HETATM 1 C ACE A 0 8.930 1.613 -10.796 1.00 0.00 C HETATM 2 O ACE A 0 8.369 0.524 -10.911 1.00 0.00 O HETATM 3 CH3 ACE A 0 10.136 1.951 -11.663 1.00 0.00 C HETATM 4 H1 ACE A 0 10.999 2.149 -11.027 1.00 0.00 H HETATM 5 H2 ACE A 0 10.363 1.116 -12.326 1.00 0.00 H HETATM 6 H3 ACE A 0 9.918 2.835 -12.263 1.00 0.00 H ATOM 7 N CYS A 1 8.537 2.553 -9.929 1.00 0.00 N ATOM 8 CA CYS A 1 7.405 2.394 -9.029 1.00 0.00 C ATOM 9 C CYS A 1 6.140 2.896 -9.726 1.00 0.00 C ATOM 10 O CYS A 1 5.903 4.101 -9.795 1.00 0.00 O ATOM 11 CB CYS A 1 7.678 3.123 -7.706 1.00 0.00 C ATOM 12 SG CYS A 1 9.176 2.645 -6.788 1.00 0.00 S ATOM 13 H CYS A 1 9.042 3.426 -9.893 1.00 0.00 H ATOM 14 HA CYS A 1 7.261 1.340 -8.800 1.00 0.00 H ATOM 15 HB2 CYS A 1 7.725 4.199 -7.879 1.00 0.00 H ATOM 16 HB3 CYS A 1 6.834 2.923 -7.047 1.00 0.00 H ATOM 17 N THR A 2 5.349 1.961 -10.265 1.00 0.00 N ATOM 18 CA THR A 2 4.200 2.236 -11.115 1.00 0.00 C ATOM 19 C THR A 2 2.897 2.057 -10.336 1.00 0.00 C ATOM 20 O THR A 2 2.669 1.005 -9.739 1.00 0.00 O ATOM 21 CB THR A 2 4.233 1.295 -12.329 1.00 0.00 C ATOM 22 OG1 THR A 2 4.302 -0.052 -11.906 1.00 0.00 O ATOM 23 CG2 THR A 2 5.432 1.595 -13.234 1.00 0.00 C ATOM 24 H THR A 2 5.590 0.985 -10.137 1.00 0.00 H ATOM 25 HA THR A 2 4.250 3.260 -11.490 1.00 0.00 H ATOM 26 HB THR A 2 3.320 1.435 -12.911 1.00 0.00 H ATOM 27 HG1 THR A 2 3.513 -0.250 -11.391 1.00 0.00 H ATOM 28 HG21 THR A 2 6.367 1.423 -12.700 1.00 0.00 H ATOM 29 HG22 THR A 2 5.400 0.942 -14.106 1.00 0.00 H ATOM 30 HG23 THR A 2 5.395 2.633 -13.567 1.00 0.00 H ATOM 31 N TRP A 3 2.027 3.073 -10.376 1.00 0.00 N ATOM 32 CA TRP A 3 0.667 2.970 -9.873 1.00 0.00 C ATOM 33 C TRP A 3 -0.156 2.119 -10.836 1.00 0.00 C ATOM 34 O TRP A 3 -0.200 2.405 -12.032 1.00 0.00 O ATOM 35 CB TRP A 3 0.051 4.363 -9.715 1.00 0.00 C ATOM 36 CG TRP A 3 0.491 5.101 -8.491 1.00 0.00 C ATOM 37 CD1 TRP A 3 1.375 6.121 -8.446 1.00 0.00 C ATOM 38 CD2 TRP A 3 0.082 4.867 -7.112 1.00 0.00 C ATOM 39 NE1 TRP A 3 1.544 6.538 -7.141 1.00 0.00 N ATOM 40 CE2 TRP A 3 0.770 5.792 -6.274 1.00 0.00 C ATOM 41 CE3 TRP A 3 -0.802 3.963 -6.484 1.00 0.00 C ATOM 42 CZ2 TRP A 3 0.596 5.813 -4.882 1.00 0.00 C ATOM 43 CZ3 TRP A 3 -0.982 3.974 -5.088 1.00 0.00 C ATOM 44 CH2 TRP A 3 -0.279 4.889 -4.287 1.00 0.00 C ATOM 45 H TRP A 3 2.277 3.914 -10.876 1.00 0.00 H ATOM 46 HA TRP A 3 0.678 2.493 -8.893 1.00 0.00 H ATOM 47 HB2 TRP A 3 0.257 4.960 -10.604 1.00 0.00 H ATOM 48 HB3 TRP A 3 -1.032 4.249 -9.637 1.00 0.00 H ATOM 49 HD1 TRP A 3 1.881 6.544 -9.302 1.00 0.00 H ATOM 50 HE1 TRP A 3 2.153 7.284 -6.837 1.00 0.00 H ATOM 51 HE3 TRP A 3 -1.348 3.253 -7.087 1.00 0.00 H ATOM 52 HZ2 TRP A 3 1.137 6.524 -4.274 1.00 0.00 H ATOM 53 HZ3 TRP A 3 -1.663 3.273 -4.628 1.00 0.00 H ATOM 54 HH2 TRP A 3 -0.404 4.874 -3.215 1.00 0.00 H ATOM 55 N GLU A 4 -0.810 1.080 -10.307 1.00 0.00 N ATOM 56 CA GLU A 4 -1.633 0.164 -11.083 1.00 0.00 C ATOM 57 C GLU A 4 -3.075 0.690 -11.137 1.00 0.00 C ATOM 58 O GLU A 4 -3.447 1.500 -10.289 1.00 0.00 O ATOM 59 CB GLU A 4 -1.579 -1.227 -10.435 1.00 0.00 C ATOM 60 CG GLU A 4 -0.149 -1.759 -10.272 1.00 0.00 C ATOM 61 CD GLU A 4 0.624 -1.766 -11.588 1.00 0.00 C ATOM 62 OE1 GLU A 4 0.258 -2.587 -12.456 1.00 0.00 O ATOM 63 OE2 GLU A 4 1.562 -0.948 -11.704 1.00 0.00 O ATOM 64 H GLU A 4 -0.717 0.900 -9.316 1.00 0.00 H ATOM 65 HA GLU A 4 -1.222 0.101 -12.089 1.00 0.00 H ATOM 66 HB2 GLU A 4 -2.044 -1.183 -9.449 1.00 0.00 H ATOM 67 HB3 GLU A 4 -2.137 -1.934 -11.047 1.00 0.00 H ATOM 68 HG2 GLU A 4 0.391 -1.155 -9.544 1.00 0.00 H ATOM 69 HG3 GLU A 4 -0.207 -2.780 -9.895 1.00 0.00 H ATOM 70 N PRO A 5 -3.900 0.246 -12.106 1.00 0.00 N ATOM 71 CA PRO A 5 -5.304 0.634 -12.220 1.00 0.00 C ATOM 72 C PRO A 5 -6.095 0.456 -10.920 1.00 0.00 C ATOM 73 O PRO A 5 -6.922 1.299 -10.579 1.00 0.00 O ATOM 74 CB PRO A 5 -5.884 -0.234 -13.340 1.00 0.00 C ATOM 75 CG PRO A 5 -4.672 -0.490 -14.230 1.00 0.00 C ATOM 76 CD PRO A 5 -3.538 -0.625 -13.215 1.00 0.00 C ATOM 77 HA PRO A 5 -5.343 1.680 -12.529 1.00 0.00 H ATOM 78 HB2 PRO A 5 -6.234 -1.187 -12.940 1.00 0.00 H ATOM 79 HB3 PRO A 5 -6.692 0.267 -13.875 1.00 0.00 H ATOM 80 HG2 PRO A 5 -4.788 -1.382 -14.846 1.00 0.00 H ATOM 81 HG3 PRO A 5 -4.496 0.384 -14.859 1.00 0.00 H ATOM 82 HD2 PRO A 5 -3.488 -1.658 -12.871 1.00 0.00 H ATOM 83 HD3 PRO A 5 -2.602 -0.339 -13.694 1.00 0.00 H ATOM 84 N ASP A 6 -5.822 -0.633 -10.190 1.00 0.00 N ATOM 85 CA ASP A 6 -6.450 -0.957 -8.913 1.00 0.00 C ATOM 86 C ASP A 6 -5.968 -0.073 -7.749 1.00 0.00 C ATOM 87 O ASP A 6 -6.378 -0.297 -6.612 1.00 0.00 O ATOM 88 CB ASP A 6 -6.233 -2.447 -8.616 1.00 0.00 C ATOM 89 CG ASP A 6 -4.751 -2.810 -8.556 1.00 0.00 C ATOM 90 OD1 ASP A 6 -4.176 -3.024 -9.645 1.00 0.00 O ATOM 91 OD2 ASP A 6 -4.218 -2.860 -7.428 1.00 0.00 O ATOM 92 H ASP A 6 -5.127 -1.280 -10.536 1.00 0.00 H ATOM 93 HA ASP A 6 -7.526 -0.801 -9.011 1.00 0.00 H ATOM 94 HB2 ASP A 6 -6.711 -2.707 -7.671 1.00 0.00 H ATOM 95 HB3 ASP A 6 -6.705 -3.036 -9.404 1.00 0.00 H ATOM 96 N GLY A 7 -5.127 0.936 -8.016 1.00 0.00 N ATOM 97 CA GLY A 7 -4.719 1.934 -7.040 1.00 0.00 C ATOM 98 C GLY A 7 -3.758 1.356 -6.006 1.00 0.00 C ATOM 99 O GLY A 7 -3.995 1.485 -4.806 1.00 0.00 O ATOM 100 H GLY A 7 -4.797 1.069 -8.962 1.00 0.00 H ATOM 101 HA2 GLY A 7 -4.218 2.748 -7.565 1.00 0.00 H ATOM 102 HA3 GLY A 7 -5.601 2.337 -6.540 1.00 0.00 H ATOM 103 N LYS A 8 -2.669 0.737 -6.477 1.00 0.00 N ATOM 104 CA LYS A 8 -1.597 0.215 -5.641 1.00 0.00 C ATOM 105 C LYS A 8 -0.262 0.527 -6.311 1.00 0.00 C ATOM 106 O LYS A 8 -0.128 0.361 -7.523 1.00 0.00 O ATOM 107 CB LYS A 8 -1.762 -1.296 -5.427 1.00 0.00 C ATOM 108 CG LYS A 8 -3.058 -1.624 -4.676 1.00 0.00 C ATOM 109 CD LYS A 8 -3.124 -3.119 -4.341 1.00 0.00 C ATOM 110 CE LYS A 8 -4.516 -3.518 -3.839 1.00 0.00 C ATOM 111 NZ LYS A 8 -4.896 -2.785 -2.620 1.00 0.00 N ATOM 112 H LYS A 8 -2.544 0.669 -7.477 1.00 0.00 H ATOM 113 HA LYS A 8 -1.613 0.705 -4.665 1.00 0.00 H ATOM 114 HB2 LYS A 8 -1.760 -1.804 -6.393 1.00 0.00 H ATOM 115 HB3 LYS A 8 -0.916 -1.657 -4.840 1.00 0.00 H ATOM 116 HG2 LYS A 8 -3.096 -1.042 -3.755 1.00 0.00 H ATOM 117 HG3 LYS A 8 -3.915 -1.360 -5.296 1.00 0.00 H ATOM 118 HD2 LYS A 8 -2.904 -3.700 -5.237 1.00 0.00 H ATOM 119 HD3 LYS A 8 -2.377 -3.355 -3.581 1.00 0.00 H ATOM 120 HE2 LYS A 8 -5.254 -3.319 -4.617 1.00 0.00 H ATOM 121 HE3 LYS A 8 -4.520 -4.587 -3.621 1.00 0.00 H ATOM 122 HZ1 LYS A 8 -4.217 -2.963 -1.893 1.00 0.00 H ATOM 123 HZ2 LYS A 8 -4.928 -1.795 -2.816 1.00 0.00 H ATOM 124 HZ3 LYS A 8 -5.806 -3.095 -2.311 1.00 0.00 H ATOM 125 N LEU A 9 0.713 0.996 -5.524 1.00 0.00 N ATOM 126 CA LEU A 9 2.036 1.356 -6.007 1.00 0.00 C ATOM 127 C LEU A 9 2.904 0.099 -6.056 1.00 0.00 C ATOM 128 O LEU A 9 3.379 -0.364 -5.019 1.00 0.00 O ATOM 129 CB LEU A 9 2.632 2.435 -5.092 1.00 0.00 C ATOM 130 CG LEU A 9 4.003 2.955 -5.555 1.00 0.00 C ATOM 131 CD1 LEU A 9 3.945 3.518 -6.980 1.00 0.00 C ATOM 132 CD2 LEU A 9 4.465 4.056 -4.594 1.00 0.00 C ATOM 133 H LEU A 9 0.532 1.107 -4.537 1.00 0.00 H ATOM 134 HA LEU A 9 1.933 1.782 -7.003 1.00 0.00 H ATOM 135 HB2 LEU A 9 1.940 3.275 -5.062 1.00 0.00 H ATOM 136 HB3 LEU A 9 2.725 2.038 -4.080 1.00 0.00 H ATOM 137 HG LEU A 9 4.735 2.147 -5.523 1.00 0.00 H ATOM 138 HD11 LEU A 9 3.077 4.165 -7.091 1.00 0.00 H ATOM 139 HD12 LEU A 9 4.841 4.100 -7.191 1.00 0.00 H ATOM 140 HD13 LEU A 9 3.884 2.703 -7.699 1.00 0.00 H ATOM 141 HD21 LEU A 9 4.510 3.665 -3.578 1.00 0.00 H ATOM 142 HD22 LEU A 9 5.458 4.404 -4.880 1.00 0.00 H ATOM 143 HD23 LEU A 9 3.770 4.896 -4.625 1.00 0.00 H ATOM 144 N THR A 10 3.110 -0.447 -7.259 1.00 0.00 N ATOM 145 CA THR A 10 3.869 -1.669 -7.481 1.00 0.00 C ATOM 146 C THR A 10 5.277 -1.290 -7.933 1.00 0.00 C ATOM 147 O THR A 10 5.438 -0.622 -8.954 1.00 0.00 O ATOM 148 CB THR A 10 3.148 -2.533 -8.525 1.00 0.00 C ATOM 149 OG1 THR A 10 1.869 -2.869 -8.028 1.00 0.00 O ATOM 150 CG2 THR A 10 3.912 -3.828 -8.818 1.00 0.00 C ATOM 151 H THR A 10 2.702 -0.003 -8.072 1.00 0.00 H ATOM 152 HA THR A 10 3.926 -2.250 -6.558 1.00 0.00 H ATOM 153 HB THR A 10 3.033 -1.971 -9.453 1.00 0.00 H ATOM 154 HG1 THR A 10 1.424 -3.420 -8.674 1.00 0.00 H ATOM 155 HG21 THR A 10 3.337 -4.440 -9.515 1.00 0.00 H ATOM 156 HG22 THR A 10 4.880 -3.607 -9.270 1.00 0.00 H ATOM 157 HG23 THR A 10 4.065 -4.389 -7.895 1.00 0.00 H ATOM 158 N CYS A 11 6.287 -1.705 -7.158 1.00 0.00 N ATOM 159 CA CYS A 11 7.689 -1.413 -7.419 1.00 0.00 C ATOM 160 C CYS A 11 8.550 -2.637 -7.107 1.00 0.00 C ATOM 161 O CYS A 11 8.163 -3.485 -6.305 1.00 0.00 O ATOM 162 CB CYS A 11 8.114 -0.193 -6.594 1.00 0.00 C ATOM 163 SG CYS A 11 9.524 0.699 -7.296 1.00 0.00 S ATOM 164 H CYS A 11 6.082 -2.262 -6.340 1.00 0.00 H ATOM 165 HA CYS A 11 7.811 -1.177 -8.478 1.00 0.00 H ATOM 166 HB2 CYS A 11 7.276 0.504 -6.566 1.00 0.00 H ATOM 167 HB3 CYS A 11 8.337 -0.485 -5.567 1.00 0.00 H HETATM 168 N NH2 A 12 9.719 -2.734 -7.742 1.00 0.00 N HETATM 169 HN1 NH2 A 12 10.319 -3.527 -7.566 1.00 0.00 H HETATM 170 HN2 NH2 A 12 10.001 -2.017 -8.395 1.00 0.00 H TER 171 NH2 A 12