HETATM 1 C ACE A 0 8.871 1.519 -10.776 1.00 0.00 C HETATM 2 O ACE A 0 8.282 0.445 -10.883 1.00 0.00 O HETATM 3 CH3 ACE A 0 10.077 1.826 -11.654 1.00 0.00 C HETATM 4 H1 ACE A 0 9.877 2.714 -12.254 1.00 0.00 H HETATM 5 H2 ACE A 0 10.951 2.002 -11.027 1.00 0.00 H HETATM 6 H3 ACE A 0 10.277 0.984 -12.318 1.00 0.00 H ATOM 7 N CYS A 1 8.511 2.470 -9.906 1.00 0.00 N ATOM 8 CA CYS A 1 7.384 2.342 -8.996 1.00 0.00 C ATOM 9 C CYS A 1 6.126 2.875 -9.683 1.00 0.00 C ATOM 10 O CYS A 1 5.918 4.086 -9.746 1.00 0.00 O ATOM 11 CB CYS A 1 7.687 3.066 -7.676 1.00 0.00 C ATOM 12 SG CYS A 1 9.183 2.556 -6.773 1.00 0.00 S ATOM 13 H CYS A 1 9.039 3.330 -9.876 1.00 0.00 H ATOM 14 HA CYS A 1 7.214 1.292 -8.763 1.00 0.00 H ATOM 15 HB2 CYS A 1 7.758 4.140 -7.853 1.00 0.00 H ATOM 16 HB3 CYS A 1 6.844 2.889 -7.009 1.00 0.00 H ATOM 17 N THR A 2 5.311 1.962 -10.222 1.00 0.00 N ATOM 18 CA THR A 2 4.176 2.269 -11.081 1.00 0.00 C ATOM 19 C THR A 2 2.859 2.071 -10.330 1.00 0.00 C ATOM 20 O THR A 2 2.606 0.994 -9.792 1.00 0.00 O ATOM 21 CB THR A 2 4.229 1.371 -12.326 1.00 0.00 C ATOM 22 OG1 THR A 2 4.303 0.011 -11.947 1.00 0.00 O ATOM 23 CG2 THR A 2 5.436 1.709 -13.206 1.00 0.00 C ATOM 24 H THR A 2 5.532 0.981 -10.103 1.00 0.00 H ATOM 25 HA THR A 2 4.234 3.304 -11.422 1.00 0.00 H ATOM 26 HB THR A 2 3.322 1.523 -12.913 1.00 0.00 H ATOM 27 HG1 THR A 2 3.501 -0.216 -11.467 1.00 0.00 H ATOM 28 HG21 THR A 2 6.365 1.527 -12.667 1.00 0.00 H ATOM 29 HG22 THR A 2 5.419 1.084 -14.099 1.00 0.00 H ATOM 30 HG23 THR A 2 5.394 2.756 -13.507 1.00 0.00 H ATOM 31 N TRP A 3 2.004 3.101 -10.333 1.00 0.00 N ATOM 32 CA TRP A 3 0.635 2.997 -9.855 1.00 0.00 C ATOM 33 C TRP A 3 -0.174 2.140 -10.827 1.00 0.00 C ATOM 34 O TRP A 3 -0.247 2.455 -12.014 1.00 0.00 O ATOM 35 CB TRP A 3 0.013 4.390 -9.718 1.00 0.00 C ATOM 36 CG TRP A 3 0.420 5.136 -8.488 1.00 0.00 C ATOM 37 CD1 TRP A 3 1.268 6.187 -8.433 1.00 0.00 C ATOM 38 CD2 TRP A 3 0.005 4.887 -7.114 1.00 0.00 C ATOM 39 NE1 TRP A 3 1.407 6.609 -7.126 1.00 0.00 N ATOM 40 CE2 TRP A 3 0.650 5.835 -6.268 1.00 0.00 C ATOM 41 CE3 TRP A 3 -0.855 3.953 -6.497 1.00 0.00 C ATOM 42 CZ2 TRP A 3 0.460 5.849 -4.878 1.00 0.00 C ATOM 43 CZ3 TRP A 3 -1.047 3.952 -5.103 1.00 0.00 C ATOM 44 CH2 TRP A 3 -0.384 4.890 -4.294 1.00 0.00 C ATOM 45 H TRP A 3 2.275 3.961 -10.786 1.00 0.00 H ATOM 46 HA TRP A 3 0.629 2.526 -8.872 1.00 0.00 H ATOM 47 HB2 TRP A 3 0.238 4.983 -10.606 1.00 0.00 H ATOM 48 HB3 TRP A 3 -1.071 4.274 -9.664 1.00 0.00 H ATOM 49 HD1 TRP A 3 1.766 6.630 -9.283 1.00 0.00 H ATOM 50 HE1 TRP A 3 1.986 7.376 -6.815 1.00 0.00 H ATOM 51 HE3 TRP A 3 -1.370 3.226 -7.107 1.00 0.00 H ATOM 52 HZ2 TRP A 3 0.968 6.577 -4.264 1.00 0.00 H ATOM 53 HZ3 TRP A 3 -1.701 3.221 -4.651 1.00 0.00 H ATOM 54 HH2 TRP A 3 -0.514 4.864 -3.223 1.00 0.00 H ATOM 55 N GLU A 4 -0.784 1.068 -10.312 1.00 0.00 N ATOM 56 CA GLU A 4 -1.601 0.152 -11.095 1.00 0.00 C ATOM 57 C GLU A 4 -3.057 0.640 -11.097 1.00 0.00 C ATOM 58 O GLU A 4 -3.429 1.403 -10.206 1.00 0.00 O ATOM 59 CB GLU A 4 -1.486 -1.255 -10.493 1.00 0.00 C ATOM 60 CG GLU A 4 -0.036 -1.752 -10.437 1.00 0.00 C ATOM 61 CD GLU A 4 0.644 -1.733 -11.801 1.00 0.00 C ATOM 62 OE1 GLU A 4 0.208 -2.524 -12.665 1.00 0.00 O ATOM 63 OE2 GLU A 4 1.582 -0.922 -11.960 1.00 0.00 O ATOM 64 H GLU A 4 -0.660 0.862 -9.330 1.00 0.00 H ATOM 65 HA GLU A 4 -1.215 0.136 -12.112 1.00 0.00 H ATOM 66 HB2 GLU A 4 -1.884 -1.242 -9.477 1.00 0.00 H ATOM 67 HB3 GLU A 4 -2.071 -1.959 -11.084 1.00 0.00 H ATOM 68 HG2 GLU A 4 0.536 -1.126 -9.754 1.00 0.00 H ATOM 69 HG3 GLU A 4 -0.030 -2.773 -10.056 1.00 0.00 H ATOM 70 N PRO A 5 -3.890 0.226 -12.073 1.00 0.00 N ATOM 71 CA PRO A 5 -5.284 0.647 -12.193 1.00 0.00 C ATOM 72 C PRO A 5 -6.097 0.491 -10.904 1.00 0.00 C ATOM 73 O PRO A 5 -6.883 1.372 -10.562 1.00 0.00 O ATOM 74 CB PRO A 5 -5.877 -0.199 -13.323 1.00 0.00 C ATOM 75 CG PRO A 5 -4.668 -0.460 -14.215 1.00 0.00 C ATOM 76 CD PRO A 5 -3.536 -0.625 -13.202 1.00 0.00 C ATOM 77 HA PRO A 5 -5.293 1.694 -12.500 1.00 0.00 H ATOM 78 HB2 PRO A 5 -6.240 -1.152 -12.934 1.00 0.00 H ATOM 79 HB3 PRO A 5 -6.677 0.321 -13.851 1.00 0.00 H ATOM 80 HG2 PRO A 5 -4.796 -1.343 -14.843 1.00 0.00 H ATOM 81 HG3 PRO A 5 -4.479 0.419 -14.833 1.00 0.00 H ATOM 82 HD2 PRO A 5 -3.493 -1.665 -12.877 1.00 0.00 H ATOM 83 HD3 PRO A 5 -2.599 -0.339 -13.679 1.00 0.00 H ATOM 84 N ASP A 6 -5.899 -0.625 -10.192 1.00 0.00 N ATOM 85 CA ASP A 6 -6.567 -0.920 -8.929 1.00 0.00 C ATOM 86 C ASP A 6 -6.218 0.081 -7.818 1.00 0.00 C ATOM 87 O ASP A 6 -6.970 0.197 -6.852 1.00 0.00 O ATOM 88 CB ASP A 6 -6.229 -2.352 -8.497 1.00 0.00 C ATOM 89 CG ASP A 6 -4.734 -2.535 -8.245 1.00 0.00 C ATOM 90 OD1 ASP A 6 -4.022 -2.807 -9.235 1.00 0.00 O ATOM 91 OD2 ASP A 6 -4.331 -2.388 -7.071 1.00 0.00 O ATOM 92 H ASP A 6 -5.234 -1.304 -10.534 1.00 0.00 H ATOM 93 HA ASP A 6 -7.644 -0.873 -9.096 1.00 0.00 H ATOM 94 HB2 ASP A 6 -6.778 -2.589 -7.584 1.00 0.00 H ATOM 95 HB3 ASP A 6 -6.548 -3.047 -9.276 1.00 0.00 H ATOM 96 N GLY A 7 -5.089 0.792 -7.945 1.00 0.00 N ATOM 97 CA GLY A 7 -4.632 1.783 -6.985 1.00 0.00 C ATOM 98 C GLY A 7 -3.630 1.164 -6.017 1.00 0.00 C ATOM 99 O GLY A 7 -3.854 1.172 -4.808 1.00 0.00 O ATOM 100 H GLY A 7 -4.520 0.662 -8.770 1.00 0.00 H ATOM 101 HA2 GLY A 7 -4.141 2.591 -7.529 1.00 0.00 H ATOM 102 HA3 GLY A 7 -5.472 2.207 -6.432 1.00 0.00 H ATOM 103 N LYS A 8 -2.522 0.640 -6.557 1.00 0.00 N ATOM 104 CA LYS A 8 -1.422 0.078 -5.787 1.00 0.00 C ATOM 105 C LYS A 8 -0.105 0.511 -6.423 1.00 0.00 C ATOM 106 O LYS A 8 0.134 0.232 -7.598 1.00 0.00 O ATOM 107 CB LYS A 8 -1.545 -1.453 -5.744 1.00 0.00 C ATOM 108 CG LYS A 8 -0.347 -2.164 -5.096 1.00 0.00 C ATOM 109 CD LYS A 8 -0.156 -1.797 -3.618 1.00 0.00 C ATOM 110 CE LYS A 8 1.089 -2.470 -3.028 1.00 0.00 C ATOM 111 NZ LYS A 8 0.986 -3.939 -3.038 1.00 0.00 N ATOM 112 H LYS A 8 -2.415 0.666 -7.562 1.00 0.00 H ATOM 113 HA LYS A 8 -1.464 0.462 -4.768 1.00 0.00 H ATOM 114 HB2 LYS A 8 -2.451 -1.719 -5.197 1.00 0.00 H ATOM 115 HB3 LYS A 8 -1.638 -1.824 -6.766 1.00 0.00 H ATOM 116 HG2 LYS A 8 -0.526 -3.237 -5.176 1.00 0.00 H ATOM 117 HG3 LYS A 8 0.567 -1.935 -5.643 1.00 0.00 H ATOM 118 HD2 LYS A 8 -0.020 -0.721 -3.516 1.00 0.00 H ATOM 119 HD3 LYS A 8 -1.038 -2.095 -3.049 1.00 0.00 H ATOM 120 HE2 LYS A 8 1.971 -2.170 -3.596 1.00 0.00 H ATOM 121 HE3 LYS A 8 1.212 -2.139 -1.996 1.00 0.00 H ATOM 122 HZ1 LYS A 8 0.169 -4.224 -2.517 1.00 0.00 H ATOM 123 HZ2 LYS A 8 0.911 -4.268 -3.989 1.00 0.00 H ATOM 124 HZ3 LYS A 8 1.812 -4.336 -2.612 1.00 0.00 H ATOM 125 N LEU A 9 0.754 1.171 -5.636 1.00 0.00 N ATOM 126 CA LEU A 9 2.093 1.548 -6.051 1.00 0.00 C ATOM 127 C LEU A 9 2.963 0.291 -6.068 1.00 0.00 C ATOM 128 O LEU A 9 3.456 -0.138 -5.027 1.00 0.00 O ATOM 129 CB LEU A 9 2.641 2.622 -5.102 1.00 0.00 C ATOM 130 CG LEU A 9 4.028 3.152 -5.502 1.00 0.00 C ATOM 131 CD1 LEU A 9 4.024 3.754 -6.912 1.00 0.00 C ATOM 132 CD2 LEU A 9 4.456 4.226 -4.496 1.00 0.00 C ATOM 133 H LEU A 9 0.487 1.374 -4.684 1.00 0.00 H ATOM 134 HA LEU A 9 2.026 1.979 -7.048 1.00 0.00 H ATOM 135 HB2 LEU A 9 1.945 3.458 -5.095 1.00 0.00 H ATOM 136 HB3 LEU A 9 2.692 2.217 -4.090 1.00 0.00 H ATOM 137 HG LEU A 9 4.758 2.343 -5.465 1.00 0.00 H ATOM 138 HD11 LEU A 9 3.187 4.441 -7.023 1.00 0.00 H ATOM 139 HD12 LEU A 9 4.949 4.303 -7.086 1.00 0.00 H ATOM 140 HD13 LEU A 9 3.946 2.965 -7.659 1.00 0.00 H ATOM 141 HD21 LEU A 9 4.469 3.807 -3.490 1.00 0.00 H ATOM 142 HD22 LEU A 9 5.457 4.584 -4.740 1.00 0.00 H ATOM 143 HD23 LEU A 9 3.759 5.065 -4.526 1.00 0.00 H ATOM 144 N THR A 10 3.123 -0.306 -7.253 1.00 0.00 N ATOM 145 CA THR A 10 3.806 -1.575 -7.443 1.00 0.00 C ATOM 146 C THR A 10 5.226 -1.292 -7.923 1.00 0.00 C ATOM 147 O THR A 10 5.411 -0.668 -8.967 1.00 0.00 O ATOM 148 CB THR A 10 3.016 -2.423 -8.448 1.00 0.00 C ATOM 149 OG1 THR A 10 1.709 -2.622 -7.949 1.00 0.00 O ATOM 150 CG2 THR A 10 3.665 -3.793 -8.670 1.00 0.00 C ATOM 151 H THR A 10 2.702 0.118 -8.069 1.00 0.00 H ATOM 152 HA THR A 10 3.839 -2.127 -6.501 1.00 0.00 H ATOM 153 HB THR A 10 2.954 -1.902 -9.405 1.00 0.00 H ATOM 154 HG1 THR A 10 1.281 -1.767 -7.853 1.00 0.00 H ATOM 155 HG21 THR A 10 3.043 -4.382 -9.345 1.00 0.00 H ATOM 156 HG22 THR A 10 4.653 -3.678 -9.117 1.00 0.00 H ATOM 157 HG23 THR A 10 3.758 -4.320 -7.720 1.00 0.00 H ATOM 158 N CYS A 11 6.221 -1.729 -7.140 1.00 0.00 N ATOM 159 CA CYS A 11 7.632 -1.480 -7.398 1.00 0.00 C ATOM 160 C CYS A 11 8.458 -2.724 -7.073 1.00 0.00 C ATOM 161 O CYS A 11 8.039 -3.562 -6.276 1.00 0.00 O ATOM 162 CB CYS A 11 8.085 -0.266 -6.579 1.00 0.00 C ATOM 163 SG CYS A 11 9.498 0.608 -7.297 1.00 0.00 S ATOM 164 H CYS A 11 5.996 -2.250 -6.304 1.00 0.00 H ATOM 165 HA CYS A 11 7.765 -1.255 -8.458 1.00 0.00 H ATOM 166 HB2 CYS A 11 7.258 0.444 -6.541 1.00 0.00 H ATOM 167 HB3 CYS A 11 8.316 -0.561 -5.555 1.00 0.00 H HETATM 168 N NH2 A 12 9.635 -2.849 -7.688 1.00 0.00 N HETATM 169 HN1 NH2 A 12 10.213 -3.655 -7.503 1.00 0.00 H HETATM 170 HN2 NH2 A 12 9.944 -2.139 -8.337 1.00 0.00 H TER 171 NH2 A 12