HETATM 1 C ACE A 22 -8.456 -0.594 8.969 1.00 0.00 C HETATM 2 O ACE A 22 -7.653 -1.412 9.411 1.00 0.00 O HETATM 3 CH3 ACE A 22 -9.950 -0.791 9.195 1.00 0.00 C HETATM 4 H1 ACE A 22 -10.352 0.058 9.747 1.00 0.00 H HETATM 5 H2 ACE A 22 -10.458 -0.872 8.234 1.00 0.00 H HETATM 6 H3 ACE A 22 -10.122 -1.704 9.767 1.00 0.00 H ATOM 7 N CYS A 23 -8.100 0.495 8.275 1.00 0.00 N ATOM 8 CA CYS A 23 -6.727 0.856 7.946 1.00 0.00 C ATOM 9 C CYS A 23 -5.957 1.225 9.212 1.00 0.00 C ATOM 10 O CYS A 23 -6.066 2.349 9.698 1.00 0.00 O ATOM 11 CB CYS A 23 -6.719 2.000 6.929 1.00 0.00 C ATOM 12 SG CYS A 23 -7.485 1.646 5.321 1.00 0.00 S ATOM 13 H CYS A 23 -8.829 1.113 7.951 1.00 0.00 H ATOM 14 HA CYS A 23 -6.216 0.023 7.475 1.00 0.00 H ATOM 15 HB2 CYS A 23 -7.240 2.858 7.356 1.00 0.00 H ATOM 16 HB3 CYS A 23 -5.685 2.290 6.742 1.00 0.00 H ATOM 17 N HIS A 24 -5.172 0.270 9.726 1.00 0.00 N ATOM 18 CA HIS A 24 -4.285 0.454 10.865 1.00 0.00 C ATOM 19 C HIS A 24 -2.841 0.259 10.408 1.00 0.00 C ATOM 20 O HIS A 24 -2.554 -0.634 9.612 1.00 0.00 O ATOM 21 CB HIS A 24 -4.662 -0.510 11.997 1.00 0.00 C ATOM 22 CG HIS A 24 -4.517 -1.969 11.647 1.00 0.00 C ATOM 23 ND1 HIS A 24 -5.489 -2.669 10.951 1.00 0.00 N ATOM 24 CD2 HIS A 24 -3.516 -2.880 11.888 1.00 0.00 C ATOM 25 CE1 HIS A 24 -5.048 -3.930 10.812 1.00 0.00 C ATOM 26 NE2 HIS A 24 -3.850 -4.126 11.367 1.00 0.00 N ATOM 27 H HIS A 24 -5.154 -0.634 9.269 1.00 0.00 H ATOM 28 HA HIS A 24 -4.389 1.466 11.259 1.00 0.00 H ATOM 29 HB2 HIS A 24 -4.025 -0.300 12.857 1.00 0.00 H ATOM 30 HB3 HIS A 24 -5.696 -0.322 12.288 1.00 0.00 H ATOM 31 HD1 HIS A 24 -6.357 -2.294 10.591 1.00 0.00 H ATOM 32 HD2 HIS A 24 -2.598 -2.660 12.413 1.00 0.00 H ATOM 33 HE1 HIS A 24 -5.605 -4.703 10.304 1.00 0.00 H ATOM 34 N TRP A 25 -1.935 1.107 10.903 1.00 0.00 N ATOM 35 CA TRP A 25 -0.536 1.085 10.519 1.00 0.00 C ATOM 36 C TRP A 25 0.180 -0.092 11.178 1.00 0.00 C ATOM 37 O TRP A 25 0.299 -0.135 12.401 1.00 0.00 O ATOM 38 CB TRP A 25 0.128 2.404 10.917 1.00 0.00 C ATOM 39 CG TRP A 25 1.584 2.501 10.583 1.00 0.00 C ATOM 40 CD1 TRP A 25 2.603 2.436 11.468 1.00 0.00 C ATOM 41 CD2 TRP A 25 2.204 2.687 9.278 1.00 0.00 C ATOM 42 NE1 TRP A 25 3.806 2.600 10.813 1.00 0.00 N ATOM 43 CE2 TRP A 25 3.616 2.771 9.457 1.00 0.00 C ATOM 44 CE3 TRP A 25 1.718 2.804 7.959 1.00 0.00 C ATOM 45 CZ2 TRP A 25 4.496 2.990 8.387 1.00 0.00 C ATOM 46 CZ3 TRP A 25 2.590 3.029 6.878 1.00 0.00 C ATOM 47 CH2 TRP A 25 3.976 3.126 7.091 1.00 0.00 C ATOM 48 H TRP A 25 -2.231 1.813 11.562 1.00 0.00 H ATOM 49 HA TRP A 25 -0.467 0.997 9.434 1.00 0.00 H ATOM 50 HB2 TRP A 25 -0.382 3.217 10.401 1.00 0.00 H ATOM 51 HB3 TRP A 25 0.002 2.558 11.991 1.00 0.00 H ATOM 52 HD1 TRP A 25 2.494 2.299 12.535 1.00 0.00 H ATOM 53 HE1 TRP A 25 4.716 2.605 11.248 1.00 0.00 H ATOM 54 HE3 TRP A 25 0.658 2.719 7.782 1.00 0.00 H ATOM 55 HZ2 TRP A 25 5.558 3.058 8.563 1.00 0.00 H ATOM 56 HZ3 TRP A 25 2.192 3.131 5.880 1.00 0.00 H ATOM 57 HH2 TRP A 25 4.640 3.301 6.256 1.00 0.00 H ATOM 58 N ASP A 26 0.678 -1.025 10.361 1.00 0.00 N ATOM 59 CA ASP A 26 1.561 -2.086 10.812 1.00 0.00 C ATOM 60 C ASP A 26 2.994 -1.572 10.696 1.00 0.00 C ATOM 61 O ASP A 26 3.541 -1.504 9.597 1.00 0.00 O ATOM 62 CB ASP A 26 1.345 -3.346 9.970 1.00 0.00 C ATOM 63 CG ASP A 26 2.381 -4.416 10.302 1.00 0.00 C ATOM 64 OD1 ASP A 26 2.281 -4.985 11.410 1.00 0.00 O ATOM 65 OD2 ASP A 26 3.264 -4.635 9.446 1.00 0.00 O ATOM 66 H ASP A 26 0.529 -0.932 9.365 1.00 0.00 H ATOM 67 HA ASP A 26 1.346 -2.347 11.850 1.00 0.00 H ATOM 68 HB2 ASP A 26 0.347 -3.741 10.165 1.00 0.00 H ATOM 69 HB3 ASP A 26 1.422 -3.091 8.916 1.00 0.00 H ATOM 70 N LEU A 27 3.589 -1.215 11.838 1.00 0.00 N ATOM 71 CA LEU A 27 4.944 -0.689 11.942 1.00 0.00 C ATOM 72 C LEU A 27 6.001 -1.727 11.545 1.00 0.00 C ATOM 73 O LEU A 27 7.097 -1.348 11.141 1.00 0.00 O ATOM 74 CB LEU A 27 5.154 -0.187 13.380 1.00 0.00 C ATOM 75 CG LEU A 27 6.532 0.439 13.664 1.00 0.00 C ATOM 76 CD1 LEU A 27 6.798 1.680 12.802 1.00 0.00 C ATOM 77 CD2 LEU A 27 6.605 0.835 15.143 1.00 0.00 C ATOM 78 H LEU A 27 3.059 -1.295 12.695 1.00 0.00 H ATOM 79 HA LEU A 27 5.023 0.154 11.258 1.00 0.00 H ATOM 80 HB2 LEU A 27 4.385 0.556 13.601 1.00 0.00 H ATOM 81 HB3 LEU A 27 5.017 -1.030 14.057 1.00 0.00 H ATOM 82 HG LEU A 27 7.319 -0.294 13.484 1.00 0.00 H ATOM 83 HD11 LEU A 27 6.841 1.412 11.747 1.00 0.00 H ATOM 84 HD12 LEU A 27 6.011 2.418 12.958 1.00 0.00 H ATOM 85 HD13 LEU A 27 7.756 2.118 13.081 1.00 0.00 H ATOM 86 HD21 LEU A 27 5.840 1.579 15.371 1.00 0.00 H ATOM 87 HD22 LEU A 27 6.447 -0.044 15.769 1.00 0.00 H ATOM 88 HD23 LEU A 27 7.587 1.252 15.366 1.00 0.00 H ATOM 89 N LEU A 28 5.691 -3.025 11.659 1.00 0.00 N ATOM 90 CA LEU A 28 6.631 -4.100 11.364 1.00 0.00 C ATOM 91 C LEU A 28 7.077 -4.044 9.901 1.00 0.00 C ATOM 92 O LEU A 28 8.272 -3.959 9.623 1.00 0.00 O ATOM 93 CB LEU A 28 6.008 -5.464 11.701 1.00 0.00 C ATOM 94 CG LEU A 28 5.494 -5.590 13.146 1.00 0.00 C ATOM 95 CD1 LEU A 28 4.883 -6.983 13.338 1.00 0.00 C ATOM 96 CD2 LEU A 28 6.610 -5.377 14.177 1.00 0.00 C ATOM 97 H LEU A 28 4.769 -3.281 11.982 1.00 0.00 H ATOM 98 HA LEU A 28 7.517 -3.962 11.983 1.00 0.00 H ATOM 99 HB2 LEU A 28 5.171 -5.649 11.028 1.00 0.00 H ATOM 100 HB3 LEU A 28 6.759 -6.236 11.525 1.00 0.00 H ATOM 101 HG LEU A 28 4.708 -4.858 13.326 1.00 0.00 H ATOM 102 HD11 LEU A 28 5.642 -7.750 13.185 1.00 0.00 H ATOM 103 HD12 LEU A 28 4.482 -7.075 14.348 1.00 0.00 H ATOM 104 HD13 LEU A 28 4.072 -7.132 12.624 1.00 0.00 H ATOM 105 HD21 LEU A 28 6.961 -4.347 14.149 1.00 0.00 H ATOM 106 HD22 LEU A 28 6.226 -5.579 15.178 1.00 0.00 H ATOM 107 HD23 LEU A 28 7.442 -6.050 13.973 1.00 0.00 H ATOM 108 N VAL A 29 6.114 -4.081 8.973 1.00 0.00 N ATOM 109 CA VAL A 29 6.357 -4.030 7.535 1.00 0.00 C ATOM 110 C VAL A 29 6.368 -2.577 7.044 1.00 0.00 C ATOM 111 O VAL A 29 6.984 -2.290 6.021 1.00 0.00 O ATOM 112 CB VAL A 29 5.298 -4.875 6.806 1.00 0.00 C ATOM 113 CG1 VAL A 29 5.510 -4.874 5.286 1.00 0.00 C ATOM 114 CG2 VAL A 29 5.320 -6.331 7.294 1.00 0.00 C ATOM 115 H VAL A 29 5.151 -4.154 9.277 1.00 0.00 H ATOM 116 HA VAL A 29 7.329 -4.471 7.315 1.00 0.00 H ATOM 117 HB VAL A 29 4.320 -4.452 7.017 1.00 0.00 H ATOM 118 HG11 VAL A 29 6.533 -5.167 5.050 1.00 0.00 H ATOM 119 HG12 VAL A 29 4.824 -5.578 4.815 1.00 0.00 H ATOM 120 HG13 VAL A 29 5.311 -3.884 4.873 1.00 0.00 H ATOM 121 HG21 VAL A 29 4.565 -6.909 6.762 1.00 0.00 H ATOM 122 HG22 VAL A 29 6.301 -6.770 7.107 1.00 0.00 H ATOM 123 HG23 VAL A 29 5.103 -6.389 8.360 1.00 0.00 H ATOM 124 N ARG A 30 5.697 -1.671 7.772 1.00 0.00 N ATOM 125 CA ARG A 30 5.576 -0.248 7.478 1.00 0.00 C ATOM 126 C ARG A 30 4.616 -0.033 6.311 1.00 0.00 C ATOM 127 O ARG A 30 4.990 0.516 5.277 1.00 0.00 O ATOM 128 CB ARG A 30 6.942 0.440 7.297 1.00 0.00 C ATOM 129 CG ARG A 30 7.769 0.289 8.577 1.00 0.00 C ATOM 130 CD ARG A 30 9.140 0.958 8.465 1.00 0.00 C ATOM 131 NE ARG A 30 9.841 0.938 9.756 1.00 0.00 N ATOM 132 CZ ARG A 30 10.361 -0.152 10.348 1.00 0.00 C ATOM 133 NH1 ARG A 30 10.324 -1.352 9.752 1.00 0.00 N ATOM 134 NH2 ARG A 30 10.925 -0.036 11.557 1.00 0.00 N ATOM 135 H ARG A 30 5.199 -1.989 8.593 1.00 0.00 H ATOM 136 HA ARG A 30 5.111 0.213 8.348 1.00 0.00 H ATOM 137 HB2 ARG A 30 7.492 0.034 6.449 1.00 0.00 H ATOM 138 HB3 ARG A 30 6.781 1.503 7.113 1.00 0.00 H ATOM 139 HG2 ARG A 30 7.221 0.743 9.402 1.00 0.00 H ATOM 140 HG3 ARG A 30 7.911 -0.770 8.784 1.00 0.00 H ATOM 141 HD2 ARG A 30 9.738 0.457 7.703 1.00 0.00 H ATOM 142 HD3 ARG A 30 9.004 1.999 8.170 1.00 0.00 H ATOM 143 HE ARG A 30 9.909 1.821 10.241 1.00 0.00 H ATOM 144 HH11 ARG A 30 9.900 -1.453 8.840 1.00 0.00 H ATOM 145 HH12 ARG A 30 10.703 -2.164 10.216 1.00 0.00 H ATOM 146 HH21 ARG A 30 10.957 0.861 12.018 1.00 0.00 H ATOM 147 HH22 ARG A 30 11.315 -0.848 12.013 1.00 0.00 H ATOM 148 N HIS A 31 3.364 -0.466 6.503 1.00 0.00 N ATOM 149 CA HIS A 31 2.267 -0.232 5.575 1.00 0.00 C ATOM 150 C HIS A 31 0.937 -0.172 6.324 1.00 0.00 C ATOM 151 O HIS A 31 0.833 -0.639 7.459 1.00 0.00 O ATOM 152 CB HIS A 31 2.252 -1.287 4.458 1.00 0.00 C ATOM 153 CG HIS A 31 2.124 -2.729 4.893 1.00 0.00 C ATOM 154 ND1 HIS A 31 1.781 -3.115 6.181 1.00 0.00 N ATOM 155 CD2 HIS A 31 2.269 -3.905 4.197 1.00 0.00 C ATOM 156 CE1 HIS A 31 1.738 -4.457 6.202 1.00 0.00 C ATOM 157 NE2 HIS A 31 2.025 -5.001 5.019 1.00 0.00 N ATOM 158 H HIS A 31 3.138 -0.911 7.384 1.00 0.00 H ATOM 159 HA HIS A 31 2.414 0.739 5.103 1.00 0.00 H ATOM 160 HB2 HIS A 31 1.423 -1.070 3.785 1.00 0.00 H ATOM 161 HB3 HIS A 31 3.172 -1.186 3.885 1.00 0.00 H ATOM 162 HD1 HIS A 31 1.590 -2.495 6.956 1.00 0.00 H ATOM 163 HD2 HIS A 31 2.528 -3.970 3.151 1.00 0.00 H ATOM 164 HE1 HIS A 31 1.498 -5.035 7.082 1.00 0.00 H ATOM 165 N TRP A 32 -0.079 0.393 5.666 1.00 0.00 N ATOM 166 CA TRP A 32 -1.443 0.445 6.168 1.00 0.00 C ATOM 167 C TRP A 32 -2.156 -0.862 5.830 1.00 0.00 C ATOM 168 O TRP A 32 -2.307 -1.200 4.658 1.00 0.00 O ATOM 169 CB TRP A 32 -2.175 1.646 5.563 1.00 0.00 C ATOM 170 CG TRP A 32 -1.713 2.971 6.083 1.00 0.00 C ATOM 171 CD1 TRP A 32 -0.842 3.806 5.475 1.00 0.00 C ATOM 172 CD2 TRP A 32 -2.057 3.608 7.348 1.00 0.00 C ATOM 173 NE1 TRP A 32 -0.620 4.913 6.269 1.00 0.00 N ATOM 174 CE2 TRP A 32 -1.345 4.839 7.442 1.00 0.00 C ATOM 175 CE3 TRP A 32 -2.895 3.266 8.430 1.00 0.00 C ATOM 176 CZ2 TRP A 32 -1.457 5.685 8.555 1.00 0.00 C ATOM 177 CZ3 TRP A 32 -3.022 4.111 9.548 1.00 0.00 C ATOM 178 CH2 TRP A 32 -2.304 5.318 9.613 1.00 0.00 C ATOM 179 H TRP A 32 0.093 0.742 4.734 1.00 0.00 H ATOM 180 HA TRP A 32 -1.431 0.579 7.250 1.00 0.00 H ATOM 181 HB2 TRP A 32 -2.075 1.627 4.476 1.00 0.00 H ATOM 182 HB3 TRP A 32 -3.235 1.557 5.803 1.00 0.00 H ATOM 183 HD1 TRP A 32 -0.374 3.626 4.518 1.00 0.00 H ATOM 184 HE1 TRP A 32 -0.006 5.682 6.045 1.00 0.00 H ATOM 185 HE3 TRP A 32 -3.446 2.340 8.395 1.00 0.00 H ATOM 186 HZ2 TRP A 32 -0.900 6.610 8.597 1.00 0.00 H ATOM 187 HZ3 TRP A 32 -3.673 3.831 10.362 1.00 0.00 H ATOM 188 HH2 TRP A 32 -2.402 5.960 10.475 1.00 0.00 H ATOM 189 N VAL A 33 -2.595 -1.584 6.866 1.00 0.00 N ATOM 190 CA VAL A 33 -3.315 -2.839 6.748 1.00 0.00 C ATOM 191 C VAL A 33 -4.798 -2.526 6.924 1.00 0.00 C ATOM 192 O VAL A 33 -5.246 -2.264 8.038 1.00 0.00 O ATOM 193 CB VAL A 33 -2.805 -3.833 7.805 1.00 0.00 C ATOM 194 CG1 VAL A 33 -3.574 -5.159 7.734 1.00 0.00 C ATOM 195 CG2 VAL A 33 -1.315 -4.119 7.593 1.00 0.00 C ATOM 196 H VAL A 33 -2.436 -1.236 7.802 1.00 0.00 H ATOM 197 HA VAL A 33 -3.150 -3.285 5.765 1.00 0.00 H ATOM 198 HB VAL A 33 -2.932 -3.404 8.799 1.00 0.00 H ATOM 199 HG11 VAL A 33 -4.633 -5.003 7.934 1.00 0.00 H ATOM 200 HG12 VAL A 33 -3.461 -5.603 6.745 1.00 0.00 H ATOM 201 HG13 VAL A 33 -3.182 -5.851 8.481 1.00 0.00 H ATOM 202 HG21 VAL A 33 -0.973 -4.854 8.322 1.00 0.00 H ATOM 203 HG22 VAL A 33 -1.153 -4.511 6.589 1.00 0.00 H ATOM 204 HG23 VAL A 33 -0.734 -3.206 7.721 1.00 0.00 H ATOM 205 N CYS A 34 -5.547 -2.548 5.816 1.00 0.00 N ATOM 206 CA CYS A 34 -6.962 -2.209 5.771 1.00 0.00 C ATOM 207 C CYS A 34 -7.785 -3.494 5.774 1.00 0.00 C ATOM 208 O CYS A 34 -8.338 -3.900 4.755 1.00 0.00 O ATOM 209 CB CYS A 34 -7.236 -1.332 4.543 1.00 0.00 C ATOM 210 SG CYS A 34 -6.294 0.220 4.438 1.00 0.00 S ATOM 211 H CYS A 34 -5.102 -2.778 4.939 1.00 0.00 H ATOM 212 HA CYS A 34 -7.262 -1.644 6.647 1.00 0.00 H ATOM 213 HB2 CYS A 34 -6.994 -1.907 3.649 1.00 0.00 H ATOM 214 HB3 CYS A 34 -8.299 -1.088 4.510 1.00 0.00 H HETATM 215 N NH2 A 35 -7.862 -4.141 6.939 1.00 0.00 N HETATM 216 HN1 NH2 A 35 -8.392 -4.998 7.004 1.00 0.00 H HETATM 217 HN2 NH2 A 35 -7.389 -3.767 7.749 1.00 0.00 H TER 218 NH2 A 35