 16 5.698 -0.742 -9.860 1.00 -0.73 N ATOM 254 CA ARG A 16 7.121 -0.406 -9.839 1.00 0.36 C ATOM 255 C ARG A 16 7.885 -0.975 -10.998 1.00 0.57 C ATOM 256 O ARG A 16 8.892 -0.416 -11.399 1.00 -0.57 O ATOM 257 CB ARG A 16 7.835 -0.898 -8.561 1.00 0.00 C ATOM 258 CG ARG A 16 8.092 0.238 -7.545 1.00 0.00 C ATOM 259 CD ARG A 16 8.946 -0.269 -6.348 1.00 0.33 C ATOM 260 NE ARG A 16 10.151 0.522 -6.106 1.00 -0.84 N ATOM 261 CZ ARG A 16 10.990 0.272 -5.129 1.00 1.20 C ATOM 262 NH1 ARG A 16 10.823 -0.698 -4.265 1.00 -0.97 N ATOM 263 NH2 ARG A 16 12.050 1.034 -5.018 1.00 -0.97 N ATOM 264 H ARG A 16 5.285 -1.204 -9.074 1.00 0.37 H ATOM 265 HA ARG A 16 7.243 0.664 -9.975 1.00 0.00 H ATOM 266 HB2 ARG A 16 7.217 -1.661 -8.100 1.00 0.00 H ATOM 267 HB3 ARG A 16 8.792 -1.374 -8.825 1.00 0.00 H ATOM 268 HG2 ARG A 16 8.607 1.038 -8.094 1.00 0.00 H ATOM 269 HG3 ARG A 16 7.132 0.638 -7.182 1.00 0.00 H ATOM 270 HD2 ARG A 16 8.302 -0.276 -5.454 1.00 0.00 H ATOM 271 HD3 ARG A 16 9.310 -1.288 -6.548 1.00 0.00 H ATOM 272 HE ARG A 16 10.351 1.298 -6.748 1.00 0.45 H ATOM 273 HH11 ARG A 16 10.017 -1.334 -4.309 1.00 0.45 H ATOM 274 HH12 ARG A 16 11.505 -0.856 -3.511 1.00 0.45 H ATOM 275 HH21 ARG A 16 12.231 1.803 -5.678 1.00 0.45 H ATOM 276 HH22 ARG A 16 12.737 0.879 -4.268 1.00 0.45 H ATOM 277 N LYS A 17 7.407 -2.104 -11.538 1.00 -0.73 N ATOM 278 CA LYS A 17 8.079 -2.686 -12.680 1.00 0.36 C ATOM 279 C LYS A 17 7.974 -1.769 -13.878 1.00 0.57 C ATOM 280 O LYS A 17 8.776 -1.883 -14.792 1.00 -0.57 O ATOM 281 CB LYS A 17 7.418 -4.051 -13.034 1.00 0.00 C ATOM 282 CG LYS A 17 8.470 -5.179 -13.177 1.00 0.00 C ATOM 283 CD LYS A 17 8.142 -6.044 -14.409 1.00 0.00 C ATOM 284 CE LYS A 17 9.193 -7.170 -14.598 1.00 0.50 C ATOM 285 NZ LYS A 17 8.628 -8.514 -14.362 1.00 -0.85 N ATOM 286 H LYS A 17 6.582 -2.517 -11.178 1.00 0.37 H ATOM 287 HA LYS A 17 9.139 -2.782 -12.401 1.00 0.00 H ATOM 288 HB2 LYS A 17 6.703 -4.413 -12.278 1.00 0.00 H ATOM 289 HB3 LYS A 17 6.835 -3.911 -13.957 1.00 0.00 H ATOM 290 HG2 LYS A 17 9.485 -4.784 -13.328 1.00 0.00 H ATOM 291 HG3 LYS A 17 8.469 -5.802 -12.266 1.00 0.00 H ATOM 292 HD2 LYS A 17 7.119 -6.437 -14.303 1.00 0.00 H ATOM 293 HD3 LYS A 17 8.170 -5.387 -15.295 1.00 0.00 H ATOM 294 HE2 LYS A 17 9.573 -7.114 -15.630 1.00 0.00 H ATOM 295 HE3 LYS A 17 10.055 -7.028 -13.924 1.00 0.00 H ATOM 296 HZ1 LYS A 17 9.259 -9.257 -14.830 1.00 0.45 H ATOM 297 HZ2 LYS A 17 7.643 -8.647 -14.785 1.00 0.45 H ATOM 298 HZ3 LYS A 17 8.581 -8.732 -13.304 1.00 0.45 H ATOM 299 N ARG A 18 6.972 -0.865 -13.897 1.00 -0.73 N ATOM 300 CA ARG A 18 6.772 -0.011 -15.054 1.00 0.36 C ATOM 301 C ARG A 18 7.887 1.017 -15.095 1.00 0.57 C ATOM 302 O ARG A 18 8.134 1.654 -14.084 1.00 -0.57 O ATOM 303 CB ARG A 18 5.365 0.681 -15.024 1.00 0.00 C ATOM 304 CG ARG A 18 4.499 0.430 -16.284 1.00 0.00 C ATOM 305 CD ARG A 18 5.089 1.118 -17.536 1.00 0.33 C ATOM 306 NE ARG A 18 4.674 0.488 -18.777 1.00 -0.84 N ATOM 307 CZ ARG A 18 5.339 0.614 -19.902 1.00 1.20 C ATOM 308 NH1 ARG A 18 6.404 1.366 -20.049 1.00 -0.97 N ATOM 309 NH2 ARG A 18 4.912 -0.054 -20.941 1.00 -0.97 N ATOM 310 H ARG A 18 6.359 -0.747 -13.122 1.00 0.37 H ATOM 311 HA ARG A 18 6.822 -0.678 -15.927 1.00 0.00 H ATOM 312 HB2 ARG A 18 4.732 0.302 -14.212 1.00 0.00 H ATOM 313 HB3 ARG A 18 5.476 1.758 -14.862 1.00 0.00 H ATOM 314 HG2 ARG A 18 4.440 -0.659 -16.434 1.00 0.00 H ATOM 315 HG3 ARG A 18 3.479 0.814 -16.119 1.00 0.00 H ATOM 316 HD2 ARG A 18 4.807 2.174 -17.592 1.00 0.00 H ATOM 317 HD3 ARG A 18 6.165 1.026 -17.424 1.00 0.00 H ATOM 318 HE ARG A 18 3.829 -0.102 -18.739 1.00 0.45 H ATOM 319 HH11 ARG A 18 6.777 1.947 -19.290 1.00 0.45 H ATOM 320 HH12 ARG A 18 6.901 1.406 -20.949 1.00 0.45 H ATOM 321 HH21 ARG A 18 4.103 -0.684 -20.872 1.00 0.45 H ATOM 322 HH22 ARG A 18 5.379 0.026 -21.855 1.00 0.45 H ATOM 323 N LEU A 19 8.551 1.212 -16.260 1.00 -0.73 N ATOM 324 CA LEU A 19 9.528 2.292 -16.416 1.00 0.36 C ATOM 325 C LEU A 19 8.866 3.599 -16.771 1.00 0.57 C ATOM 326 O LEU A 19 9.563 4.495 -17.212 1.00 -0.57 O ATOM 327 CB LEU A 19 10.515 1.923 -17.564 1.00 0.00 C ATOM 328 CG LEU A 19 11.601 0.934 -17.070 1.00 0.00 C ATOM 329 CD1 LEU A 19 12.110 0.076 -18.256 1.00 0.00 C ATOM 330 CD2 LEU A 19 12.784 1.721 -16.445 1.00 0.00 C ATOM 331 H LEU A 19 8.363 0.640 -17.052 1.00 0.37 H ATOM 332 HA LEU A 19 10.074 2.465 -15.478 1.00 0.00 H ATOM 333 HB2 LEU A 19 9.952 1.496 -18.409 1.00 0.00 H ATOM 334 HB3 LEU A 19 11.044 2.799 -17.964 1.00 0.00 H ATOM 335 HG LEU A 19 11.172 0.260 -16.311 1.00 0.00 H ATOM 336 HD11 LEU A 19 13.051 -0.427 -17.991 1.00 0.00 H ATOM 337 HD12 LEU A 19 12.281 0.707 -19.140 1.00 0.00 H ATOM 338 HD13 LEU A 19 11.359 -0.691 -18.505 1.00 0.00 H ATOM 339 HD21 LEU A 19 12.432 2.464 -15.715 1.00 0.00 H ATOM 340 HD22 LEU A 19 13.346 2.245 -17.232 1.00 0.00 H ATOM 341 HD23 LEU A 19 13.464 1.026 -15.929 1.00 0.00 H ATOM 342 N LYS A 20 7.538 3.762 -16.610 1.00 -0.73 N ATOM 343 CA LYS A 20 6.935 5.036 -16.945 1.00 0.36 C ATOM 344 C LYS A 20 5.472 4.993 -16.631 1.00 0.57 C ATOM 345 O LYS A 20 5.002 3.978 -16.148 1.00 -0.57 O ATOM 346 CB LYS A 20 7.114 5.374 -18.448 1.00 0.00 C ATOM 347 CG LYS A 20 7.934 6.671 -18.638 1.00 0.00 C ATOM 348 CD LYS A 20 8.331 6.875 -20.120 1.00 0.00 C ATOM 349 CE LYS A 20 9.844 6.602 -20.335 1.00 0.50 C ATOM 350 NZ LYS A 20 10.145 6.125 -21.704 1.00 -0.85 N ATOM 351 H LYS A 20 6.938 3.074 -16.222 1.00 0.37 H ATOM 352 HA LYS A 20 7.371 5.768 -16.261 1.00 0.00 H ATOM 353 HB2 LYS A 20 7.618 4.532 -18.943 1.00 0.00 H ATOM 354 HB3 LYS A 20 6.138 5.507 -18.943 1.00 0.00 H ATOM 355 HG2 LYS A 20 7.341 7.521 -18.299 1.00 0.00 H ATOM 356 HG3 LYS A 20 8.823 6.630 -18.007 1.00 0.00 H ATOM 357 HD2 LYS A 20 7.699 6.208 -20.724 1.00 0.00 H ATOM 358 HD3 LYS A 20 8.131 7.909 -20.442 1.00 0.00 H ATOM 359 HE2 LYS A 20 10.386 7.541 -20.125 1.00 0.00 H ATOM 360 HE3 LYS A 20 10.211 5.844 -19.625 1.00 0.00 H ATOM 361 HZ1 LYS A 20 10.758 6.833 -22.241 1.00 0.45 H ATOM 362 HZ2 LYS A 20 9.282 5.938 -22.327 1.00 0.45 H ATOM 363 HZ3 LYS A 20 10.688 5.191 -21.661 1.00 0.45 H ATOM 364 N CYS A 21 4.746 6.087 -16.847 1.00 -0.73 N ATOM 365 CA CYS A 21 3.328 6.104 -16.559 1.00 0.36 C ATOM 366 C CYS A 21 2.512 5.510 -17.733 1.00 0.57 C ATOM 367 O CYS A 21 2.722 5.863 -18.886 1.00 -0.57 O ATOM 368 CB CYS A 21 2.899 7.531 -16.214 1.00 0.05 C ATOM 369 SG CYS A 21 1.203 7.366 -15.604 1.00 -1.05 S ATOM 370 H CYS A 21 5.159 6.959 -17.189 1.00 0.37 H ATOM 371 HA CYS A 21 3.167 5.478 -15.680 1.00 0.00 H ATOM 372 HB2 CYS A 21 3.540 7.927 -15.422 1.00 0.00 H ATOM 373 HB3 CYS A 21 2.950 8.178 -17.092 1.00 0.00 H ATOM 374 N PHE A 22 1.559 4.598 -17.452 1.00 -0.73 N ATOM 375 CA PHE A 22 0.728 4.022 -18.504 1.00 0.36 C ATOM 376 C PHE A 22 -0.529 4.825 -18.767 1.00 0.57 C ATOM 377 O PHE A 22 -1.432 4.327 -19.418 1.00 -0.57 O ATOM 378 CB PHE A 22 0.358 2.584 -18.041 1.00 0.14 C ATOM 379 CG PHE A 22 0.333 1.598 -19.207 1.00 -0.14 C ATOM 380 CD1 PHE A 22 1.482 1.427 -19.985 1.00 -0.15 C ATOM 381 CD2 PHE A 22 -0.817 0.860 -19.495 1.00 -0.15 C ATOM 382 CE1 PHE A 22 1.451 0.584 -21.097 1.00 -0.15 C ATOM 383 CE2 PHE A 22 -0.814 -0.055 -20.549 1.00 -0.15 C ATOM 384 CZ PHE A 22 0.323 -0.199 -21.345 1.00 -0.15 C ATOM 385 H PHE A 22 1.344 4.347 -16.515 1.00 0.37 H ATOM 386 HA PHE A 22 1.288 4.000 -19.448 1.00 0.00 H ATOM 387 HB2 PHE A 22 1.121 2.180 -17.357 1.00 0.00 H ATOM 388 HB3 PHE A 22 -0.600 2.610 -17.496 1.00 0.00 H ATOM 389 HD1 PHE A 22 2.402 1.946 -19.735 1.00 0.15 H ATOM 390 HD2 PHE A 22 -1.717 0.986 -18.901 1.00 0.15 H ATOM 391 HE1 PHE A 22 2.299 0.542 -21.768 1.00 0.15 H ATOM 392 HE2 PHE A 22 -1.697 -0.650 -20.752 1.00 0.15 H ATOM 393 HZ PHE A 22 0.332 -0.916 -22.159 1.00 0.15 H ATOM 394 N ARG A 23 -0.582 6.073 -18.259 1.00 -0.73 N ATOM 395 CA ARG A 23 -1.719 6.962 -18.440 1.00 0.36 C ATOM 396 C ARG A 23 -1.270 8.205 -19.163 1.00 0.57 C ATOM 397 O ARG A 23 -1.853 8.512 -20.191 1.00 -0.57 O ATOM 398 CB ARG A 23 -2.295 7.312 -17.048 1.00 0.00 C ATOM 399 CG ARG A 23 -3.387 8.413 -17.146 1.00 0.00 C ATOM 400 CD ARG A 23 -4.743 8.051 -16.474 1.00 0.33 C ATOM 401 NE ARG A 23 -4.884 8.646 -15.149 1.00 -0.84 N ATOM 402 CZ ARG A 23 -6.024 8.805 -14.516 1.00 1.20 C ATOM 403 NH1 ARG A 23 -7.165 8.370 -14.990 1.00 -0.97 N ATOM 404 NH2 ARG A 23 -6.030 9.419 -13.359 1.00 -0.97 N ATOM 405 H ARG A 23 0.171 6.427 -17.735 1.00 0.37 H ATOM 406 HA ARG A 23 -2.517 6.484 -19.029 1.00 0.00 H ATOM 407 HB2 ARG A 23 -2.694 6.355 -16.707 1.00 0.00 H ATOM 408 HB3 ARG A 23 -1.513 7.619 -16.338 1.00 0.00 H ATOM 409 HG2 ARG A 23 -2.983 9.363 -16.763 1.00 0.00 H ATOM 410 HG3 ARG A 23 -3.616 8.586 -18.206 1.00 0.00 H ATOM 411 HD2 ARG A 23 -5.506 8.486 -17.135 1.00 0.00 H ATOM 412 HD3 ARG A 23 -4.896 6.964 -16.424 1.00 0.00 H ATOM 413 HE ARG A 23 -4.027 8.994 -14.723 1.00 0.45 H ATOM 414 HH11 ARG A 23 -7.219 7.847 -15.871 1.00 0.45 H ATOM 415 HH12 ARG A 23 -8.045 8.526 -14.480 1.00 0.45 H ATOM 416 HH21 ARG A 23 -5.161 9.783 -12.938 1.00 0.45 H ATOM 417 HH22 ARG A 23 -6.905 9.558 -12.834 1.00 0.45 H ATOM 418 N CYS A 24 -0.305 8.955 -18.653 1.00 -0.73 N ATOM 419 CA CYS A 24 0.236 10.107 -19.356 1.00 0.36 C ATOM 420 C CYS A 24 1.563 9.780 -20.087 1.00 0.57 C ATOM 421 O CYS A 24 2.007 10.604 -20.885 1.00 -0.57 O ATOM 422 CB CYS A 24 0.397 11.236 -18.329 1.00 0.05 C ATOM 423 SG CYS A 24 1.659 10.734 -17.095 1.00 -1.05 S ATOM 424 H CYS A 24 0.164 8.692 -17.801 1.00 0.37 H ATOM 425 HA CYS A 24 -0.482 10.431 -20.115 1.00 0.00 H ATOM 426 HB2 CYS A 24 0.636 12.172 -18.845 1.00 0.00 H ATOM 427 HB3 CYS A 24 -0.549 11.379 -17.804 1.00 0.00 H ATOM 428 N GLY A 25 2.227 8.619 -19.844 1.00 -0.73 N ATOM 429 CA GLY A 25 3.510 8.369 -20.494 1.00 0.36 C ATOM 430 C GLY A 25 4.678 8.896 -19.694 1.00 0.57 C ATOM 431 O GLY A 25 5.754 8.343 -19.831 1.00 -0.57 O ATOM 432 H GLY A 25 1.908 7.912 -19.216 1.00 0.37 H ATOM 433 HA2 GLY A 25 3.655 7.288 -20.631 1.00 0.00 H ATOM 434 HA3 GLY A 25 3.544 8.820 -21.497 1.00 0.00 H ATOM 435 N ALA A 26 4.507 9.966 -18.894 1.00 -0.73 N ATOM 436 CA ALA A 26 5.621 10.578 -18.177 1.00 0.36 C ATOM 437 C ALA A 26 6.261 9.623 -17.203 1.00 0.57 C ATOM 438 O ALA A 26 5.582 8.723 -16.733 1.00 -0.57 O ATOM 439 CB ALA A 26 5.185 11.835 -17.377 1.00 0.00 C ATOM 440 H ALA A 26 3.623 10.405 -18.843 1.00 0.37 H ATOM 441 HA ALA A 26 6.358 10.881 -18.937 1.00 0.00 H ATOM 442 HB1 ALA A 26 6.033 12.528 -17.284 1.00 0.00 H ATOM 443 HB2 ALA A 26 4.363 12.371 -17.874 1.00 0.00 H ATOM 444 HB3 ALA A 26 4.852 11.548 -16.366 1.00 0.00 H ATOM 445 N ASP A 27 7.566 9.804 -16.900 1.00 -0.73 N ATOM 446 CA ASP A 27 8.234 8.889 -15.987 1.00 0.36 C ATOM 447 C ASP A 27 8.146 9.375 -14.566 1.00 0.57 C ATOM 448 O ASP A 27 8.061 10.570 -14.330 1.00 -0.57 O ATOM 449 CB ASP A 27 9.712 8.646 -16.392 1.00 -0.11 C ATOM 450 CG ASP A 27 10.234 7.311 -15.923 1.00 0.91 C ATOM 451 OD1 ASP A 27 9.650 6.732 -14.964 1.00 -0.90 O ATOM 452 OD2 ASP A 27 11.236 6.836 -16.524 1.00 -0.90 O ATOM 453 H ASP A 27 8.099 10.559 -17.282 1.00 0.37 H ATOM 454 HA ASP A 27 7.707 7.937 -16.026 1.00 0.00 H ATOM 455 HB2 ASP A 27 9.796 8.686 -17.487 1.00 0.00 H ATOM 456 HB3 ASP A 27 10.348 9.443 -15.984 1.00 0.00 H ATOM 457 N LYS A 28 8.193 8.435 -13.603 1.00 -0.73 N ATOM 458 CA LYS A 28 8.218 8.832 -12.204 1.00 0.36 C ATOM 459 C LYS A 28 9.422 9.687 -11.888 1.00 0.57 C ATOM 460 O LYS A 28 9.392 10.389 -10.890 1.00 -0.57 O ATOM 461 CB LYS A 28 8.249 7.590 -11.282 1.00 0.00 C ATOM 462 CG LYS A 28 9.377 6.577 -11.644 1.00 0.00 C ATOM 463 CD LYS A 28 10.198 6.164 -10.403 1.00 0.00 C ATOM 464 CE LYS A 28 9.336 5.316 -9.429 1.00 0.50 C ATOM 465 NZ LYS A 28 9.746 5.472 -8.014 1.00 -0.85 N ATOM 466 H LYS A 28 8.277 7.464 -13.846 1.00 0.37 H ATOM 467 HA LYS A 28 7.310 9.414 -11.981 1.00 0.00 H ATOM 468 HB2 LYS A 28 8.336 7.954 -10.247 1.00 0.00 H ATOM 469 HB3 LYS A 28 7.281 7.082 -11.378 1.00 0.00 H ATOM 470 HG2 LYS A 28 8.944 5.680 -12.119 1.00 0.00 H ATOM 471 HG3 LYS A 28 10.099 7.021 -12.341 1.00 0.00 H ATOM 472 HD2 LYS A 28 11.078 5.577 -10.713 1.00 0.00 H ATOM 473 HD3 LYS A 28 10.559 7.100 -9.951 1.00 0.00 H ATOM 474 HE2 LYS A 28 8.286 5.621 -9.518 1.00 0.00 H ATOM 475 HE3 LYS A 28 9.393 4.258 -9.734 1.00 0.00 H ATOM 476 HZ1 LYS A 28 10.322 6.361 -7.808 1.00 0.45 H ATOM 477 HZ2 LYS A 28 10.325 4.628 -7.677 1.00 0.45 H ATOM 478 HZ3 LYS A 28 8.877 5.555 -7.376 1.00 0.45 H ATOM 479 N PHE A 29 10.481 9.648 -12.726 1.00 -0.73 N ATOM 480 CA PHE A 29 11.652 10.485 -12.504 1.00 0.36 C ATOM 481 C PHE A 29 11.536 11.757 -13.317 1.00 0.57 C ATOM 482 O PHE A 29 12.568 12.345 -13.596 1.00 -0.57 O ATOM 483 CB PHE A 29 12.928 9.668 -12.876 1.00 0.14 C ATOM 484 CG PHE A 29 13.853 9.502 -11.667 1.00 -0.14 C ATOM 485 CD1 PHE A 29 14.540 10.612 -11.166 1.00 -0.15 C ATOM 486 CD2 PHE A 29 14.022 8.251 -11.066 1.00 -0.15 C ATOM 487 CE1 PHE A 29 15.408 10.467 -10.082 1.00 -0.15 C ATOM 488 CE2 PHE A 29 14.898 8.106 -9.988 1.00 -0.15 C ATOM 489 CZ PHE A 29 15.591 9.213 -9.496 1.00 -0.15 C ATOM 490 H PHE A 29 10.471 9.091 -13.550 1.00 0.37 H ATOM 491 HA PHE A 29 11.727 10.786 -11.448 1.00 0.00 H ATOM 492 HB2 PHE A 29 12.665 8.664 -13.236 1.00 0.00 H ATOM 493 HB3 PHE A 29 13.508 10.140 -13.683 1.00 0.00 H ATOM 494 HD1 PHE A 29 14.401 11.588 -11.619 1.00 0.15 H ATOM 495 HD2 PHE A 29 13.481 7.383 -11.428 1.00 0.15 H ATOM 496 HE1 PHE A 29 15.941 11.330 -9.696 1.00 0.15 H ATOM 497 HE2 PHE A 29 15.039 7.131 -9.535 1.00 0.15 H ATOM 498 HZ PHE A 29 16.271 9.099 -8.659 1.00 0.15 H ATOM 499 N ASP A 30 10.313 12.201 -13.706 1.00 -0.73 N ATOM 500 CA ASP A 30 10.183 13.394 -14.541 1.00 0.36 C ATOM 501 C ASP A 30 9.408 14.452 -13.788 1.00 0.57 C ATOM 502 O ASP A 30 10.014 15.406 -13.327 1.00 -0.57 O ATOM 503 CB ASP A 30 9.565 13.004 -15.910 1.00 -0.11 C ATOM 504 CG ASP A 30 9.911 13.968 -17.011 1.00 0.91 C ATOM 505 OD1 ASP A 30 10.391 15.096 -16.721 1.00 -0.90 O ATOM 506 OD2 ASP A 30 9.697 13.591 -18.195 1.00 -0.90 O ATOM 507 H ASP A 30 9.463 11.736 -13.465 1.00 0.37 H ATOM 508 HA ASP A 30 11.176 13.816 -14.756 1.00 0.00 H ATOM 509 HB2 ASP A 30 9.964 12.018 -16.188 1.00 0.00 H ATOM 510 HB3 ASP A 30 8.470 12.921 -15.879 1.00 0.00 H HETATM 511 N NH2 A 31 8.073 14.346 -13.606 1.00 -0.80 N HETATM 512 HN1 NH2 A 31 7.542 13.561 -13.918 1.00 0.37 H HETATM 513 HN2 NH2 A 31 7.606 15.085 -13.121 1.00 0.37 H TER 514 NH2 A 31 HETATM 515 ZN ZN A 32 1.165 9.680 -15.337 1.00 2.00 ZN