HETATM 1 C ACE A 22 -8.391 -0.906 9.281 1.00 0.00 C HETATM 2 O ACE A 22 -7.479 -1.685 9.557 1.00 0.00 O HETATM 3 CH3 ACE A 22 -9.816 -1.217 9.718 1.00 0.00 C HETATM 4 H1 ACE A 22 -10.459 -1.292 8.840 1.00 0.00 H HETATM 5 H2 ACE A 22 -9.840 -2.162 10.260 1.00 0.00 H HETATM 6 H3 ACE A 22 -10.182 -0.422 10.367 1.00 0.00 H ATOM 7 N CYS A 23 -8.215 0.233 8.598 1.00 0.00 N ATOM 8 CA CYS A 23 -6.938 0.717 8.088 1.00 0.00 C ATOM 9 C CYS A 23 -6.058 1.199 9.237 1.00 0.00 C ATOM 10 O CYS A 23 -6.079 2.377 9.590 1.00 0.00 O ATOM 11 CB CYS A 23 -7.174 1.803 7.036 1.00 0.00 C ATOM 12 SG CYS A 23 -8.089 1.286 5.555 1.00 0.00 S ATOM 13 H CYS A 23 -9.025 0.809 8.419 1.00 0.00 H ATOM 14 HA CYS A 23 -6.395 -0.073 7.582 1.00 0.00 H ATOM 15 HB2 CYS A 23 -7.727 2.625 7.494 1.00 0.00 H ATOM 16 HB3 CYS A 23 -6.207 2.185 6.708 1.00 0.00 H ATOM 17 N HIS A 24 -5.282 0.269 9.805 1.00 0.00 N ATOM 18 CA HIS A 24 -4.326 0.520 10.871 1.00 0.00 C ATOM 19 C HIS A 24 -2.910 0.448 10.306 1.00 0.00 C ATOM 20 O HIS A 24 -2.654 -0.285 9.352 1.00 0.00 O ATOM 21 CB HIS A 24 -4.520 -0.501 11.998 1.00 0.00 C ATOM 22 CG HIS A 24 -4.216 -1.923 11.597 1.00 0.00 C ATOM 23 ND1 HIS A 24 -5.153 -2.743 10.989 1.00 0.00 N ATOM 24 CD2 HIS A 24 -3.075 -2.682 11.686 1.00 0.00 C ATOM 25 CE1 HIS A 24 -4.560 -3.925 10.761 1.00 0.00 C ATOM 26 NE2 HIS A 24 -3.288 -3.955 11.166 1.00 0.00 N ATOM 27 H HIS A 24 -5.329 -0.675 9.440 1.00 0.00 H ATOM 28 HA HIS A 24 -4.490 1.512 11.294 1.00 0.00 H ATOM 29 HB2 HIS A 24 -3.863 -0.235 12.826 1.00 0.00 H ATOM 30 HB3 HIS A 24 -5.550 -0.447 12.353 1.00 0.00 H ATOM 31 HD1 HIS A 24 -6.101 -2.488 10.738 1.00 0.00 H ATOM 32 HD2 HIS A 24 -2.138 -2.340 12.100 1.00 0.00 H ATOM 33 HE1 HIS A 24 -5.058 -4.763 10.296 1.00 0.00 H ATOM 34 N TRP A 25 -1.989 1.210 10.902 1.00 0.00 N ATOM 35 CA TRP A 25 -0.595 1.214 10.500 1.00 0.00 C ATOM 36 C TRP A 25 0.114 -0.008 11.082 1.00 0.00 C ATOM 37 O TRP A 25 0.259 -0.119 12.298 1.00 0.00 O ATOM 38 CB TRP A 25 0.082 2.506 10.962 1.00 0.00 C ATOM 39 CG TRP A 25 1.538 2.590 10.621 1.00 0.00 C ATOM 40 CD1 TRP A 25 2.560 2.433 11.490 1.00 0.00 C ATOM 41 CD2 TRP A 25 2.155 2.818 9.321 1.00 0.00 C ATOM 42 NE1 TRP A 25 3.764 2.559 10.829 1.00 0.00 N ATOM 43 CE2 TRP A 25 3.570 2.801 9.484 1.00 0.00 C ATOM 44 CE3 TRP A 25 1.661 3.040 8.018 1.00 0.00 C ATOM 45 CZ2 TRP A 25 4.451 3.008 8.411 1.00 0.00 C ATOM 46 CZ3 TRP A 25 2.534 3.270 6.939 1.00 0.00 C ATOM 47 CH2 TRP A 25 3.925 3.256 7.134 1.00 0.00 C ATOM 48 H TRP A 25 -2.257 1.793 11.682 1.00 0.00 H ATOM 49 HA TRP A 25 -0.534 1.191 9.411 1.00 0.00 H ATOM 50 HB2 TRP A 25 -0.422 3.351 10.492 1.00 0.00 H ATOM 51 HB3 TRP A 25 -0.034 2.604 12.043 1.00 0.00 H ATOM 52 HD1 TRP A 25 2.450 2.238 12.547 1.00 0.00 H ATOM 53 HE1 TRP A 25 4.677 2.488 11.253 1.00 0.00 H ATOM 54 HE3 TRP A 25 0.596 3.035 7.854 1.00 0.00 H ATOM 55 HZ2 TRP A 25 5.519 2.988 8.569 1.00 0.00 H ATOM 56 HZ3 TRP A 25 2.131 3.456 5.955 1.00 0.00 H ATOM 57 HH2 TRP A 25 4.589 3.431 6.299 1.00 0.00 H ATOM 58 N ASP A 26 0.572 -0.907 10.206 1.00 0.00 N ATOM 59 CA ASP A 26 1.415 -2.030 10.570 1.00 0.00 C ATOM 60 C ASP A 26 2.869 -1.570 10.477 1.00 0.00 C ATOM 61 O ASP A 26 3.452 -1.547 9.393 1.00 0.00 O ATOM 62 CB ASP A 26 1.128 -3.217 9.646 1.00 0.00 C ATOM 63 CG ASP A 26 2.052 -4.394 9.950 1.00 0.00 C ATOM 64 OD1 ASP A 26 1.724 -5.146 10.892 1.00 0.00 O ATOM 65 OD2 ASP A 26 3.075 -4.515 9.243 1.00 0.00 O ATOM 66 H ASP A 26 0.411 -0.751 9.220 1.00 0.00 H ATOM 67 HA ASP A 26 1.198 -2.353 11.590 1.00 0.00 H ATOM 68 HB2 ASP A 26 0.093 -3.532 9.785 1.00 0.00 H ATOM 69 HB3 ASP A 26 1.260 -2.913 8.609 1.00 0.00 H ATOM 70 N LEU A 27 3.444 -1.202 11.626 1.00 0.00 N ATOM 71 CA LEU A 27 4.819 -0.735 11.749 1.00 0.00 C ATOM 72 C LEU A 27 5.851 -1.834 11.484 1.00 0.00 C ATOM 73 O LEU A 27 7.001 -1.517 11.190 1.00 0.00 O ATOM 74 CB LEU A 27 5.019 -0.072 13.121 1.00 0.00 C ATOM 75 CG LEU A 27 4.866 -1.022 14.327 1.00 0.00 C ATOM 76 CD1 LEU A 27 6.210 -1.616 14.769 1.00 0.00 C ATOM 77 CD2 LEU A 27 4.266 -0.253 15.510 1.00 0.00 C ATOM 78 H LEU A 27 2.885 -1.229 12.468 1.00 0.00 H ATOM 79 HA LEU A 27 4.975 0.039 10.996 1.00 0.00 H ATOM 80 HB2 LEU A 27 6.001 0.402 13.155 1.00 0.00 H ATOM 81 HB3 LEU A 27 4.273 0.718 13.202 1.00 0.00 H ATOM 82 HG LEU A 27 4.183 -1.837 14.083 1.00 0.00 H ATOM 83 HD11 LEU A 27 6.899 -0.818 15.045 1.00 0.00 H ATOM 84 HD12 LEU A 27 6.057 -2.263 15.632 1.00 0.00 H ATOM 85 HD13 LEU A 27 6.658 -2.210 13.974 1.00 0.00 H ATOM 86 HD21 LEU A 27 3.277 0.125 15.245 1.00 0.00 H ATOM 87 HD22 LEU A 27 4.166 -0.915 16.370 1.00 0.00 H ATOM 88 HD23 LEU A 27 4.910 0.585 15.777 1.00 0.00 H ATOM 89 N LEU A 28 5.460 -3.112 11.592 1.00 0.00 N ATOM 90 CA LEU A 28 6.351 -4.246 11.387 1.00 0.00 C ATOM 91 C LEU A 28 6.911 -4.232 9.962 1.00 0.00 C ATOM 92 O LEU A 28 8.125 -4.257 9.775 1.00 0.00 O ATOM 93 CB LEU A 28 5.593 -5.547 11.696 1.00 0.00 C ATOM 94 CG LEU A 28 6.417 -6.825 11.466 1.00 0.00 C ATOM 95 CD1 LEU A 28 7.661 -6.879 12.362 1.00 0.00 C ATOM 96 CD2 LEU A 28 5.534 -8.046 11.750 1.00 0.00 C ATOM 97 H LEU A 28 4.502 -3.312 11.841 1.00 0.00 H ATOM 98 HA LEU A 28 7.178 -4.148 12.091 1.00 0.00 H ATOM 99 HB2 LEU A 28 5.267 -5.519 12.738 1.00 0.00 H ATOM 100 HB3 LEU A 28 4.706 -5.595 11.065 1.00 0.00 H ATOM 101 HG LEU A 28 6.732 -6.879 10.424 1.00 0.00 H ATOM 102 HD11 LEU A 28 7.375 -6.760 13.407 1.00 0.00 H ATOM 103 HD12 LEU A 28 8.160 -7.840 12.238 1.00 0.00 H ATOM 104 HD13 LEU A 28 8.362 -6.092 12.087 1.00 0.00 H ATOM 105 HD21 LEU A 28 6.096 -8.961 11.560 1.00 0.00 H ATOM 106 HD22 LEU A 28 5.206 -8.038 12.790 1.00 0.00 H ATOM 107 HD23 LEU A 28 4.660 -8.029 11.099 1.00 0.00 H ATOM 108 N VAL A 29 6.018 -4.179 8.968 1.00 0.00 N ATOM 109 CA VAL A 29 6.374 -4.114 7.556 1.00 0.00 C ATOM 110 C VAL A 29 6.524 -2.650 7.121 1.00 0.00 C ATOM 111 O VAL A 29 7.309 -2.374 6.216 1.00 0.00 O ATOM 112 CB VAL A 29 5.321 -4.876 6.732 1.00 0.00 C ATOM 113 CG1 VAL A 29 5.556 -4.751 5.221 1.00 0.00 C ATOM 114 CG2 VAL A 29 5.308 -6.362 7.113 1.00 0.00 C ATOM 115 H VAL A 29 5.033 -4.175 9.199 1.00 0.00 H ATOM 116 HA VAL A 29 7.330 -4.612 7.393 1.00 0.00 H ATOM 117 HB VAL A 29 4.343 -4.465 6.960 1.00 0.00 H ATOM 118 HG11 VAL A 29 4.835 -5.370 4.686 1.00 0.00 H ATOM 119 HG12 VAL A 29 5.421 -3.720 4.896 1.00 0.00 H ATOM 120 HG13 VAL A 29 6.564 -5.082 4.970 1.00 0.00 H ATOM 121 HG21 VAL A 29 4.554 -6.885 6.525 1.00 0.00 H ATOM 122 HG22 VAL A 29 6.284 -6.807 6.916 1.00 0.00 H ATOM 123 HG23 VAL A 29 5.066 -6.487 8.169 1.00 0.00 H ATOM 124 N ARG A 30 5.796 -1.732 7.777 1.00 0.00 N ATOM 125 CA ARG A 30 5.817 -0.281 7.595 1.00 0.00 C ATOM 126 C ARG A 30 4.885 0.116 6.450 1.00 0.00 C ATOM 127 O ARG A 30 5.303 0.766 5.494 1.00 0.00 O ATOM 128 CB ARG A 30 7.237 0.291 7.427 1.00 0.00 C ATOM 129 CG ARG A 30 8.181 -0.107 8.574 1.00 0.00 C ATOM 130 CD ARG A 30 9.641 -0.055 8.122 1.00 0.00 C ATOM 131 NE ARG A 30 9.903 -1.098 7.122 1.00 0.00 N ATOM 132 CZ ARG A 30 11.102 -1.366 6.582 1.00 0.00 C ATOM 133 NH1 ARG A 30 12.189 -0.666 6.939 1.00 0.00 N ATOM 134 NH2 ARG A 30 11.209 -2.345 5.675 1.00 0.00 N ATOM 135 H ARG A 30 5.154 -2.062 8.486 1.00 0.00 H ATOM 136 HA ARG A 30 5.411 0.159 8.505 1.00 0.00 H ATOM 137 HB2 ARG A 30 7.647 -0.011 6.465 1.00 0.00 H ATOM 138 HB3 ARG A 30 7.176 1.381 7.410 1.00 0.00 H ATOM 139 HG2 ARG A 30 8.027 0.572 9.414 1.00 0.00 H ATOM 140 HG3 ARG A 30 7.989 -1.123 8.914 1.00 0.00 H ATOM 141 HD2 ARG A 30 9.858 0.928 7.703 1.00 0.00 H ATOM 142 HD3 ARG A 30 10.278 -0.224 8.990 1.00 0.00 H ATOM 143 HE ARG A 30 9.105 -1.643 6.819 1.00 0.00 H ATOM 144 HH11 ARG A 30 12.110 0.072 7.622 1.00 0.00 H ATOM 145 HH12 ARG A 30 13.086 -0.877 6.527 1.00 0.00 H ATOM 146 HH21 ARG A 30 10.391 -2.872 5.403 1.00 0.00 H ATOM 147 HH22 ARG A 30 12.104 -2.558 5.259 1.00 0.00 H ATOM 148 N HIS A 31 3.615 -0.286 6.559 1.00 0.00 N ATOM 149 CA HIS A 31 2.560 0.055 5.613 1.00 0.00 C ATOM 150 C HIS A 31 1.209 0.089 6.323 1.00 0.00 C ATOM 151 O HIS A 31 1.106 -0.283 7.490 1.00 0.00 O ATOM 152 CB HIS A 31 2.552 -0.926 4.432 1.00 0.00 C ATOM 153 CG HIS A 31 2.135 -2.334 4.777 1.00 0.00 C ATOM 154 ND1 HIS A 31 1.461 -3.145 3.877 1.00 0.00 N ATOM 155 CD2 HIS A 31 2.286 -3.102 5.906 1.00 0.00 C ATOM 156 CE1 HIS A 31 1.265 -4.331 4.477 1.00 0.00 C ATOM 157 NE2 HIS A 31 1.747 -4.370 5.719 1.00 0.00 N ATOM 158 H HIS A 31 3.341 -0.800 7.387 1.00 0.00 H ATOM 159 HA HIS A 31 2.752 1.051 5.214 1.00 0.00 H ATOM 160 HB2 HIS A 31 1.867 -0.546 3.674 1.00 0.00 H ATOM 161 HB3 HIS A 31 3.547 -0.956 3.990 1.00 0.00 H ATOM 162 HD1 HIS A 31 1.175 -2.893 2.942 1.00 0.00 H ATOM 163 HD2 HIS A 31 2.773 -2.779 6.812 1.00 0.00 H ATOM 164 HE1 HIS A 31 0.766 -5.163 4.004 1.00 0.00 H ATOM 165 N TRP A 32 0.170 0.518 5.600 1.00 0.00 N ATOM 166 CA TRP A 32 -1.208 0.458 6.062 1.00 0.00 C ATOM 167 C TRP A 32 -1.795 -0.916 5.743 1.00 0.00 C ATOM 168 O TRP A 32 -1.530 -1.474 4.679 1.00 0.00 O ATOM 169 CB TRP A 32 -2.027 1.575 5.411 1.00 0.00 C ATOM 170 CG TRP A 32 -1.676 2.947 5.894 1.00 0.00 C ATOM 171 CD1 TRP A 32 -0.852 3.820 5.274 1.00 0.00 C ATOM 172 CD2 TRP A 32 -2.091 3.600 7.129 1.00 0.00 C ATOM 173 NE1 TRP A 32 -0.727 4.967 6.032 1.00 0.00 N ATOM 174 CE2 TRP A 32 -1.466 4.879 7.196 1.00 0.00 C ATOM 175 CE3 TRP A 32 -2.925 3.235 8.208 1.00 0.00 C ATOM 176 CZ2 TRP A 32 -1.651 5.747 8.281 1.00 0.00 C ATOM 177 CZ3 TRP A 32 -3.115 4.097 9.304 1.00 0.00 C ATOM 178 CH2 TRP A 32 -2.479 5.351 9.343 1.00 0.00 C ATOM 179 H TRP A 32 0.336 0.810 4.648 1.00 0.00 H ATOM 180 HA TRP A 32 -1.237 0.613 7.142 1.00 0.00 H ATOM 181 HB2 TRP A 32 -1.910 1.527 4.328 1.00 0.00 H ATOM 182 HB3 TRP A 32 -3.080 1.409 5.642 1.00 0.00 H ATOM 183 HD1 TRP A 32 -0.352 3.643 4.334 1.00 0.00 H ATOM 184 HE1 TRP A 32 -0.164 5.770 5.793 1.00 0.00 H ATOM 185 HE3 TRP A 32 -3.426 2.279 8.187 1.00 0.00 H ATOM 186 HZ2 TRP A 32 -1.159 6.709 8.302 1.00 0.00 H ATOM 187 HZ3 TRP A 32 -3.752 3.796 10.121 1.00 0.00 H ATOM 188 HH2 TRP A 32 -2.628 6.006 10.188 1.00 0.00 H ATOM 189 N VAL A 33 -2.589 -1.450 6.677 1.00 0.00 N ATOM 190 CA VAL A 33 -3.273 -2.728 6.565 1.00 0.00 C ATOM 191 C VAL A 33 -4.740 -2.492 6.917 1.00 0.00 C ATOM 192 O VAL A 33 -5.051 -2.159 8.059 1.00 0.00 O ATOM 193 CB VAL A 33 -2.618 -3.757 7.502 1.00 0.00 C ATOM 194 CG1 VAL A 33 -3.391 -5.083 7.507 1.00 0.00 C ATOM 195 CG2 VAL A 33 -1.179 -4.039 7.057 1.00 0.00 C ATOM 196 H VAL A 33 -2.740 -0.933 7.534 1.00 0.00 H ATOM 197 HA VAL A 33 -3.213 -3.106 5.543 1.00 0.00 H ATOM 198 HB VAL A 33 -2.594 -3.359 8.517 1.00 0.00 H ATOM 199 HG11 VAL A 33 -2.885 -5.797 8.156 1.00 0.00 H ATOM 200 HG12 VAL A 33 -4.404 -4.939 7.881 1.00 0.00 H ATOM 201 HG13 VAL A 33 -3.438 -5.490 6.497 1.00 0.00 H ATOM 202 HG21 VAL A 33 -0.582 -3.130 7.099 1.00 0.00 H ATOM 203 HG22 VAL A 33 -0.726 -4.783 7.714 1.00 0.00 H ATOM 204 HG23 VAL A 33 -1.178 -4.421 6.036 1.00 0.00 H ATOM 205 N CYS A 34 -5.629 -2.662 5.931 1.00 0.00 N ATOM 206 CA CYS A 34 -7.062 -2.447 6.064 1.00 0.00 C ATOM 207 C CYS A 34 -7.755 -3.791 6.266 1.00 0.00 C ATOM 208 O CYS A 34 -8.219 -4.416 5.316 1.00 0.00 O ATOM 209 CB CYS A 34 -7.587 -1.684 4.844 1.00 0.00 C ATOM 210 SG CYS A 34 -6.865 -0.037 4.563 1.00 0.00 S ATOM 211 H CYS A 34 -5.291 -2.946 5.023 1.00 0.00 H ATOM 212 HA CYS A 34 -7.293 -1.848 6.934 1.00 0.00 H ATOM 213 HB2 CYS A 34 -7.386 -2.278 3.952 1.00 0.00 H ATOM 214 HB3 CYS A 34 -8.668 -1.568 4.935 1.00 0.00 H HETATM 215 N NH2 A 35 -7.821 -4.238 7.523 1.00 0.00 N HETATM 216 HN1 NH2 A 35 -8.265 -5.123 7.719 1.00 0.00 H HETATM 217 HN2 NH2 A 35 -7.430 -3.683 8.273 1.00 0.00 H TER 218 NH2 A 35