HETATM 1 C ACE A 22 -8.980 1.689 8.410 1.00 0.00 C HETATM 2 O ACE A 22 -9.200 0.843 9.276 1.00 0.00 O HETATM 3 CH3 ACE A 22 -10.031 2.740 8.075 1.00 0.00 C HETATM 4 H1 ACE A 22 -9.625 3.735 8.260 1.00 0.00 H HETATM 5 H2 ACE A 22 -10.313 2.653 7.026 1.00 0.00 H HETATM 6 H3 ACE A 22 -10.914 2.593 8.697 1.00 0.00 H ATOM 7 N CYS A 23 -7.837 1.747 7.718 1.00 0.00 N ATOM 8 CA CYS A 23 -6.734 0.817 7.917 1.00 0.00 C ATOM 9 C CYS A 23 -5.952 1.186 9.178 1.00 0.00 C ATOM 10 O CYS A 23 -5.933 2.348 9.581 1.00 0.00 O ATOM 11 CB CYS A 23 -5.802 0.837 6.699 1.00 0.00 C ATOM 12 SG CYS A 23 -6.492 0.387 5.077 1.00 0.00 S ATOM 13 H CYS A 23 -7.720 2.472 7.026 1.00 0.00 H ATOM 14 HA CYS A 23 -7.129 -0.190 8.044 1.00 0.00 H ATOM 15 HB2 CYS A 23 -5.397 1.845 6.601 1.00 0.00 H ATOM 16 HB3 CYS A 23 -4.966 0.172 6.894 1.00 0.00 H ATOM 17 N HIS A 24 -5.293 0.190 9.783 1.00 0.00 N ATOM 18 CA HIS A 24 -4.365 0.376 10.891 1.00 0.00 C ATOM 19 C HIS A 24 -2.938 0.343 10.348 1.00 0.00 C ATOM 20 O HIS A 24 -2.665 -0.337 9.360 1.00 0.00 O ATOM 21 CB HIS A 24 -4.580 -0.706 11.957 1.00 0.00 C ATOM 22 CG HIS A 24 -4.199 -2.098 11.517 1.00 0.00 C ATOM 23 ND1 HIS A 24 -5.118 -2.998 11.000 1.00 0.00 N ATOM 24 CD2 HIS A 24 -2.997 -2.765 11.510 1.00 0.00 C ATOM 25 CE1 HIS A 24 -4.448 -4.125 10.706 1.00 0.00 C ATOM 26 NE2 HIS A 24 -3.150 -4.050 11.001 1.00 0.00 N ATOM 27 H HIS A 24 -5.351 -0.738 9.385 1.00 0.00 H ATOM 28 HA HIS A 24 -4.544 1.342 11.367 1.00 0.00 H ATOM 29 HB2 HIS A 24 -3.974 -0.454 12.828 1.00 0.00 H ATOM 30 HB3 HIS A 24 -5.627 -0.701 12.263 1.00 0.00 H ATOM 31 HD1 HIS A 24 -6.104 -2.833 10.859 1.00 0.00 H ATOM 32 HD2 HIS A 24 -2.060 -2.349 11.850 1.00 0.00 H ATOM 33 HE1 HIS A 24 -4.915 -5.001 10.281 1.00 0.00 H ATOM 34 N TRP A 25 -2.027 1.076 10.994 1.00 0.00 N ATOM 35 CA TRP A 25 -0.631 1.104 10.599 1.00 0.00 C ATOM 36 C TRP A 25 0.081 -0.140 11.127 1.00 0.00 C ATOM 37 O TRP A 25 0.228 -0.299 12.338 1.00 0.00 O ATOM 38 CB TRP A 25 0.040 2.374 11.126 1.00 0.00 C ATOM 39 CG TRP A 25 1.492 2.492 10.779 1.00 0.00 C ATOM 40 CD1 TRP A 25 2.523 2.355 11.641 1.00 0.00 C ATOM 41 CD2 TRP A 25 2.095 2.753 9.478 1.00 0.00 C ATOM 42 NE1 TRP A 25 3.718 2.536 10.977 1.00 0.00 N ATOM 43 CE2 TRP A 25 3.511 2.793 9.638 1.00 0.00 C ATOM 44 CE3 TRP A 25 1.591 2.967 8.179 1.00 0.00 C ATOM 45 CZ2 TRP A 25 4.379 3.053 8.567 1.00 0.00 C ATOM 46 CZ3 TRP A 25 2.450 3.245 7.101 1.00 0.00 C ATOM 47 CH2 TRP A 25 3.841 3.293 7.294 1.00 0.00 C ATOM 48 H TRP A 25 -2.304 1.616 11.800 1.00 0.00 H ATOM 49 HA TRP A 25 -0.564 1.131 9.510 1.00 0.00 H ATOM 50 HB2 TRP A 25 -0.474 3.238 10.706 1.00 0.00 H ATOM 51 HB3 TRP A 25 -0.071 2.414 12.211 1.00 0.00 H ATOM 52 HD1 TRP A 25 2.426 2.146 12.697 1.00 0.00 H ATOM 53 HE1 TRP A 25 4.635 2.495 11.396 1.00 0.00 H ATOM 54 HE3 TRP A 25 0.528 2.918 8.014 1.00 0.00 H ATOM 55 HZ2 TRP A 25 5.447 3.080 8.725 1.00 0.00 H ATOM 56 HZ3 TRP A 25 2.039 3.422 6.118 1.00 0.00 H ATOM 57 HH2 TRP A 25 4.496 3.510 6.462 1.00 0.00 H ATOM 58 N ASP A 26 0.543 -1.001 10.215 1.00 0.00 N ATOM 59 CA ASP A 26 1.403 -2.122 10.543 1.00 0.00 C ATOM 60 C ASP A 26 2.848 -1.636 10.457 1.00 0.00 C ATOM 61 O ASP A 26 3.431 -1.578 9.375 1.00 0.00 O ATOM 62 CB ASP A 26 1.133 -3.294 9.594 1.00 0.00 C ATOM 63 CG ASP A 26 2.114 -4.438 9.837 1.00 0.00 C ATOM 64 OD1 ASP A 26 1.886 -5.188 10.810 1.00 0.00 O ATOM 65 OD2 ASP A 26 3.082 -4.535 9.051 1.00 0.00 O ATOM 66 H ASP A 26 0.377 -0.813 9.236 1.00 0.00 H ATOM 67 HA ASP A 26 1.197 -2.478 11.554 1.00 0.00 H ATOM 68 HB2 ASP A 26 0.115 -3.654 9.749 1.00 0.00 H ATOM 69 HB3 ASP A 26 1.227 -2.958 8.565 1.00 0.00 H ATOM 70 N LEU A 27 3.410 -1.288 11.619 1.00 0.00 N ATOM 71 CA LEU A 27 4.781 -0.826 11.781 1.00 0.00 C ATOM 72 C LEU A 27 5.795 -1.907 11.396 1.00 0.00 C ATOM 73 O LEU A 27 6.898 -1.573 10.970 1.00 0.00 O ATOM 74 CB LEU A 27 4.966 -0.374 13.239 1.00 0.00 C ATOM 75 CG LEU A 27 6.367 0.161 13.585 1.00 0.00 C ATOM 76 CD1 LEU A 27 6.724 1.419 12.785 1.00 0.00 C ATOM 77 CD2 LEU A 27 6.421 0.491 15.080 1.00 0.00 C ATOM 78 H LEU A 27 2.843 -1.346 12.453 1.00 0.00 H ATOM 79 HA LEU A 27 4.921 0.030 11.121 1.00 0.00 H ATOM 80 HB2 LEU A 27 4.233 0.404 13.458 1.00 0.00 H ATOM 81 HB3 LEU A 27 4.758 -1.227 13.886 1.00 0.00 H ATOM 82 HG LEU A 27 7.116 -0.607 13.392 1.00 0.00 H ATOM 83 HD11 LEU A 27 7.704 1.780 13.091 1.00 0.00 H ATOM 84 HD12 LEU A 27 6.759 1.200 11.718 1.00 0.00 H ATOM 85 HD13 LEU A 27 5.986 2.200 12.970 1.00 0.00 H ATOM 86 HD21 LEU A 27 5.689 1.263 15.322 1.00 0.00 H ATOM 87 HD22 LEU A 27 6.202 -0.404 15.665 1.00 0.00 H ATOM 88 HD23 LEU A 27 7.416 0.847 15.346 1.00 0.00 H ATOM 89 N LEU A 28 5.435 -3.189 11.549 1.00 0.00 N ATOM 90 CA LEU A 28 6.317 -4.323 11.291 1.00 0.00 C ATOM 91 C LEU A 28 6.907 -4.257 9.879 1.00 0.00 C ATOM 92 O LEU A 28 8.123 -4.333 9.716 1.00 0.00 O ATOM 93 CB LEU A 28 5.570 -5.649 11.506 1.00 0.00 C ATOM 94 CG LEU A 28 4.910 -5.795 12.890 1.00 0.00 C ATOM 95 CD1 LEU A 28 4.216 -7.159 12.967 1.00 0.00 C ATOM 96 CD2 LEU A 28 5.927 -5.677 14.031 1.00 0.00 C ATOM 97 H LEU A 28 4.506 -3.391 11.886 1.00 0.00 H ATOM 98 HA LEU A 28 7.149 -4.274 11.994 1.00 0.00 H ATOM 99 HB2 LEU A 28 4.792 -5.743 10.748 1.00 0.00 H ATOM 100 HB3 LEU A 28 6.279 -6.465 11.367 1.00 0.00 H ATOM 101 HG LEU A 28 4.146 -5.029 13.020 1.00 0.00 H ATOM 102 HD11 LEU A 28 3.477 -7.246 12.170 1.00 0.00 H ATOM 103 HD12 LEU A 28 4.949 -7.960 12.864 1.00 0.00 H ATOM 104 HD13 LEU A 28 3.710 -7.262 13.927 1.00 0.00 H ATOM 105 HD21 LEU A 28 6.329 -4.665 14.078 1.00 0.00 H ATOM 106 HD22 LEU A 28 5.438 -5.894 14.981 1.00 0.00 H ATOM 107 HD23 LEU A 28 6.743 -6.385 13.882 1.00 0.00 H ATOM 108 N VAL A 29 6.044 -4.098 8.870 1.00 0.00 N ATOM 109 CA VAL A 29 6.447 -3.932 7.478 1.00 0.00 C ATOM 110 C VAL A 29 6.650 -2.445 7.170 1.00 0.00 C ATOM 111 O VAL A 29 7.529 -2.113 6.379 1.00 0.00 O ATOM 112 CB VAL A 29 5.393 -4.562 6.553 1.00 0.00 C ATOM 113 CG1 VAL A 29 5.770 -4.392 5.075 1.00 0.00 C ATOM 114 CG2 VAL A 29 5.223 -6.059 6.847 1.00 0.00 C ATOM 115 H VAL A 29 5.054 -4.066 9.075 1.00 0.00 H ATOM 116 HA VAL A 29 7.387 -4.454 7.302 1.00 0.00 H ATOM 117 HB VAL A 29 4.446 -4.059 6.728 1.00 0.00 H ATOM 118 HG11 VAL A 29 6.775 -4.777 4.899 1.00 0.00 H ATOM 119 HG12 VAL A 29 5.068 -4.942 4.448 1.00 0.00 H ATOM 120 HG13 VAL A 29 5.731 -3.342 4.788 1.00 0.00 H ATOM 121 HG21 VAL A 29 4.897 -6.219 7.875 1.00 0.00 H ATOM 122 HG22 VAL A 29 4.469 -6.479 6.180 1.00 0.00 H ATOM 123 HG23 VAL A 29 6.167 -6.579 6.688 1.00 0.00 H ATOM 124 N ARG A 30 5.839 -1.578 7.798 1.00 0.00 N ATOM 125 CA ARG A 30 5.778 -0.126 7.641 1.00 0.00 C ATOM 126 C ARG A 30 4.824 0.219 6.498 1.00 0.00 C ATOM 127 O ARG A 30 5.204 0.899 5.547 1.00 0.00 O ATOM 128 CB ARG A 30 7.157 0.540 7.477 1.00 0.00 C ATOM 129 CG ARG A 30 8.123 0.208 8.626 1.00 0.00 C ATOM 130 CD ARG A 30 9.572 0.450 8.205 1.00 0.00 C ATOM 131 NE ARG A 30 9.974 -0.521 7.180 1.00 0.00 N ATOM 132 CZ ARG A 30 11.195 -0.604 6.630 1.00 0.00 C ATOM 133 NH1 ARG A 30 12.174 0.233 7.004 1.00 0.00 N ATOM 134 NH2 ARG A 30 11.436 -1.534 5.697 1.00 0.00 N ATOM 135 H ARG A 30 5.153 -1.963 8.433 1.00 0.00 H ATOM 136 HA ARG A 30 5.343 0.272 8.558 1.00 0.00 H ATOM 137 HB2 ARG A 30 7.588 0.271 6.515 1.00 0.00 H ATOM 138 HB3 ARG A 30 7.022 1.623 7.464 1.00 0.00 H ATOM 139 HG2 ARG A 30 7.879 0.829 9.488 1.00 0.00 H ATOM 140 HG3 ARG A 30 8.044 -0.837 8.918 1.00 0.00 H ATOM 141 HD2 ARG A 30 9.677 1.466 7.821 1.00 0.00 H ATOM 142 HD3 ARG A 30 10.212 0.328 9.079 1.00 0.00 H ATOM 143 HE ARG A 30 9.259 -1.168 6.867 1.00 0.00 H ATOM 144 HH11 ARG A 30 11.996 0.936 7.706 1.00 0.00 H ATOM 145 HH12 ARG A 30 13.089 0.163 6.584 1.00 0.00 H ATOM 146 HH21 ARG A 30 10.699 -2.164 5.413 1.00 0.00 H ATOM 147 HH22 ARG A 30 12.350 -1.608 5.275 1.00 0.00 H ATOM 148 N HIS A 31 3.575 -0.256 6.597 1.00 0.00 N ATOM 149 CA HIS A 31 2.514 0.056 5.649 1.00 0.00 C ATOM 150 C HIS A 31 1.148 0.017 6.333 1.00 0.00 C ATOM 151 O HIS A 31 1.018 -0.513 7.435 1.00 0.00 O ATOM 152 CB HIS A 31 2.575 -0.870 4.425 1.00 0.00 C ATOM 153 CG HIS A 31 2.401 -2.348 4.688 1.00 0.00 C ATOM 154 ND1 HIS A 31 2.046 -2.872 5.921 1.00 0.00 N ATOM 155 CD2 HIS A 31 2.514 -3.439 3.859 1.00 0.00 C ATOM 156 CE1 HIS A 31 1.953 -4.206 5.782 1.00 0.00 C ATOM 157 NE2 HIS A 31 2.230 -4.615 4.544 1.00 0.00 N ATOM 158 H HIS A 31 3.328 -0.802 7.413 1.00 0.00 H ATOM 159 HA HIS A 31 2.659 1.075 5.288 1.00 0.00 H ATOM 160 HB2 HIS A 31 1.799 -0.568 3.721 1.00 0.00 H ATOM 161 HB3 HIS A 31 3.536 -0.724 3.933 1.00 0.00 H ATOM 162 HD1 HIS A 31 1.878 -2.342 6.765 1.00 0.00 H ATOM 163 HD2 HIS A 31 2.780 -3.389 2.814 1.00 0.00 H ATOM 164 HE1 HIS A 31 1.695 -4.877 6.587 1.00 0.00 H ATOM 165 N TRP A 32 0.133 0.564 5.660 1.00 0.00 N ATOM 166 CA TRP A 32 -1.252 0.514 6.106 1.00 0.00 C ATOM 167 C TRP A 32 -1.866 -0.839 5.747 1.00 0.00 C ATOM 168 O TRP A 32 -1.608 -1.368 4.667 1.00 0.00 O ATOM 169 CB TRP A 32 -2.039 1.662 5.470 1.00 0.00 C ATOM 170 CG TRP A 32 -1.666 3.018 5.984 1.00 0.00 C ATOM 171 CD1 TRP A 32 -0.855 3.906 5.367 1.00 0.00 C ATOM 172 CD2 TRP A 32 -2.044 3.636 7.248 1.00 0.00 C ATOM 173 NE1 TRP A 32 -0.703 5.029 6.156 1.00 0.00 N ATOM 174 CE2 TRP A 32 -1.411 4.910 7.336 1.00 0.00 C ATOM 175 CE3 TRP A 32 -2.846 3.241 8.340 1.00 0.00 C ATOM 176 CZ2 TRP A 32 -1.564 5.747 8.450 1.00 0.00 C ATOM 177 CZ3 TRP A 32 -3.006 4.073 9.463 1.00 0.00 C ATOM 178 CH2 TRP A 32 -2.367 5.323 9.521 1.00 0.00 C ATOM 179 H TRP A 32 0.322 0.973 4.756 1.00 0.00 H ATOM 180 HA TRP A 32 -1.285 0.644 7.189 1.00 0.00 H ATOM 181 HB2 TRP A 32 -1.911 1.635 4.387 1.00 0.00 H ATOM 182 HB3 TRP A 32 -3.097 1.515 5.685 1.00 0.00 H ATOM 183 HD1 TRP A 32 -0.381 3.755 4.408 1.00 0.00 H ATOM 184 HE1 TRP A 32 -0.142 5.836 5.926 1.00 0.00 H ATOM 185 HE3 TRP A 32 -3.343 2.284 8.307 1.00 0.00 H ATOM 186 HZ2 TRP A 32 -1.068 6.706 8.486 1.00 0.00 H ATOM 187 HZ3 TRP A 32 -3.622 3.747 10.289 1.00 0.00 H ATOM 188 HH2 TRP A 32 -2.493 5.956 10.387 1.00 0.00 H ATOM 189 N VAL A 33 -2.669 -1.392 6.664 1.00 0.00 N ATOM 190 CA VAL A 33 -3.330 -2.680 6.524 1.00 0.00 C ATOM 191 C VAL A 33 -4.775 -2.541 7.003 1.00 0.00 C ATOM 192 O VAL A 33 -5.013 -2.184 8.154 1.00 0.00 O ATOM 193 CB VAL A 33 -2.581 -3.746 7.345 1.00 0.00 C ATOM 194 CG1 VAL A 33 -3.293 -5.104 7.280 1.00 0.00 C ATOM 195 CG2 VAL A 33 -1.146 -3.923 6.840 1.00 0.00 C ATOM 196 H VAL A 33 -2.821 -0.897 7.533 1.00 0.00 H ATOM 197 HA VAL A 33 -3.335 -2.991 5.477 1.00 0.00 H ATOM 198 HB VAL A 33 -2.535 -3.426 8.387 1.00 0.00 H ATOM 199 HG11 VAL A 33 -3.381 -5.428 6.242 1.00 0.00 H ATOM 200 HG12 VAL A 33 -2.721 -5.845 7.837 1.00 0.00 H ATOM 201 HG13 VAL A 33 -4.288 -5.041 7.720 1.00 0.00 H ATOM 202 HG21 VAL A 33 -0.654 -4.712 7.409 1.00 0.00 H ATOM 203 HG22 VAL A 33 -1.150 -4.194 5.783 1.00 0.00 H ATOM 204 HG23 VAL A 33 -0.585 -3.001 6.974 1.00 0.00 H ATOM 205 N CYS A 34 -5.734 -2.844 6.121 1.00 0.00 N ATOM 206 CA CYS A 34 -7.150 -2.936 6.450 1.00 0.00 C ATOM 207 C CYS A 34 -7.508 -4.412 6.633 1.00 0.00 C ATOM 208 O CYS A 34 -6.926 -5.284 5.989 1.00 0.00 O ATOM 209 CB CYS A 34 -7.997 -2.318 5.331 1.00 0.00 C ATOM 210 SG CYS A 34 -8.299 -0.531 5.420 1.00 0.00 S ATOM 211 H CYS A 34 -5.462 -3.115 5.188 1.00 0.00 H ATOM 212 HA CYS A 34 -7.372 -2.412 7.380 1.00 0.00 H ATOM 213 HB2 CYS A 34 -7.561 -2.558 4.361 1.00 0.00 H ATOM 214 HB3 CYS A 34 -8.987 -2.775 5.369 1.00 0.00 H HETATM 215 N NH2 A 35 -8.468 -4.697 7.514 1.00 0.00 N HETATM 216 HN1 NH2 A 35 -8.735 -5.660 7.667 1.00 0.00 H HETATM 217 HN2 NH2 A 35 -8.925 -3.956 8.024 1.00 0.00 H TER 218 NH2 A 35