HETATM 1 C ACE A 22 -8.942 1.695 8.302 1.00 0.00 C HETATM 2 O ACE A 22 -9.153 0.906 9.222 1.00 0.00 O HETATM 3 CH3 ACE A 22 -9.996 2.722 7.910 1.00 0.00 C HETATM 4 H1 ACE A 22 -9.588 3.727 8.027 1.00 0.00 H HETATM 5 H2 ACE A 22 -10.289 2.568 6.871 1.00 0.00 H HETATM 6 H3 ACE A 22 -10.873 2.616 8.549 1.00 0.00 H ATOM 7 N CYS A 23 -7.806 1.707 7.597 1.00 0.00 N ATOM 8 CA CYS A 23 -6.701 0.790 7.844 1.00 0.00 C ATOM 9 C CYS A 23 -5.919 1.223 9.085 1.00 0.00 C ATOM 10 O CYS A 23 -5.908 2.402 9.434 1.00 0.00 O ATOM 11 CB CYS A 23 -5.768 0.752 6.628 1.00 0.00 C ATOM 12 SG CYS A 23 -6.436 0.178 5.037 1.00 0.00 S ATOM 13 H CYS A 23 -7.696 2.385 6.857 1.00 0.00 H ATOM 14 HA CYS A 23 -7.095 -0.210 8.021 1.00 0.00 H ATOM 15 HB2 CYS A 23 -5.384 1.760 6.466 1.00 0.00 H ATOM 16 HB3 CYS A 23 -4.918 0.120 6.870 1.00 0.00 H ATOM 17 N HIS A 24 -5.251 0.260 9.730 1.00 0.00 N ATOM 18 CA HIS A 24 -4.313 0.500 10.817 1.00 0.00 C ATOM 19 C HIS A 24 -2.892 0.442 10.260 1.00 0.00 C ATOM 20 O HIS A 24 -2.632 -0.279 9.297 1.00 0.00 O ATOM 21 CB HIS A 24 -4.514 -0.529 11.936 1.00 0.00 C ATOM 22 CG HIS A 24 -4.153 -1.943 11.552 1.00 0.00 C ATOM 23 ND1 HIS A 24 -5.092 -2.862 11.113 1.00 0.00 N ATOM 24 CD2 HIS A 24 -2.953 -2.615 11.535 1.00 0.00 C ATOM 25 CE1 HIS A 24 -4.436 -4.005 10.848 1.00 0.00 C ATOM 26 NE2 HIS A 24 -3.128 -3.923 11.092 1.00 0.00 N ATOM 27 H HIS A 24 -5.307 -0.686 9.375 1.00 0.00 H ATOM 28 HA HIS A 24 -4.486 1.488 11.248 1.00 0.00 H ATOM 29 HB2 HIS A 24 -3.889 -0.244 12.783 1.00 0.00 H ATOM 30 HB3 HIS A 24 -5.554 -0.502 12.262 1.00 0.00 H ATOM 31 HD1 HIS A 24 -6.082 -2.699 11.002 1.00 0.00 H ATOM 32 HD2 HIS A 24 -2.004 -2.188 11.823 1.00 0.00 H ATOM 33 HE1 HIS A 24 -4.920 -4.899 10.483 1.00 0.00 H ATOM 34 N TRP A 25 -1.972 1.198 10.864 1.00 0.00 N ATOM 35 CA TRP A 25 -0.581 1.211 10.450 1.00 0.00 C ATOM 36 C TRP A 25 0.144 0.007 11.051 1.00 0.00 C ATOM 37 O TRP A 25 0.256 -0.103 12.271 1.00 0.00 O ATOM 38 CB TRP A 25 0.080 2.521 10.879 1.00 0.00 C ATOM 39 CG TRP A 25 1.498 2.673 10.425 1.00 0.00 C ATOM 40 CD1 TRP A 25 2.593 2.569 11.208 1.00 0.00 C ATOM 41 CD2 TRP A 25 1.995 2.957 9.084 1.00 0.00 C ATOM 42 NE1 TRP A 25 3.731 2.793 10.459 1.00 0.00 N ATOM 43 CE2 TRP A 25 3.416 3.052 9.141 1.00 0.00 C ATOM 44 CE3 TRP A 25 1.388 3.156 7.827 1.00 0.00 C ATOM 45 CZ2 TRP A 25 4.190 3.357 8.012 1.00 0.00 C ATOM 46 CZ3 TRP A 25 2.154 3.463 6.689 1.00 0.00 C ATOM 47 CH2 TRP A 25 3.553 3.568 6.779 1.00 0.00 C ATOM 48 H TRP A 25 -2.238 1.771 11.652 1.00 0.00 H ATOM 49 HA TRP A 25 -0.530 1.167 9.361 1.00 0.00 H ATOM 50 HB2 TRP A 25 -0.490 3.350 10.459 1.00 0.00 H ATOM 51 HB3 TRP A 25 0.041 2.606 11.967 1.00 0.00 H ATOM 52 HD1 TRP A 25 2.577 2.362 12.268 1.00 0.00 H ATOM 53 HE1 TRP A 25 4.676 2.785 10.810 1.00 0.00 H ATOM 54 HE3 TRP A 25 0.318 3.067 7.744 1.00 0.00 H ATOM 55 HZ2 TRP A 25 5.263 3.440 8.094 1.00 0.00 H ATOM 56 HZ3 TRP A 25 1.667 3.617 5.737 1.00 0.00 H ATOM 57 HH2 TRP A 25 4.137 3.804 5.902 1.00 0.00 H ATOM 58 N ASP A 26 0.645 -0.881 10.188 1.00 0.00 N ATOM 59 CA ASP A 26 1.421 -2.042 10.582 1.00 0.00 C ATOM 60 C ASP A 26 2.895 -1.642 10.627 1.00 0.00 C ATOM 61 O ASP A 26 3.517 -1.448 9.584 1.00 0.00 O ATOM 62 CB ASP A 26 1.176 -3.180 9.586 1.00 0.00 C ATOM 63 CG ASP A 26 2.116 -4.355 9.828 1.00 0.00 C ATOM 64 OD1 ASP A 26 1.837 -5.125 10.773 1.00 0.00 O ATOM 65 OD2 ASP A 26 3.103 -4.456 9.068 1.00 0.00 O ATOM 66 H ASP A 26 0.519 -0.721 9.197 1.00 0.00 H ATOM 67 HA ASP A 26 1.104 -2.395 11.566 1.00 0.00 H ATOM 68 HB2 ASP A 26 0.143 -3.518 9.677 1.00 0.00 H ATOM 69 HB3 ASP A 26 1.333 -2.812 8.575 1.00 0.00 H ATOM 70 N LEU A 27 3.441 -1.526 11.842 1.00 0.00 N ATOM 71 CA LEU A 27 4.823 -1.140 12.107 1.00 0.00 C ATOM 72 C LEU A 27 5.829 -2.202 11.648 1.00 0.00 C ATOM 73 O LEU A 27 6.990 -1.870 11.426 1.00 0.00 O ATOM 74 CB LEU A 27 4.994 -0.895 13.614 1.00 0.00 C ATOM 75 CG LEU A 27 4.230 0.337 14.127 1.00 0.00 C ATOM 76 CD1 LEU A 27 4.075 0.247 15.649 1.00 0.00 C ATOM 77 CD2 LEU A 27 4.976 1.632 13.781 1.00 0.00 C ATOM 78 H LEU A 27 2.851 -1.697 12.644 1.00 0.00 H ATOM 79 HA LEU A 27 5.042 -0.222 11.563 1.00 0.00 H ATOM 80 HB2 LEU A 27 4.640 -1.783 14.140 1.00 0.00 H ATOM 81 HB3 LEU A 27 6.053 -0.767 13.845 1.00 0.00 H ATOM 82 HG LEU A 27 3.232 0.366 13.689 1.00 0.00 H ATOM 83 HD11 LEU A 27 3.543 1.125 16.018 1.00 0.00 H ATOM 84 HD12 LEU A 27 3.504 -0.644 15.913 1.00 0.00 H ATOM 85 HD13 LEU A 27 5.055 0.197 16.124 1.00 0.00 H ATOM 86 HD21 LEU A 27 5.957 1.637 14.257 1.00 0.00 H ATOM 87 HD22 LEU A 27 5.107 1.722 12.705 1.00 0.00 H ATOM 88 HD23 LEU A 27 4.405 2.490 14.138 1.00 0.00 H ATOM 89 N LEU A 28 5.405 -3.466 11.522 1.00 0.00 N ATOM 90 CA LEU A 28 6.286 -4.575 11.174 1.00 0.00 C ATOM 91 C LEU A 28 6.871 -4.386 9.773 1.00 0.00 C ATOM 92 O LEU A 28 8.061 -4.621 9.569 1.00 0.00 O ATOM 93 CB LEU A 28 5.532 -5.911 11.270 1.00 0.00 C ATOM 94 CG LEU A 28 5.322 -6.424 12.706 1.00 0.00 C ATOM 95 CD1 LEU A 28 4.455 -5.498 13.569 1.00 0.00 C ATOM 96 CD2 LEU A 28 4.658 -7.805 12.641 1.00 0.00 C ATOM 97 H LEU A 28 4.437 -3.680 11.708 1.00 0.00 H ATOM 98 HA LEU A 28 7.115 -4.603 11.883 1.00 0.00 H ATOM 99 HB2 LEU A 28 4.572 -5.832 10.762 1.00 0.00 H ATOM 100 HB3 LEU A 28 6.126 -6.662 10.746 1.00 0.00 H ATOM 101 HG LEU A 28 6.293 -6.538 13.188 1.00 0.00 H ATOM 102 HD11 LEU A 28 4.992 -4.579 13.799 1.00 0.00 H ATOM 103 HD12 LEU A 28 3.525 -5.260 13.052 1.00 0.00 H ATOM 104 HD13 LEU A 28 4.218 -5.991 14.512 1.00 0.00 H ATOM 105 HD21 LEU A 28 4.543 -8.210 13.648 1.00 0.00 H ATOM 106 HD22 LEU A 28 3.675 -7.725 12.175 1.00 0.00 H ATOM 107 HD23 LEU A 28 5.277 -8.488 12.059 1.00 0.00 H ATOM 108 N VAL A 29 6.032 -3.963 8.818 1.00 0.00 N ATOM 109 CA VAL A 29 6.403 -3.727 7.427 1.00 0.00 C ATOM 110 C VAL A 29 6.481 -2.223 7.123 1.00 0.00 C ATOM 111 O VAL A 29 7.167 -1.840 6.177 1.00 0.00 O ATOM 112 CB VAL A 29 5.397 -4.443 6.509 1.00 0.00 C ATOM 113 CG1 VAL A 29 5.740 -4.263 5.024 1.00 0.00 C ATOM 114 CG2 VAL A 29 5.342 -5.946 6.815 1.00 0.00 C ATOM 115 H VAL A 29 5.062 -3.822 9.064 1.00 0.00 H ATOM 116 HA VAL A 29 7.383 -4.156 7.224 1.00 0.00 H ATOM 117 HB VAL A 29 4.415 -4.017 6.691 1.00 0.00 H ATOM 118 HG11 VAL A 29 6.777 -4.546 4.841 1.00 0.00 H ATOM 119 HG12 VAL A 29 5.093 -4.893 4.414 1.00 0.00 H ATOM 120 HG13 VAL A 29 5.587 -3.229 4.718 1.00 0.00 H ATOM 121 HG21 VAL A 29 5.013 -6.125 7.838 1.00 0.00 H ATOM 122 HG22 VAL A 29 4.634 -6.433 6.143 1.00 0.00 H ATOM 123 HG23 VAL A 29 6.328 -6.391 6.675 1.00 0.00 H ATOM 124 N ARG A 30 5.783 -1.387 7.907 1.00 0.00 N ATOM 125 CA ARG A 30 5.641 0.058 7.724 1.00 0.00 C ATOM 126 C ARG A 30 4.753 0.341 6.512 1.00 0.00 C ATOM 127 O ARG A 30 5.175 0.996 5.562 1.00 0.00 O ATOM 128 CB ARG A 30 6.997 0.786 7.673 1.00 0.00 C ATOM 129 CG ARG A 30 7.755 0.650 9.002 1.00 0.00 C ATOM 130 CD ARG A 30 9.272 0.626 8.790 1.00 0.00 C ATOM 131 NE ARG A 30 9.685 -0.549 8.009 1.00 0.00 N ATOM 132 CZ ARG A 30 9.689 -1.817 8.454 1.00 0.00 C ATOM 133 NH1 ARG A 30 9.390 -2.107 9.727 1.00 0.00 N ATOM 134 NH2 ARG A 30 9.988 -2.813 7.610 1.00 0.00 N ATOM 135 H ARG A 30 5.244 -1.782 8.665 1.00 0.00 H ATOM 136 HA ARG A 30 5.113 0.444 8.596 1.00 0.00 H ATOM 137 HB2 ARG A 30 7.595 0.423 6.842 1.00 0.00 H ATOM 138 HB3 ARG A 30 6.829 1.849 7.497 1.00 0.00 H ATOM 139 HG2 ARG A 30 7.491 1.488 9.648 1.00 0.00 H ATOM 140 HG3 ARG A 30 7.460 -0.266 9.509 1.00 0.00 H ATOM 141 HD2 ARG A 30 9.570 1.527 8.252 1.00 0.00 H ATOM 142 HD3 ARG A 30 9.776 0.623 9.756 1.00 0.00 H ATOM 143 HE ARG A 30 9.935 -0.382 7.045 1.00 0.00 H ATOM 144 HH11 ARG A 30 9.146 -1.374 10.377 1.00 0.00 H ATOM 145 HH12 ARG A 30 9.341 -3.073 10.022 1.00 0.00 H ATOM 146 HH21 ARG A 30 10.204 -2.613 6.645 1.00 0.00 H ATOM 147 HH22 ARG A 30 9.972 -3.770 7.936 1.00 0.00 H ATOM 148 N HIS A 31 3.511 -0.156 6.564 1.00 0.00 N ATOM 149 CA HIS A 31 2.473 0.126 5.579 1.00 0.00 C ATOM 150 C HIS A 31 1.092 0.061 6.229 1.00 0.00 C ATOM 151 O HIS A 31 0.950 -0.440 7.344 1.00 0.00 O ATOM 152 CB HIS A 31 2.589 -0.809 4.365 1.00 0.00 C ATOM 153 CG HIS A 31 2.409 -2.286 4.628 1.00 0.00 C ATOM 154 ND1 HIS A 31 2.038 -2.810 5.856 1.00 0.00 N ATOM 155 CD2 HIS A 31 2.530 -3.376 3.798 1.00 0.00 C ATOM 156 CE1 HIS A 31 1.952 -4.143 5.716 1.00 0.00 C ATOM 157 NE2 HIS A 31 2.241 -4.553 4.482 1.00 0.00 N ATOM 158 H HIS A 31 3.239 -0.688 7.380 1.00 0.00 H ATOM 159 HA HIS A 31 2.610 1.144 5.215 1.00 0.00 H ATOM 160 HB2 HIS A 31 1.842 -0.514 3.629 1.00 0.00 H ATOM 161 HB3 HIS A 31 3.568 -0.660 3.911 1.00 0.00 H ATOM 162 HD1 HIS A 31 1.858 -2.280 6.697 1.00 0.00 H ATOM 163 HD2 HIS A 31 2.807 -3.325 2.757 1.00 0.00 H ATOM 164 HE1 HIS A 31 1.690 -4.815 6.521 1.00 0.00 H ATOM 165 N TRP A 32 0.074 0.551 5.516 1.00 0.00 N ATOM 166 CA TRP A 32 -1.317 0.479 5.941 1.00 0.00 C ATOM 167 C TRP A 32 -1.874 -0.921 5.687 1.00 0.00 C ATOM 168 O TRP A 32 -1.594 -1.519 4.648 1.00 0.00 O ATOM 169 CB TRP A 32 -2.138 1.537 5.200 1.00 0.00 C ATOM 170 CG TRP A 32 -1.846 2.946 5.608 1.00 0.00 C ATOM 171 CD1 TRP A 32 -1.158 3.857 4.885 1.00 0.00 C ATOM 172 CD2 TRP A 32 -2.190 3.609 6.860 1.00 0.00 C ATOM 173 NE1 TRP A 32 -1.046 5.034 5.597 1.00 0.00 N ATOM 174 CE2 TRP A 32 -1.659 4.932 6.830 1.00 0.00 C ATOM 175 CE3 TRP A 32 -2.878 3.219 8.028 1.00 0.00 C ATOM 176 CZ2 TRP A 32 -1.803 5.820 7.906 1.00 0.00 C ATOM 177 CZ3 TRP A 32 -3.024 4.100 9.114 1.00 0.00 C ATOM 178 CH2 TRP A 32 -2.488 5.398 9.056 1.00 0.00 C ATOM 179 H TRP A 32 0.271 0.936 4.604 1.00 0.00 H ATOM 180 HA TRP A 32 -1.373 0.694 7.010 1.00 0.00 H ATOM 181 HB2 TRP A 32 -1.981 1.427 4.125 1.00 0.00 H ATOM 182 HB3 TRP A 32 -3.193 1.357 5.400 1.00 0.00 H ATOM 183 HD1 TRP A 32 -0.739 3.686 3.904 1.00 0.00 H ATOM 184 HE1 TRP A 32 -0.572 5.868 5.282 1.00 0.00 H ATOM 185 HE3 TRP A 32 -3.294 2.225 8.085 1.00 0.00 H ATOM 186 HZ2 TRP A 32 -1.388 6.816 7.852 1.00 0.00 H ATOM 187 HZ3 TRP A 32 -3.551 3.777 10.001 1.00 0.00 H ATOM 188 HH2 TRP A 32 -2.605 6.069 9.895 1.00 0.00 H ATOM 189 N VAL A 33 -2.661 -1.433 6.640 1.00 0.00 N ATOM 190 CA VAL A 33 -3.300 -2.739 6.582 1.00 0.00 C ATOM 191 C VAL A 33 -4.738 -2.601 7.083 1.00 0.00 C ATOM 192 O VAL A 33 -4.958 -2.193 8.220 1.00 0.00 O ATOM 193 CB VAL A 33 -2.515 -3.750 7.438 1.00 0.00 C ATOM 194 CG1 VAL A 33 -3.200 -5.123 7.449 1.00 0.00 C ATOM 195 CG2 VAL A 33 -1.087 -3.924 6.915 1.00 0.00 C ATOM 196 H VAL A 33 -2.825 -0.887 7.476 1.00 0.00 H ATOM 197 HA VAL A 33 -3.320 -3.100 5.552 1.00 0.00 H ATOM 198 HB VAL A 33 -2.458 -3.382 8.464 1.00 0.00 H ATOM 199 HG11 VAL A 33 -4.185 -5.060 7.910 1.00 0.00 H ATOM 200 HG12 VAL A 33 -3.305 -5.495 6.429 1.00 0.00 H ATOM 201 HG13 VAL A 33 -2.601 -5.828 8.025 1.00 0.00 H ATOM 202 HG21 VAL A 33 -1.106 -4.232 5.869 1.00 0.00 H ATOM 203 HG22 VAL A 33 -0.538 -2.990 7.007 1.00 0.00 H ATOM 204 HG23 VAL A 33 -0.574 -4.686 7.501 1.00 0.00 H ATOM 205 N CYS A 34 -5.711 -2.965 6.240 1.00 0.00 N ATOM 206 CA CYS A 34 -7.119 -3.036 6.602 1.00 0.00 C ATOM 207 C CYS A 34 -7.438 -4.502 6.892 1.00 0.00 C ATOM 208 O CYS A 34 -7.957 -5.221 6.043 1.00 0.00 O ATOM 209 CB CYS A 34 -7.992 -2.483 5.464 1.00 0.00 C ATOM 210 SG CYS A 34 -8.260 -0.688 5.423 1.00 0.00 S ATOM 211 H CYS A 34 -5.457 -3.271 5.312 1.00 0.00 H ATOM 212 HA CYS A 34 -7.335 -2.458 7.500 1.00 0.00 H ATOM 213 HB2 CYS A 34 -7.594 -2.805 4.502 1.00 0.00 H ATOM 214 HB3 CYS A 34 -8.991 -2.906 5.571 1.00 0.00 H HETATM 215 N NH2 A 35 -7.113 -4.952 8.106 1.00 0.00 N HETATM 216 HN1 NH2 A 35 -7.300 -5.914 8.351 1.00 0.00 H HETATM 217 HN2 NH2 A 35 -6.674 -4.331 8.770 1.00 0.00 H TER 218 NH2 A 35