HETATM 1 C ACE A 3 0.992 11.279 -9.097 1.00 0.00 C HETATM 2 O ACE A 3 0.370 10.635 -9.940 1.00 0.00 O HETATM 3 CH3 ACE A 3 1.646 12.605 -9.472 1.00 0.00 C HETATM 4 H1 ACE A 3 2.726 12.526 -9.351 1.00 0.00 H HETATM 5 H2 ACE A 3 1.419 12.854 -10.509 1.00 0.00 H HETATM 6 H3 ACE A 3 1.268 13.396 -8.824 1.00 0.00 H ATOM 7 N ARG A 4 1.143 10.886 -7.826 1.00 0.00 N ATOM 8 CA ARG A 4 0.601 9.659 -7.252 1.00 0.00 C ATOM 9 C ARG A 4 1.010 8.421 -8.068 1.00 0.00 C ATOM 10 O ARG A 4 0.147 7.758 -8.643 1.00 0.00 O ATOM 11 CB ARG A 4 -0.927 9.776 -7.089 1.00 0.00 C ATOM 12 CG ARG A 4 -1.388 11.042 -6.348 1.00 0.00 C ATOM 13 CD ARG A 4 -0.824 11.146 -4.926 1.00 0.00 C ATOM 14 NE ARG A 4 -1.406 12.291 -4.211 1.00 0.00 N ATOM 15 CZ ARG A 4 -1.167 12.592 -2.924 1.00 0.00 C ATOM 16 NH1 ARG A 4 -0.335 11.844 -2.185 1.00 0.00 N ATOM 17 NH2 ARG A 4 -1.767 13.653 -2.366 1.00 0.00 N ATOM 18 H ARG A 4 1.669 11.485 -7.207 1.00 0.00 H ATOM 19 HA ARG A 4 1.022 9.539 -6.255 1.00 0.00 H ATOM 20 HB2 ARG A 4 -1.399 9.784 -8.073 1.00 0.00 H ATOM 21 HB3 ARG A 4 -1.290 8.902 -6.547 1.00 0.00 H ATOM 22 HG2 ARG A 4 -1.107 11.930 -6.915 1.00 0.00 H ATOM 23 HG3 ARG A 4 -2.477 11.011 -6.286 1.00 0.00 H ATOM 24 HD2 ARG A 4 -1.057 10.228 -4.384 1.00 0.00 H ATOM 25 HD3 ARG A 4 0.257 11.279 -4.967 1.00 0.00 H ATOM 26 HE ARG A 4 -2.034 12.884 -4.735 1.00 0.00 H ATOM 27 HH11 ARG A 4 0.122 11.042 -2.594 1.00 0.00 H ATOM 28 HH12 ARG A 4 -0.162 12.082 -1.219 1.00 0.00 H ATOM 29 HH21 ARG A 4 -2.393 14.228 -2.911 1.00 0.00 H ATOM 30 HH22 ARG A 4 -1.597 13.878 -1.397 1.00 0.00 H ATOM 31 N PRO A 5 2.314 8.090 -8.128 1.00 0.00 N ATOM 32 CA PRO A 5 2.831 6.979 -8.915 1.00 0.00 C ATOM 33 C PRO A 5 2.576 5.647 -8.198 1.00 0.00 C ATOM 34 O PRO A 5 3.495 5.039 -7.654 1.00 0.00 O ATOM 35 CB PRO A 5 4.323 7.289 -9.086 1.00 0.00 C ATOM 36 CG PRO A 5 4.669 7.998 -7.777 1.00 0.00 C ATOM 37 CD PRO A 5 3.411 8.825 -7.511 1.00 0.00 C ATOM 38 HA PRO A 5 2.363 6.951 -9.901 1.00 0.00 H ATOM 39 HB2 PRO A 5 4.939 6.407 -9.267 1.00 0.00 H ATOM 40 HB3 PRO A 5 4.446 7.996 -9.908 1.00 0.00 H ATOM 41 HG2 PRO A 5 4.800 7.263 -6.982 1.00 0.00 H ATOM 42 HG3 PRO A 5 5.563 8.618 -7.865 1.00 0.00 H ATOM 43 HD2 PRO A 5 3.269 8.956 -6.438 1.00 0.00 H ATOM 44 HD3 PRO A 5 3.524 9.793 -7.999 1.00 0.00 H ATOM 45 N LEU A 6 1.314 5.201 -8.204 1.00 0.00 N ATOM 46 CA LEU A 6 0.871 3.934 -7.631 1.00 0.00 C ATOM 47 C LEU A 6 0.927 2.803 -8.667 1.00 0.00 C ATOM 48 O LEU A 6 1.041 1.641 -8.285 1.00 0.00 O ATOM 49 CB LEU A 6 -0.550 4.119 -7.070 1.00 0.00 C ATOM 50 CG LEU A 6 -1.097 2.905 -6.294 1.00 0.00 C ATOM 51 CD1 LEU A 6 -0.294 2.617 -5.019 1.00 0.00 C ATOM 52 CD2 LEU A 6 -2.558 3.159 -5.905 1.00 0.00 C ATOM 53 H LEU A 6 0.611 5.788 -8.634 1.00 0.00 H ATOM 54 HA LEU A 6 1.539 3.681 -6.808 1.00 0.00 H ATOM 55 HB2 LEU A 6 -0.557 4.983 -6.405 1.00 0.00 H ATOM 56 HB3 LEU A 6 -1.220 4.329 -7.906 1.00 0.00 H ATOM 57 HG LEU A 6 -1.078 2.022 -6.932 1.00 0.00 H ATOM 58 HD11 LEU A 6 -0.289 3.493 -4.371 1.00 0.00 H ATOM 59 HD12 LEU A 6 -0.745 1.782 -4.482 1.00 0.00 H ATOM 60 HD13 LEU A 6 0.731 2.347 -5.262 1.00 0.00 H ATOM 61 HD21 LEU A 6 -3.158 3.309 -6.802 1.00 0.00 H ATOM 62 HD22 LEU A 6 -2.948 2.297 -5.363 1.00 0.00 H ATOM 63 HD23 LEU A 6 -2.632 4.042 -5.269 1.00 0.00 H ATOM 64 N GLN A 7 0.833 3.145 -9.963 1.00 0.00 N ATOM 65 CA GLN A 7 0.719 2.238 -11.105 1.00 0.00 C ATOM 66 C GLN A 7 1.600 0.993 -10.976 1.00 0.00 C ATOM 67 O GLN A 7 1.086 -0.123 -10.970 1.00 0.00 O ATOM 68 CB GLN A 7 1.060 3.021 -12.384 1.00 0.00 C ATOM 69 CG GLN A 7 1.060 2.168 -13.662 1.00 0.00 C ATOM 70 CD GLN A 7 -0.316 1.590 -13.978 1.00 0.00 C ATOM 71 OE1 GLN A 7 -1.133 2.261 -14.607 1.00 0.00 O ATOM 72 NE2 GLN A 7 -0.573 0.348 -13.552 1.00 0.00 N ATOM 73 H GLN A 7 0.758 4.128 -10.176 1.00 0.00 H ATOM 74 HA GLN A 7 -0.323 1.919 -11.163 1.00 0.00 H ATOM 75 HB2 GLN A 7 0.339 3.831 -12.506 1.00 0.00 H ATOM 76 HB3 GLN A 7 2.051 3.464 -12.276 1.00 0.00 H ATOM 77 HG2 GLN A 7 1.350 2.813 -14.493 1.00 0.00 H ATOM 78 HG3 GLN A 7 1.798 1.368 -13.598 1.00 0.00 H ATOM 79 HE21 GLN A 7 0.130 -0.150 -13.023 1.00 0.00 H ATOM 80 N TRP A 8 2.921 1.193 -10.898 1.00 0.00 N ATOM 81 CA TRP A 8 3.910 0.126 -10.815 1.00 0.00 C ATOM 82 C TRP A 8 3.634 -0.809 -9.633 1.00 0.00 C ATOM 83 O TRP A 8 3.754 -2.025 -9.766 1.00 0.00 O ATOM 84 CB TRP A 8 5.311 0.744 -10.703 1.00 0.00 C ATOM 85 CG TRP A 8 5.575 1.462 -9.413 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.179 2.719 -9.119 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.152 0.931 -8.182 1.00 0.00 C ATOM 88 NE1 TRP A 8 5.435 2.994 -7.793 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.025 1.918 -7.162 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.724 -0.305 -7.812 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.432 1.685 -5.839 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.167 -0.537 -6.496 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.011 0.450 -5.507 1.00 0.00 C ATOM 94 H TRP A 8 3.262 2.142 -10.923 1.00 0.00 H ATOM 95 HA TRP A 8 3.866 -0.453 -11.739 1.00 0.00 H ATOM 96 HB2 TRP A 8 6.045 -0.058 -10.797 1.00 0.00 H ATOM 97 HB3 TRP A 8 5.465 1.435 -11.533 1.00 0.00 H ATOM 98 HD1 TRP A 8 4.669 3.386 -9.798 1.00 0.00 H ATOM 99 HE1 TRP A 8 5.178 3.852 -7.323 1.00 0.00 H ATOM 100 HE3 TRP A 8 6.823 -1.086 -8.552 1.00 0.00 H ATOM 101 HZ2 TRP A 8 6.284 2.436 -5.078 1.00 0.00 H ATOM 102 HZ3 TRP A 8 7.628 -1.480 -6.243 1.00 0.00 H ATOM 103 HH2 TRP A 8 7.331 0.257 -4.494 1.00 0.00 H ATOM 104 N LEU A 9 3.272 -0.229 -8.482 1.00 0.00 N ATOM 105 CA LEU A 9 3.053 -0.928 -7.227 1.00 0.00 C ATOM 106 C LEU A 9 1.835 -1.839 -7.385 1.00 0.00 C ATOM 107 O LEU A 9 1.932 -3.051 -7.198 1.00 0.00 O ATOM 108 CB LEU A 9 2.882 0.116 -6.106 1.00 0.00 C ATOM 109 CG LEU A 9 3.403 -0.339 -4.734 1.00 0.00 C ATOM 110 CD1 LEU A 9 3.437 0.859 -3.777 1.00 0.00 C ATOM 111 CD2 LEU A 9 2.527 -1.426 -4.111 1.00 0.00 C ATOM 112 H LEU A 9 3.149 0.774 -8.475 1.00 0.00 H ATOM 113 HA LEU A 9 3.938 -1.532 -7.021 1.00 0.00 H ATOM 114 HB2 LEU A 9 3.454 1.003 -6.377 1.00 0.00 H ATOM 115 HB3 LEU A 9 1.838 0.413 -6.016 1.00 0.00 H ATOM 116 HG LEU A 9 4.419 -0.722 -4.842 1.00 0.00 H ATOM 117 HD11 LEU A 9 4.060 1.651 -4.189 1.00 0.00 H ATOM 118 HD12 LEU A 9 2.429 1.244 -3.622 1.00 0.00 H ATOM 119 HD13 LEU A 9 3.854 0.553 -2.817 1.00 0.00 H ATOM 120 HD21 LEU A 9 1.507 -1.059 -3.999 1.00 0.00 H ATOM 121 HD22 LEU A 9 2.527 -2.312 -4.739 1.00 0.00 H ATOM 122 HD23 LEU A 9 2.929 -1.691 -3.133 1.00 0.00 H ATOM 123 N ALA A 10 0.703 -1.247 -7.784 1.00 0.00 N ATOM 124 CA ALA A 10 -0.540 -1.957 -8.039 1.00 0.00 C ATOM 125 C ALA A 10 -0.348 -3.083 -9.053 1.00 0.00 C ATOM 126 O ALA A 10 -0.910 -4.162 -8.882 1.00 0.00 O ATOM 127 CB ALA A 10 -1.608 -0.972 -8.518 1.00 0.00 C ATOM 128 H ALA A 10 0.716 -0.249 -7.949 1.00 0.00 H ATOM 129 HA ALA A 10 -0.875 -2.392 -7.100 1.00 0.00 H ATOM 130 HB1 ALA A 10 -1.764 -0.201 -7.764 1.00 0.00 H ATOM 131 HB2 ALA A 10 -1.295 -0.503 -9.452 1.00 0.00 H ATOM 132 HB3 ALA A 10 -2.546 -1.503 -8.679 1.00 0.00 H ATOM 133 N GLU A 11 0.445 -2.827 -10.099 1.00 0.00 N ATOM 134 CA GLU A 11 0.721 -3.781 -11.158 1.00 0.00 C ATOM 135 C GLU A 11 1.455 -5.010 -10.615 1.00 0.00 C ATOM 136 O GLU A 11 0.920 -6.115 -10.681 1.00 0.00 O ATOM 137 CB GLU A 11 1.514 -3.085 -12.273 1.00 0.00 C ATOM 138 CG GLU A 11 1.689 -3.988 -13.497 1.00 0.00 C ATOM 139 CD GLU A 11 2.384 -3.231 -14.624 1.00 0.00 C ATOM 140 OE1 GLU A 11 1.664 -2.517 -15.357 1.00 0.00 O ATOM 141 OE2 GLU A 11 3.622 -3.367 -14.725 1.00 0.00 O ATOM 142 H GLU A 11 0.865 -1.910 -10.178 1.00 0.00 H ATOM 143 HA GLU A 11 -0.233 -4.103 -11.577 1.00 0.00 H ATOM 144 HB2 GLU A 11 0.975 -2.191 -12.583 1.00 0.00 H ATOM 145 HB3 GLU A 11 2.495 -2.782 -11.911 1.00 0.00 H ATOM 146 HG2 GLU A 11 2.288 -4.861 -13.233 1.00 0.00 H ATOM 147 HG3 GLU A 11 0.712 -4.326 -13.844 1.00 0.00 H ATOM 148 N LYS A 12 2.680 -4.830 -10.104 1.00 0.00 N ATOM 149 CA LYS A 12 3.544 -5.956 -9.771 1.00 0.00 C ATOM 150 C LYS A 12 3.035 -6.765 -8.576 1.00 0.00 C ATOM 151 O LYS A 12 3.071 -7.993 -8.618 1.00 0.00 O ATOM 152 CB LYS A 12 5.008 -5.516 -9.609 1.00 0.00 C ATOM 153 CG LYS A 12 5.291 -4.712 -8.336 1.00 0.00 C ATOM 154 CD LYS A 12 6.729 -4.177 -8.296 1.00 0.00 C ATOM 155 CE LYS A 12 7.789 -5.264 -8.075 1.00 0.00 C ATOM 156 NZ LYS A 12 7.641 -5.918 -6.763 1.00 0.00 N ATOM 157 H LYS A 12 3.062 -3.895 -10.041 1.00 0.00 H ATOM 158 HA LYS A 12 3.536 -6.625 -10.634 1.00 0.00 H ATOM 159 HB2 LYS A 12 5.621 -6.415 -9.586 1.00 0.00 H ATOM 160 HB3 LYS A 12 5.293 -4.920 -10.476 1.00 0.00 H ATOM 161 HG2 LYS A 12 4.610 -3.865 -8.291 1.00 0.00 H ATOM 162 HG3 LYS A 12 5.122 -5.345 -7.469 1.00 0.00 H ATOM 163 HD2 LYS A 12 6.942 -3.653 -9.229 1.00 0.00 H ATOM 164 HD3 LYS A 12 6.805 -3.461 -7.478 1.00 0.00 H ATOM 165 HE2 LYS A 12 7.739 -6.015 -8.864 1.00 0.00 H ATOM 166 HE3 LYS A 12 8.775 -4.800 -8.112 1.00 0.00 H ATOM 167 HZ1 LYS A 12 7.699 -5.223 -6.032 1.00 0.00 H ATOM 168 HZ2 LYS A 12 6.747 -6.386 -6.711 1.00 0.00 H ATOM 169 HZ3 LYS A 12 8.380 -6.596 -6.640 1.00 0.00 H ATOM 170 N TYR A 13 2.585 -6.094 -7.507 1.00 0.00 N ATOM 171 CA TYR A 13 2.221 -6.771 -6.270 1.00 0.00 C ATOM 172 C TYR A 13 0.827 -7.391 -6.361 1.00 0.00 C ATOM 173 O TYR A 13 0.677 -8.598 -6.179 1.00 0.00 O ATOM 174 CB TYR A 13 2.310 -5.806 -5.080 1.00 0.00 C ATOM 175 CG TYR A 13 3.724 -5.485 -4.630 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.354 -6.295 -3.666 1.00 0.00 C ATOM 177 CD2 TYR A 13 4.400 -4.360 -5.136 1.00 0.00 C ATOM 178 CE1 TYR A 13 5.629 -5.955 -3.180 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.665 -4.008 -4.639 1.00 0.00 C ATOM 180 CZ TYR A 13 6.278 -4.803 -3.655 1.00 0.00 C ATOM 181 OH TYR A 13 7.503 -4.460 -3.163 1.00 0.00 O ATOM 182 H TYR A 13 2.545 -5.083 -7.530 1.00 0.00 H ATOM 183 HA TYR A 13 2.932 -7.578 -6.079 1.00 0.00 H ATOM 184 HB2 TYR A 13 1.778 -4.883 -5.313 1.00 0.00 H ATOM 185 HB3 TYR A 13 1.801 -6.268 -4.234 1.00 0.00 H ATOM 186 HD1 TYR A 13 3.857 -7.178 -3.291 1.00 0.00 H ATOM 187 HD2 TYR A 13 3.967 -3.776 -5.930 1.00 0.00 H ATOM 188 HE1 TYR A 13 6.103 -6.574 -2.432 1.00 0.00 H ATOM 189 HE2 TYR A 13 6.164 -3.131 -5.021 1.00 0.00 H ATOM 190 HH TYR A 13 7.837 -3.633 -3.518 1.00 0.00 H ATOM 191 N PHE A 14 -0.193 -6.561 -6.605 1.00 0.00 N ATOM 192 CA PHE A 14 -1.587 -6.968 -6.490 1.00 0.00 C ATOM 193 C PHE A 14 -2.101 -7.584 -7.791 1.00 0.00 C ATOM 194 O PHE A 14 -2.550 -8.728 -7.795 1.00 0.00 O ATOM 195 CB PHE A 14 -2.435 -5.771 -6.029 1.00 0.00 C ATOM 196 CG PHE A 14 -1.860 -4.974 -4.864 1.00 0.00 C ATOM 197 CD1 PHE A 14 -1.169 -5.616 -3.815 1.00 0.00 C ATOM 198 CD2 PHE A 14 -1.949 -3.569 -4.872 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.498 -4.856 -2.842 1.00 0.00 C ATOM 200 CE2 PHE A 14 -1.271 -2.809 -3.903 1.00 0.00 C ATOM 201 CZ PHE A 14 -0.535 -3.452 -2.893 1.00 0.00 C ATOM 202 H PHE A 14 -0.002 -5.584 -6.771 1.00 0.00 H ATOM 203 HA PHE A 14 -1.674 -7.734 -5.717 1.00 0.00 H ATOM 204 HB2 PHE A 14 -2.554 -5.089 -6.872 1.00 0.00 H ATOM 205 HB3 PHE A 14 -3.425 -6.132 -5.750 1.00 0.00 H ATOM 206 HD1 PHE A 14 -1.127 -6.694 -3.757 1.00 0.00 H ATOM 207 HD2 PHE A 14 -2.531 -3.067 -5.630 1.00 0.00 H ATOM 208 HE1 PHE A 14 0.050 -5.352 -2.054 1.00 0.00 H ATOM 209 HE2 PHE A 14 -1.313 -1.730 -3.935 1.00 0.00 H ATOM 210 HZ PHE A 14 -0.010 -2.871 -2.149 1.00 0.00 H ATOM 211 N GLN A 15 -2.045 -6.827 -8.893 1.00 0.00 N ATOM 212 CA GLN A 15 -2.625 -7.213 -10.172 1.00 0.00 C ATOM 213 C GLN A 15 -1.591 -7.970 -11.011 1.00 0.00 C ATOM 214 O GLN A 15 -1.296 -7.595 -12.144 1.00 0.00 O ATOM 215 CB GLN A 15 -3.153 -5.962 -10.887 1.00 0.00 C ATOM 216 CG GLN A 15 -4.225 -5.254 -10.046 1.00 0.00 C ATOM 217 CD GLN A 15 -4.774 -4.022 -10.756 1.00 0.00 C ATOM 218 OE1 GLN A 15 -5.939 -4.000 -11.147 1.00 0.00 O ATOM 219 NE2 GLN A 15 -3.927 -2.998 -10.912 1.00 0.00 N ATOM 220 H GLN A 15 -1.620 -5.912 -8.831 1.00 0.00 H ATOM 221 HA GLN A 15 -3.475 -7.877 -10.009 1.00 0.00 H ATOM 222 HB2 GLN A 15 -2.325 -5.279 -11.081 1.00 0.00 H ATOM 223 HB3 GLN A 15 -3.598 -6.255 -11.840 1.00 0.00 H ATOM 224 HG2 GLN A 15 -5.045 -5.950 -9.857 1.00 0.00 H ATOM 225 HG3 GLN A 15 -3.811 -4.935 -9.090 1.00 0.00 H ATOM 226 HE21 GLN A 15 -2.984 -3.091 -10.564 1.00 0.00 H HETATM 227 N NH2 A 16 -1.046 -9.054 -10.456 1.00 0.00 N HETATM 228 HN1 NH2 A 16 -0.355 -9.586 -10.964 1.00 0.00 H HETATM 229 HN2 NH2 A 16 -1.322 -9.329 -9.523 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -4.283 -1.753 -11.574 1.00 0.00 C HETATM 232 C2 LNK A 17 -4.349 -1.942 -13.095 1.00 0.00 C HETATM 233 C3 LNK A 17 -3.070 -2.537 -13.706 1.00 0.00 C HETATM 234 C4 LNK A 17 -1.785 -1.772 -13.364 1.00 0.00 C HETATM 235 C5 LNK A 17 -1.846 -0.307 -13.803 1.00 0.00 C HETATM 236 H11 LNK A 17 -3.543 -0.994 -11.322 1.00 0.00 H HETATM 237 H12 LNK A 17 -5.254 -1.408 -11.214 1.00 0.00 H HETATM 238 H21 LNK A 17 -5.178 -2.610 -13.334 1.00 0.00 H HETATM 239 H22 LNK A 17 -4.562 -0.978 -13.558 1.00 0.00 H HETATM 240 H31 LNK A 17 -2.955 -3.568 -13.369 1.00 0.00 H HETATM 241 H32 LNK A 17 -3.187 -2.552 -14.791 1.00 0.00 H HETATM 242 H41 LNK A 17 -0.966 -2.258 -13.896 1.00 0.00 H HETATM 243 H42 LNK A 17 -1.587 -1.829 -12.294 1.00 0.00 H HETATM 244 H51 LNK A 17 -2.074 -0.264 -14.869 1.00 0.00 H HETATM 245 H52 LNK A 17 -2.620 0.222 -13.248 1.00 0.00 H