HETATM 1 C ACE A 3 0.995 10.938 -9.106 1.00 0.00 C HETATM 2 O ACE A 3 0.662 10.331 -10.122 1.00 0.00 O HETATM 3 CH3 ACE A 3 1.682 12.293 -9.214 1.00 0.00 C HETATM 4 H1 ACE A 3 1.877 12.528 -10.260 1.00 0.00 H HETATM 5 H2 ACE A 3 1.038 13.063 -8.788 1.00 0.00 H HETATM 6 H3 ACE A 3 2.627 12.270 -8.670 1.00 0.00 H ATOM 7 N ARG A 4 0.791 10.477 -7.865 1.00 0.00 N ATOM 8 CA ARG A 4 0.142 9.215 -7.525 1.00 0.00 C ATOM 9 C ARG A 4 0.823 8.040 -8.245 1.00 0.00 C ATOM 10 O ARG A 4 0.207 7.406 -9.101 1.00 0.00 O ATOM 11 CB ARG A 4 -1.372 9.292 -7.809 1.00 0.00 C ATOM 12 CG ARG A 4 -2.196 10.029 -6.739 1.00 0.00 C ATOM 13 CD ARG A 4 -1.813 11.498 -6.522 1.00 0.00 C ATOM 14 NE ARG A 4 -0.673 11.632 -5.604 1.00 0.00 N ATOM 15 CZ ARG A 4 0.072 12.738 -5.450 1.00 0.00 C ATOM 16 NH1 ARG A 4 -0.216 13.864 -6.119 1.00 0.00 N ATOM 17 NH2 ARG A 4 1.122 12.712 -4.618 1.00 0.00 N ATOM 18 H ARG A 4 1.105 11.049 -7.095 1.00 0.00 H ATOM 19 HA ARG A 4 0.254 9.046 -6.454 1.00 0.00 H ATOM 20 HB2 ARG A 4 -1.551 9.749 -8.783 1.00 0.00 H ATOM 21 HB3 ARG A 4 -1.777 8.280 -7.842 1.00 0.00 H ATOM 22 HG2 ARG A 4 -3.235 10.004 -7.070 1.00 0.00 H ATOM 23 HG3 ARG A 4 -2.135 9.490 -5.793 1.00 0.00 H ATOM 24 HD2 ARG A 4 -1.601 11.959 -7.488 1.00 0.00 H ATOM 25 HD3 ARG A 4 -2.663 12.011 -6.070 1.00 0.00 H ATOM 26 HE ARG A 4 -0.431 10.813 -5.065 1.00 0.00 H ATOM 27 HH11 ARG A 4 -1.009 13.893 -6.742 1.00 0.00 H ATOM 28 HH12 ARG A 4 0.352 14.689 -5.993 1.00 0.00 H ATOM 29 HH21 ARG A 4 1.345 11.868 -4.110 1.00 0.00 H ATOM 30 HH22 ARG A 4 1.690 13.537 -4.493 1.00 0.00 H ATOM 31 N PRO A 5 2.085 7.722 -7.901 1.00 0.00 N ATOM 32 CA PRO A 5 2.833 6.626 -8.499 1.00 0.00 C ATOM 33 C PRO A 5 2.425 5.294 -7.854 1.00 0.00 C ATOM 34 O PRO A 5 3.241 4.622 -7.228 1.00 0.00 O ATOM 35 CB PRO A 5 4.301 6.988 -8.243 1.00 0.00 C ATOM 36 CG PRO A 5 4.236 7.666 -6.875 1.00 0.00 C ATOM 37 CD PRO A 5 2.923 8.445 -6.954 1.00 0.00 C ATOM 38 HA PRO A 5 2.662 6.570 -9.576 1.00 0.00 H ATOM 39 HB2 PRO A 5 4.980 6.136 -8.263 1.00 0.00 H ATOM 40 HB3 PRO A 5 4.619 7.723 -8.984 1.00 0.00 H ATOM 41 HG2 PRO A 5 4.169 6.910 -6.092 1.00 0.00 H ATOM 42 HG3 PRO A 5 5.092 8.317 -6.695 1.00 0.00 H ATOM 43 HD2 PRO A 5 2.465 8.510 -5.967 1.00 0.00 H ATOM 44 HD3 PRO A 5 3.135 9.443 -7.338 1.00 0.00 H ATOM 45 N LEU A 6 1.147 4.925 -7.996 1.00 0.00 N ATOM 46 CA LEU A 6 0.591 3.665 -7.517 1.00 0.00 C ATOM 47 C LEU A 6 0.684 2.584 -8.595 1.00 0.00 C ATOM 48 O LEU A 6 0.849 1.414 -8.261 1.00 0.00 O ATOM 49 CB LEU A 6 -0.873 3.855 -7.084 1.00 0.00 C ATOM 50 CG LEU A 6 -1.087 4.508 -5.705 1.00 0.00 C ATOM 51 CD1 LEU A 6 -0.562 3.635 -4.558 1.00 0.00 C ATOM 52 CD2 LEU A 6 -0.500 5.920 -5.603 1.00 0.00 C ATOM 53 H LEU A 6 0.526 5.545 -8.501 1.00 0.00 H ATOM 54 HA LEU A 6 1.164 3.307 -6.662 1.00 0.00 H ATOM 55 HB2 LEU A 6 -1.395 4.441 -7.843 1.00 0.00 H ATOM 56 HB3 LEU A 6 -1.347 2.873 -7.045 1.00 0.00 H ATOM 57 HG LEU A 6 -2.167 4.597 -5.572 1.00 0.00 H ATOM 58 HD11 LEU A 6 -0.943 2.619 -4.659 1.00 0.00 H ATOM 59 HD12 LEU A 6 0.527 3.613 -4.550 1.00 0.00 H ATOM 60 HD13 LEU A 6 -0.905 4.045 -3.607 1.00 0.00 H ATOM 61 HD21 LEU A 6 -0.853 6.521 -6.439 1.00 0.00 H ATOM 62 HD22 LEU A 6 -0.829 6.383 -4.672 1.00 0.00 H ATOM 63 HD23 LEU A 6 0.589 5.887 -5.607 1.00 0.00 H ATOM 64 N GLN A 7 0.536 2.964 -9.872 1.00 0.00 N ATOM 65 CA GLN A 7 0.383 2.052 -11.001 1.00 0.00 C ATOM 66 C GLN A 7 1.456 0.963 -11.044 1.00 0.00 C ATOM 67 O GLN A 7 1.114 -0.217 -11.032 1.00 0.00 O ATOM 68 CB GLN A 7 0.348 2.851 -12.312 1.00 0.00 C ATOM 69 CG GLN A 7 -0.925 3.699 -12.466 1.00 0.00 C ATOM 70 CD GLN A 7 -2.073 2.923 -13.115 1.00 0.00 C ATOM 71 OE1 GLN A 7 -2.393 3.165 -14.277 1.00 0.00 O ATOM 72 NE2 GLN A 7 -2.688 1.997 -12.370 1.00 0.00 N ATOM 73 H GLN A 7 0.423 3.949 -10.064 1.00 0.00 H ATOM 74 HA GLN A 7 -0.566 1.537 -10.873 1.00 0.00 H ATOM 75 HB2 GLN A 7 1.216 3.512 -12.334 1.00 0.00 H ATOM 76 HB3 GLN A 7 0.423 2.170 -13.162 1.00 0.00 H ATOM 77 HG2 GLN A 7 -1.247 4.103 -11.506 1.00 0.00 H ATOM 78 HG3 GLN A 7 -0.687 4.541 -13.119 1.00 0.00 H ATOM 79 HE21 GLN A 7 -2.378 1.847 -11.422 1.00 0.00 H ATOM 80 N TRP A 8 2.737 1.348 -11.089 1.00 0.00 N ATOM 81 CA TRP A 8 3.858 0.412 -11.136 1.00 0.00 C ATOM 82 C TRP A 8 3.821 -0.577 -9.964 1.00 0.00 C ATOM 83 O TRP A 8 4.149 -1.751 -10.127 1.00 0.00 O ATOM 84 CB TRP A 8 5.181 1.193 -11.139 1.00 0.00 C ATOM 85 CG TRP A 8 5.537 1.841 -9.834 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.111 3.052 -9.415 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.273 1.269 -8.709 1.00 0.00 C ATOM 88 NE1 TRP A 8 5.518 3.267 -8.115 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.228 2.191 -7.624 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.928 0.041 -8.477 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.804 1.912 -6.376 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.510 -0.251 -7.229 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.457 0.685 -6.182 1.00 0.00 C ATOM 94 H TRP A 8 2.946 2.335 -11.096 1.00 0.00 H ATOM 95 HA TRP A 8 3.793 -0.147 -12.071 1.00 0.00 H ATOM 96 HB2 TRP A 8 5.982 0.497 -11.391 1.00 0.00 H ATOM 97 HB3 TRP A 8 5.147 1.956 -11.918 1.00 0.00 H ATOM 98 HD1 TRP A 8 4.494 3.727 -9.989 1.00 0.00 H ATOM 99 HE1 TRP A 8 5.274 4.073 -7.556 1.00 0.00 H ATOM 100 HE3 TRP A 8 6.968 -0.690 -9.269 1.00 0.00 H ATOM 101 HZ2 TRP A 8 6.733 2.624 -5.568 1.00 0.00 H ATOM 102 HZ3 TRP A 8 7.994 -1.203 -7.070 1.00 0.00 H ATOM 103 HH2 TRP A 8 7.908 0.456 -5.228 1.00 0.00 H ATOM 104 N LEU A 9 3.436 -0.083 -8.781 1.00 0.00 N ATOM 105 CA LEU A 9 3.424 -0.831 -7.537 1.00 0.00 C ATOM 106 C LEU A 9 2.318 -1.885 -7.615 1.00 0.00 C ATOM 107 O LEU A 9 2.580 -3.075 -7.457 1.00 0.00 O ATOM 108 CB LEU A 9 3.244 0.163 -6.373 1.00 0.00 C ATOM 109 CG LEU A 9 3.957 -0.257 -5.079 1.00 0.00 C ATOM 110 CD1 LEU A 9 3.919 0.905 -4.079 1.00 0.00 C ATOM 111 CD2 LEU A 9 3.312 -1.486 -4.440 1.00 0.00 C ATOM 112 H LEU A 9 3.149 0.884 -8.738 1.00 0.00 H ATOM 113 HA LEU A 9 4.390 -1.326 -7.431 1.00 0.00 H ATOM 114 HB2 LEU A 9 3.681 1.117 -6.670 1.00 0.00 H ATOM 115 HB3 LEU A 9 2.186 0.332 -6.172 1.00 0.00 H ATOM 116 HG LEU A 9 5.001 -0.483 -5.299 1.00 0.00 H ATOM 117 HD11 LEU A 9 4.405 1.782 -4.507 1.00 0.00 H ATOM 118 HD12 LEU A 9 2.886 1.155 -3.835 1.00 0.00 H ATOM 119 HD13 LEU A 9 4.445 0.625 -3.166 1.00 0.00 H ATOM 120 HD21 LEU A 9 2.256 -1.294 -4.255 1.00 0.00 H ATOM 121 HD22 LEU A 9 3.418 -2.342 -5.100 1.00 0.00 H ATOM 122 HD23 LEU A 9 3.810 -1.712 -3.496 1.00 0.00 H ATOM 123 N ALA A 10 1.091 -1.444 -7.915 1.00 0.00 N ATOM 124 CA ALA A 10 -0.077 -2.295 -8.078 1.00 0.00 C ATOM 125 C ALA A 10 0.159 -3.378 -9.129 1.00 0.00 C ATOM 126 O ALA A 10 -0.161 -4.536 -8.885 1.00 0.00 O ATOM 127 CB ALA A 10 -1.288 -1.435 -8.449 1.00 0.00 C ATOM 128 H ALA A 10 0.964 -0.452 -8.060 1.00 0.00 H ATOM 129 HA ALA A 10 -0.276 -2.781 -7.123 1.00 0.00 H ATOM 130 HB1 ALA A 10 -1.446 -0.669 -7.689 1.00 0.00 H ATOM 131 HB2 ALA A 10 -1.124 -0.949 -9.412 1.00 0.00 H ATOM 132 HB3 ALA A 10 -2.176 -2.064 -8.512 1.00 0.00 H ATOM 133 N GLU A 11 0.728 -3.001 -10.282 1.00 0.00 N ATOM 134 CA GLU A 11 1.009 -3.890 -11.404 1.00 0.00 C ATOM 135 C GLU A 11 1.673 -5.188 -10.934 1.00 0.00 C ATOM 136 O GLU A 11 1.245 -6.276 -11.313 1.00 0.00 O ATOM 137 CB GLU A 11 1.875 -3.138 -12.430 1.00 0.00 C ATOM 138 CG GLU A 11 1.912 -3.792 -13.817 1.00 0.00 C ATOM 139 CD GLU A 11 2.696 -5.103 -13.848 1.00 0.00 C ATOM 140 OE1 GLU A 11 3.873 -5.074 -13.430 1.00 0.00 O ATOM 141 OE2 GLU A 11 2.105 -6.110 -14.295 1.00 0.00 O ATOM 142 H GLU A 11 0.969 -2.026 -10.398 1.00 0.00 H ATOM 143 HA GLU A 11 0.056 -4.134 -11.871 1.00 0.00 H ATOM 144 HB2 GLU A 11 1.452 -2.144 -12.573 1.00 0.00 H ATOM 145 HB3 GLU A 11 2.890 -3.018 -12.051 1.00 0.00 H ATOM 146 HG2 GLU A 11 0.893 -3.962 -14.163 1.00 0.00 H ATOM 147 HG3 GLU A 11 2.390 -3.096 -14.507 1.00 0.00 H ATOM 148 N LYS A 12 2.708 -5.066 -10.096 1.00 0.00 N ATOM 149 CA LYS A 12 3.473 -6.194 -9.592 1.00 0.00 C ATOM 150 C LYS A 12 2.818 -6.827 -8.360 1.00 0.00 C ATOM 151 O LYS A 12 2.639 -8.042 -8.317 1.00 0.00 O ATOM 152 CB LYS A 12 4.892 -5.727 -9.253 1.00 0.00 C ATOM 153 CG LYS A 12 5.708 -5.403 -10.509 1.00 0.00 C ATOM 154 CD LYS A 12 7.136 -4.983 -10.139 1.00 0.00 C ATOM 155 CE LYS A 12 7.198 -3.549 -9.603 1.00 0.00 C ATOM 156 NZ LYS A 12 8.585 -3.155 -9.304 1.00 0.00 N ATOM 157 H LYS A 12 2.986 -4.140 -9.801 1.00 0.00 H ATOM 158 HA LYS A 12 3.548 -6.961 -10.365 1.00 0.00 H ATOM 159 HB2 LYS A 12 4.831 -4.840 -8.626 1.00 0.00 H ATOM 160 HB3 LYS A 12 5.401 -6.519 -8.701 1.00 0.00 H ATOM 161 HG2 LYS A 12 5.761 -6.300 -11.127 1.00 0.00 H ATOM 162 HG3 LYS A 12 5.229 -4.610 -11.084 1.00 0.00 H ATOM 163 HD2 LYS A 12 7.533 -5.669 -9.389 1.00 0.00 H ATOM 164 HD3 LYS A 12 7.756 -5.044 -11.034 1.00 0.00 H ATOM 165 HE2 LYS A 12 6.796 -2.868 -10.354 1.00 0.00 H ATOM 166 HE3 LYS A 12 6.612 -3.457 -8.689 1.00 0.00 H ATOM 167 HZ1 LYS A 12 9.140 -3.208 -10.146 1.00 0.00 H ATOM 168 HZ2 LYS A 12 8.600 -2.208 -8.953 1.00 0.00 H ATOM 169 HZ3 LYS A 12 8.970 -3.776 -8.607 1.00 0.00 H ATOM 170 N TYR A 13 2.499 -6.015 -7.345 1.00 0.00 N ATOM 171 CA TYR A 13 2.092 -6.497 -6.030 1.00 0.00 C ATOM 172 C TYR A 13 0.624 -6.940 -5.971 1.00 0.00 C ATOM 173 O TYR A 13 0.331 -7.950 -5.334 1.00 0.00 O ATOM 174 CB TYR A 13 2.399 -5.434 -4.965 1.00 0.00 C ATOM 175 CG TYR A 13 3.869 -5.284 -4.597 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.793 -4.737 -5.509 1.00 0.00 C ATOM 177 CD2 TYR A 13 4.308 -5.659 -3.313 1.00 0.00 C ATOM 178 CE1 TYR A 13 6.141 -4.580 -5.148 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.658 -5.504 -2.952 1.00 0.00 C ATOM 180 CZ TYR A 13 6.575 -4.963 -3.868 1.00 0.00 C ATOM 181 OH TYR A 13 7.883 -4.810 -3.512 1.00 0.00 O ATOM 182 H TYR A 13 2.632 -5.019 -7.458 1.00 0.00 H ATOM 183 HA TYR A 13 2.697 -7.370 -5.781 1.00 0.00 H ATOM 184 HB2 TYR A 13 2.004 -4.470 -5.286 1.00 0.00 H ATOM 185 HB3 TYR A 13 1.868 -5.722 -4.058 1.00 0.00 H ATOM 186 HD1 TYR A 13 4.480 -4.419 -6.487 1.00 0.00 H ATOM 187 HD2 TYR A 13 3.610 -6.061 -2.592 1.00 0.00 H ATOM 188 HE1 TYR A 13 6.839 -4.158 -5.857 1.00 0.00 H ATOM 189 HE2 TYR A 13 5.989 -5.797 -1.965 1.00 0.00 H ATOM 190 HH TYR A 13 8.425 -4.433 -4.210 1.00 0.00 H ATOM 191 N PHE A 14 -0.299 -6.192 -6.590 1.00 0.00 N ATOM 192 CA PHE A 14 -1.734 -6.457 -6.510 1.00 0.00 C ATOM 193 C PHE A 14 -2.438 -6.076 -7.815 1.00 0.00 C ATOM 194 O PHE A 14 -3.108 -5.048 -7.898 1.00 0.00 O ATOM 195 CB PHE A 14 -2.347 -5.786 -5.265 1.00 0.00 C ATOM 196 CG PHE A 14 -1.859 -4.382 -4.944 1.00 0.00 C ATOM 197 CD1 PHE A 14 -0.743 -4.214 -4.104 1.00 0.00 C ATOM 198 CD2 PHE A 14 -2.557 -3.248 -5.402 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.261 -2.927 -3.811 1.00 0.00 C ATOM 200 CE2 PHE A 14 -2.094 -1.959 -5.083 1.00 0.00 C ATOM 201 CZ PHE A 14 -0.930 -1.798 -4.312 1.00 0.00 C ATOM 202 H PHE A 14 -0.005 -5.385 -7.124 1.00 0.00 H ATOM 203 HA PHE A 14 -1.898 -7.530 -6.392 1.00 0.00 H ATOM 204 HB2 PHE A 14 -3.434 -5.781 -5.360 1.00 0.00 H ATOM 205 HB3 PHE A 14 -2.110 -6.418 -4.409 1.00 0.00 H ATOM 206 HD1 PHE A 14 -0.260 -5.076 -3.672 1.00 0.00 H ATOM 207 HD2 PHE A 14 -3.454 -3.358 -5.994 1.00 0.00 H ATOM 208 HE1 PHE A 14 0.616 -2.813 -3.190 1.00 0.00 H ATOM 209 HE2 PHE A 14 -2.632 -1.091 -5.436 1.00 0.00 H ATOM 210 HZ PHE A 14 -0.558 -0.807 -4.092 1.00 0.00 H ATOM 211 N GLN A 15 -2.313 -6.944 -8.826 1.00 0.00 N ATOM 212 CA GLN A 15 -3.065 -6.864 -10.070 1.00 0.00 C ATOM 213 C GLN A 15 -3.255 -8.287 -10.599 1.00 0.00 C ATOM 214 O GLN A 15 -2.428 -8.796 -11.352 1.00 0.00 O ATOM 215 CB GLN A 15 -2.342 -5.953 -11.073 1.00 0.00 C ATOM 216 CG GLN A 15 -3.179 -5.744 -12.342 1.00 0.00 C ATOM 217 CD GLN A 15 -2.437 -4.897 -13.373 1.00 0.00 C ATOM 218 OE1 GLN A 15 -1.384 -5.308 -13.857 1.00 0.00 O ATOM 219 NE2 GLN A 15 -2.995 -3.729 -13.717 1.00 0.00 N ATOM 220 H GLN A 15 -1.723 -7.752 -8.695 1.00 0.00 H ATOM 221 HA GLN A 15 -4.049 -6.435 -9.870 1.00 0.00 H ATOM 222 HB2 GLN A 15 -2.169 -4.978 -10.616 1.00 0.00 H ATOM 223 HB3 GLN A 15 -1.379 -6.393 -11.335 1.00 0.00 H ATOM 224 HG2 GLN A 15 -3.398 -6.706 -12.806 1.00 0.00 H ATOM 225 HG3 GLN A 15 -4.122 -5.267 -12.073 1.00 0.00 H ATOM 226 HE21 GLN A 15 -3.860 -3.455 -13.276 1.00 0.00 H HETATM 227 N NH2 A 16 -4.344 -8.943 -10.193 1.00 0.00 N HETATM 228 HN1 NH2 A 16 -4.999 -8.499 -9.566 1.00 0.00 H HETATM 229 HN2 NH2 A 16 -4.507 -9.885 -10.518 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -2.443 -2.834 -14.723 1.00 0.00 C HETATM 232 C2 LNK A 17 -1.511 -1.803 -14.075 1.00 0.00 C HETATM 233 C3 LNK A 17 -2.209 -0.858 -13.089 1.00 0.00 C HETATM 234 C4 LNK A 17 -3.222 0.059 -13.791 1.00 0.00 C HETATM 235 C5 LNK A 17 -3.764 1.145 -12.853 1.00 0.00 C HETATM 236 H11 LNK A 17 -3.257 -2.333 -15.245 1.00 0.00 H HETATM 237 H12 LNK A 17 -1.876 -3.402 -15.462 1.00 0.00 H HETATM 238 H21 LNK A 17 -0.729 -2.336 -13.536 1.00 0.00 H HETATM 239 H22 LNK A 17 -1.040 -1.211 -14.860 1.00 0.00 H HETATM 240 H31 LNK A 17 -2.707 -1.430 -12.306 1.00 0.00 H HETATM 241 H32 LNK A 17 -1.430 -0.251 -12.628 1.00 0.00 H HETATM 242 H41 LNK A 17 -4.069 -0.533 -14.137 1.00 0.00 H HETATM 243 H42 LNK A 17 -2.751 0.530 -14.654 1.00 0.00 H HETATM 244 H51 LNK A 17 -4.502 1.748 -13.384 1.00 0.00 H HETATM 245 H52 LNK A 17 -4.251 0.673 -11.999 1.00 0.00 H