HETATM 1 C ACE A 22 -8.494 -0.529 8.904 1.00 0.00 C HETATM 2 O ACE A 22 -7.710 -1.350 9.374 1.00 0.00 O HETATM 3 CH3 ACE A 22 -9.994 -0.699 9.112 1.00 0.00 C HETATM 4 H1 ACE A 22 -10.391 0.168 9.641 1.00 0.00 H HETATM 5 H2 ACE A 22 -10.489 -0.790 8.145 1.00 0.00 H HETATM 6 H3 ACE A 22 -10.189 -1.596 9.700 1.00 0.00 H ATOM 7 N CYS A 23 -8.112 0.539 8.194 1.00 0.00 N ATOM 8 CA CYS A 23 -6.729 0.872 7.880 1.00 0.00 C ATOM 9 C CYS A 23 -5.971 1.255 9.148 1.00 0.00 C ATOM 10 O CYS A 23 -6.081 2.386 9.618 1.00 0.00 O ATOM 11 CB CYS A 23 -6.688 1.996 6.839 1.00 0.00 C ATOM 12 SG CYS A 23 -7.430 1.619 5.227 1.00 0.00 S ATOM 13 H CYS A 23 -8.824 1.164 7.846 1.00 0.00 H ATOM 14 HA CYS A 23 -6.224 0.022 7.433 1.00 0.00 H ATOM 15 HB2 CYS A 23 -7.202 2.868 7.242 1.00 0.00 H ATOM 16 HB3 CYS A 23 -5.646 2.268 6.665 1.00 0.00 H ATOM 17 N HIS A 24 -5.194 0.305 9.684 1.00 0.00 N ATOM 18 CA HIS A 24 -4.315 0.502 10.827 1.00 0.00 C ATOM 19 C HIS A 24 -2.871 0.276 10.386 1.00 0.00 C ATOM 20 O HIS A 24 -2.585 -0.660 9.640 1.00 0.00 O ATOM 21 CB HIS A 24 -4.717 -0.427 11.979 1.00 0.00 C ATOM 22 CG HIS A 24 -4.606 -1.898 11.664 1.00 0.00 C ATOM 23 ND1 HIS A 24 -5.590 -2.590 10.977 1.00 0.00 N ATOM 24 CD2 HIS A 24 -3.631 -2.827 11.935 1.00 0.00 C ATOM 25 CE1 HIS A 24 -5.181 -3.865 10.872 1.00 0.00 C ATOM 26 NE2 HIS A 24 -3.992 -4.077 11.440 1.00 0.00 N ATOM 27 H HIS A 24 -5.177 -0.607 9.241 1.00 0.00 H ATOM 28 HA HIS A 24 -4.407 1.524 11.196 1.00 0.00 H ATOM 29 HB2 HIS A 24 -4.079 -0.212 12.836 1.00 0.00 H ATOM 30 HB3 HIS A 24 -5.748 -0.209 12.262 1.00 0.00 H ATOM 31 HD1 HIS A 24 -6.446 -2.202 10.601 1.00 0.00 H ATOM 32 HD2 HIS A 24 -2.712 -2.618 12.462 1.00 0.00 H ATOM 33 HE1 HIS A 24 -5.752 -4.635 10.376 1.00 0.00 H ATOM 34 N TRP A 25 -1.962 1.145 10.836 1.00 0.00 N ATOM 35 CA TRP A 25 -0.562 1.097 10.457 1.00 0.00 C ATOM 36 C TRP A 25 0.144 -0.058 11.164 1.00 0.00 C ATOM 37 O TRP A 25 0.168 -0.105 12.394 1.00 0.00 O ATOM 38 CB TRP A 25 0.105 2.430 10.807 1.00 0.00 C ATOM 39 CG TRP A 25 1.556 2.526 10.453 1.00 0.00 C ATOM 40 CD1 TRP A 25 2.586 2.477 11.327 1.00 0.00 C ATOM 41 CD2 TRP A 25 2.160 2.716 9.140 1.00 0.00 C ATOM 42 NE1 TRP A 25 3.781 2.637 10.657 1.00 0.00 N ATOM 43 CE2 TRP A 25 3.574 2.811 9.304 1.00 0.00 C ATOM 44 CE3 TRP A 25 1.657 2.840 7.830 1.00 0.00 C ATOM 45 CZ2 TRP A 25 4.438 3.039 8.224 1.00 0.00 C ATOM 46 CZ3 TRP A 25 2.514 3.079 6.740 1.00 0.00 C ATOM 47 CH2 TRP A 25 3.902 3.183 6.936 1.00 0.00 C ATOM 48 H TRP A 25 -2.255 1.886 11.455 1.00 0.00 H ATOM 49 HA TRP A 25 -0.493 0.967 9.376 1.00 0.00 H ATOM 50 HB2 TRP A 25 -0.414 3.226 10.274 1.00 0.00 H ATOM 51 HB3 TRP A 25 -0.009 2.614 11.876 1.00 0.00 H ATOM 52 HD1 TRP A 25 2.485 2.361 12.394 1.00 0.00 H ATOM 53 HE1 TRP A 25 4.696 2.647 11.083 1.00 0.00 H ATOM 54 HE3 TRP A 25 0.595 2.750 7.665 1.00 0.00 H ATOM 55 HZ2 TRP A 25 5.502 3.118 8.387 1.00 0.00 H ATOM 56 HZ3 TRP A 25 2.102 3.185 5.747 1.00 0.00 H ATOM 57 HH2 TRP A 25 4.555 3.368 6.095 1.00 0.00 H ATOM 58 N ASP A 26 0.732 -0.972 10.385 1.00 0.00 N ATOM 59 CA ASP A 26 1.612 -2.014 10.889 1.00 0.00 C ATOM 60 C ASP A 26 3.045 -1.491 10.838 1.00 0.00 C ATOM 61 O ASP A 26 3.569 -1.235 9.756 1.00 0.00 O ATOM 62 CB ASP A 26 1.459 -3.283 10.047 1.00 0.00 C ATOM 63 CG ASP A 26 2.526 -4.315 10.401 1.00 0.00 C ATOM 64 OD1 ASP A 26 2.540 -4.747 11.573 1.00 0.00 O ATOM 65 OD2 ASP A 26 3.317 -4.646 9.492 1.00 0.00 O ATOM 66 H ASP A 26 0.652 -0.877 9.381 1.00 0.00 H ATOM 67 HA ASP A 26 1.348 -2.268 11.917 1.00 0.00 H ATOM 68 HB2 ASP A 26 0.472 -3.713 10.220 1.00 0.00 H ATOM 69 HB3 ASP A 26 1.550 -3.025 8.994 1.00 0.00 H ATOM 70 N LEU A 27 3.671 -1.345 12.010 1.00 0.00 N ATOM 71 CA LEU A 27 5.021 -0.820 12.159 1.00 0.00 C ATOM 72 C LEU A 27 6.071 -1.795 11.614 1.00 0.00 C ATOM 73 O LEU A 27 7.135 -1.359 11.183 1.00 0.00 O ATOM 74 CB LEU A 27 5.321 -0.521 13.637 1.00 0.00 C ATOM 75 CG LEU A 27 4.577 0.696 14.217 1.00 0.00 C ATOM 76 CD1 LEU A 27 3.097 0.416 14.512 1.00 0.00 C ATOM 77 CD2 LEU A 27 5.257 1.116 15.525 1.00 0.00 C ATOM 78 H LEU A 27 3.177 -1.597 12.854 1.00 0.00 H ATOM 79 HA LEU A 27 5.104 0.111 11.596 1.00 0.00 H ATOM 80 HB2 LEU A 27 5.117 -1.404 14.243 1.00 0.00 H ATOM 81 HB3 LEU A 27 6.388 -0.307 13.705 1.00 0.00 H ATOM 82 HG LEU A 27 4.651 1.531 13.520 1.00 0.00 H ATOM 83 HD11 LEU A 27 2.537 0.278 13.591 1.00 0.00 H ATOM 84 HD12 LEU A 27 3.000 -0.476 15.131 1.00 0.00 H ATOM 85 HD13 LEU A 27 2.662 1.263 15.042 1.00 0.00 H ATOM 86 HD21 LEU A 27 6.300 1.372 15.339 1.00 0.00 H ATOM 87 HD22 LEU A 27 4.755 1.990 15.942 1.00 0.00 H ATOM 88 HD23 LEU A 27 5.213 0.300 16.248 1.00 0.00 H ATOM 89 N LEU A 28 5.789 -3.104 11.652 1.00 0.00 N ATOM 90 CA LEU A 28 6.745 -4.141 11.283 1.00 0.00 C ATOM 91 C LEU A 28 7.126 -4.030 9.805 1.00 0.00 C ATOM 92 O LEU A 28 8.305 -3.903 9.479 1.00 0.00 O ATOM 93 CB LEU A 28 6.175 -5.531 11.603 1.00 0.00 C ATOM 94 CG LEU A 28 5.744 -5.719 13.069 1.00 0.00 C ATOM 95 CD1 LEU A 28 5.157 -7.124 13.240 1.00 0.00 C ATOM 96 CD2 LEU A 28 6.913 -5.533 14.044 1.00 0.00 C ATOM 97 H LEU A 28 4.888 -3.400 11.995 1.00 0.00 H ATOM 98 HA LEU A 28 7.655 -3.997 11.866 1.00 0.00 H ATOM 99 HB2 LEU A 28 5.306 -5.713 10.970 1.00 0.00 H ATOM 100 HB3 LEU A 28 6.932 -6.278 11.360 1.00 0.00 H ATOM 101 HG LEU A 28 4.961 -5.003 13.322 1.00 0.00 H ATOM 102 HD11 LEU A 28 4.308 -7.255 12.570 1.00 0.00 H ATOM 103 HD12 LEU A 28 5.913 -7.876 13.011 1.00 0.00 H ATOM 104 HD13 LEU A 28 4.817 -7.261 14.267 1.00 0.00 H ATOM 105 HD21 LEU A 28 6.588 -5.778 15.055 1.00 0.00 H ATOM 106 HD22 LEU A 28 7.739 -6.188 13.767 1.00 0.00 H ATOM 107 HD23 LEU A 28 7.252 -4.498 14.037 1.00 0.00 H ATOM 108 N VAL A 29 6.125 -4.072 8.919 1.00 0.00 N ATOM 109 CA VAL A 29 6.309 -4.005 7.475 1.00 0.00 C ATOM 110 C VAL A 29 6.280 -2.547 6.996 1.00 0.00 C ATOM 111 O VAL A 29 6.821 -2.254 5.933 1.00 0.00 O ATOM 112 CB VAL A 29 5.239 -4.865 6.779 1.00 0.00 C ATOM 113 CG1 VAL A 29 5.395 -4.856 5.252 1.00 0.00 C ATOM 114 CG2 VAL A 29 5.302 -6.322 7.261 1.00 0.00 C ATOM 115 H VAL A 29 5.179 -4.178 9.261 1.00 0.00 H ATOM 116 HA VAL A 29 7.279 -4.428 7.212 1.00 0.00 H ATOM 117 HB VAL A 29 4.261 -4.459 7.027 1.00 0.00 H ATOM 118 HG11 VAL A 29 4.706 -5.574 4.805 1.00 0.00 H ATOM 119 HG12 VAL A 29 5.163 -3.871 4.849 1.00 0.00 H ATOM 120 HG13 VAL A 29 6.414 -5.130 4.978 1.00 0.00 H ATOM 121 HG21 VAL A 29 5.122 -6.387 8.333 1.00 0.00 H ATOM 122 HG22 VAL A 29 4.539 -6.910 6.751 1.00 0.00 H ATOM 123 HG23 VAL A 29 6.283 -6.743 7.039 1.00 0.00 H ATOM 124 N ARG A 30 5.665 -1.644 7.774 1.00 0.00 N ATOM 125 CA ARG A 30 5.552 -0.219 7.483 1.00 0.00 C ATOM 126 C ARG A 30 4.588 0.002 6.321 1.00 0.00 C ATOM 127 O ARG A 30 4.959 0.555 5.287 1.00 0.00 O ATOM 128 CB ARG A 30 6.928 0.447 7.286 1.00 0.00 C ATOM 129 CG ARG A 30 7.784 0.275 8.544 1.00 0.00 C ATOM 130 CD ARG A 30 9.171 0.899 8.371 1.00 0.00 C ATOM 131 NE ARG A 30 9.953 0.801 9.610 1.00 0.00 N ATOM 132 CZ ARG A 30 10.500 -0.324 10.102 1.00 0.00 C ATOM 133 NH1 ARG A 30 10.389 -1.493 9.453 1.00 0.00 N ATOM 134 NH2 ARG A 30 11.167 -0.279 11.263 1.00 0.00 N ATOM 135 H ARG A 30 5.222 -1.956 8.627 1.00 0.00 H ATOM 136 HA ARG A 30 5.105 0.255 8.356 1.00 0.00 H ATOM 137 HB2 ARG A 30 7.452 0.036 6.425 1.00 0.00 H ATOM 138 HB3 ARG A 30 6.783 1.513 7.109 1.00 0.00 H ATOM 139 HG2 ARG A 30 7.282 0.751 9.386 1.00 0.00 H ATOM 140 HG3 ARG A 30 7.902 -0.786 8.755 1.00 0.00 H ATOM 141 HD2 ARG A 30 9.701 0.407 7.553 1.00 0.00 H ATOM 142 HD3 ARG A 30 9.056 1.953 8.121 1.00 0.00 H ATOM 143 HE ARG A 30 10.072 1.657 10.133 1.00 0.00 H ATOM 144 HH11 ARG A 30 9.884 -1.541 8.580 1.00 0.00 H ATOM 145 HH12 ARG A 30 10.788 -2.333 9.843 1.00 0.00 H ATOM 146 HH21 ARG A 30 11.255 0.594 11.762 1.00 0.00 H ATOM 147 HH22 ARG A 30 11.578 -1.118 11.643 1.00 0.00 H ATOM 148 N HIS A 31 3.338 -0.436 6.512 1.00 0.00 N ATOM 149 CA HIS A 31 2.243 -0.223 5.576 1.00 0.00 C ATOM 150 C HIS A 31 0.910 -0.161 6.319 1.00 0.00 C ATOM 151 O HIS A 31 0.811 -0.595 7.467 1.00 0.00 O ATOM 152 CB HIS A 31 2.237 -1.295 4.476 1.00 0.00 C ATOM 153 CG HIS A 31 2.074 -2.727 4.929 1.00 0.00 C ATOM 154 ND1 HIS A 31 1.755 -3.092 6.228 1.00 0.00 N ATOM 155 CD2 HIS A 31 2.158 -3.913 4.239 1.00 0.00 C ATOM 156 CE1 HIS A 31 1.672 -4.432 6.264 1.00 0.00 C ATOM 157 NE2 HIS A 31 1.906 -4.994 5.078 1.00 0.00 N ATOM 158 H HIS A 31 3.111 -0.877 7.393 1.00 0.00 H ATOM 159 HA HIS A 31 2.386 0.743 5.089 1.00 0.00 H ATOM 160 HB2 HIS A 31 1.425 -1.074 3.781 1.00 0.00 H ATOM 161 HB3 HIS A 31 3.170 -1.217 3.921 1.00 0.00 H ATOM 162 HD1 HIS A 31 1.602 -2.460 7.002 1.00 0.00 H ATOM 163 HD2 HIS A 31 2.385 -3.995 3.186 1.00 0.00 H ATOM 164 HE1 HIS A 31 1.442 -4.995 7.156 1.00 0.00 H ATOM 165 N TRP A 32 -0.113 0.366 5.641 1.00 0.00 N ATOM 166 CA TRP A 32 -1.479 0.412 6.137 1.00 0.00 C ATOM 167 C TRP A 32 -2.172 -0.915 5.838 1.00 0.00 C ATOM 168 O TRP A 32 -2.299 -1.301 4.679 1.00 0.00 O ATOM 169 CB TRP A 32 -2.227 1.582 5.493 1.00 0.00 C ATOM 170 CG TRP A 32 -1.782 2.929 5.968 1.00 0.00 C ATOM 171 CD1 TRP A 32 -0.938 3.763 5.320 1.00 0.00 C ATOM 172 CD2 TRP A 32 -2.112 3.594 7.222 1.00 0.00 C ATOM 173 NE1 TRP A 32 -0.722 4.894 6.079 1.00 0.00 N ATOM 174 CE2 TRP A 32 -1.421 4.840 7.268 1.00 0.00 C ATOM 175 CE3 TRP A 32 -2.919 3.264 8.331 1.00 0.00 C ATOM 176 CZ2 TRP A 32 -1.527 5.714 8.361 1.00 0.00 C ATOM 177 CZ3 TRP A 32 -3.040 4.136 9.429 1.00 0.00 C ATOM 178 CH2 TRP A 32 -2.343 5.357 9.447 1.00 0.00 C ATOM 179 H TRP A 32 0.057 0.688 4.699 1.00 0.00 H ATOM 180 HA TRP A 32 -1.473 0.579 7.215 1.00 0.00 H ATOM 181 HB2 TRP A 32 -2.129 1.527 4.407 1.00 0.00 H ATOM 182 HB3 TRP A 32 -3.286 1.487 5.738 1.00 0.00 H ATOM 183 HD1 TRP A 32 -0.486 3.567 4.359 1.00 0.00 H ATOM 184 HE1 TRP A 32 -0.127 5.669 5.823 1.00 0.00 H ATOM 185 HE3 TRP A 32 -3.452 2.327 8.332 1.00 0.00 H ATOM 186 HZ2 TRP A 32 -0.987 6.648 8.368 1.00 0.00 H ATOM 187 HZ3 TRP A 32 -3.669 3.866 10.264 1.00 0.00 H ATOM 188 HH2 TRP A 32 -2.436 6.020 10.295 1.00 0.00 H ATOM 189 N VAL A 33 -2.622 -1.599 6.895 1.00 0.00 N ATOM 190 CA VAL A 33 -3.335 -2.863 6.816 1.00 0.00 C ATOM 191 C VAL A 33 -4.821 -2.546 6.958 1.00 0.00 C ATOM 192 O VAL A 33 -5.291 -2.269 8.058 1.00 0.00 O ATOM 193 CB VAL A 33 -2.838 -3.813 7.919 1.00 0.00 C ATOM 194 CG1 VAL A 33 -3.594 -5.147 7.878 1.00 0.00 C ATOM 195 CG2 VAL A 33 -1.341 -4.092 7.750 1.00 0.00 C ATOM 196 H VAL A 33 -2.480 -1.215 7.819 1.00 0.00 H ATOM 197 HA VAL A 33 -3.155 -3.346 5.853 1.00 0.00 H ATOM 198 HB VAL A 33 -2.990 -3.351 8.895 1.00 0.00 H ATOM 199 HG11 VAL A 33 -4.659 -4.993 8.047 1.00 0.00 H ATOM 200 HG12 VAL A 33 -3.454 -5.626 6.908 1.00 0.00 H ATOM 201 HG13 VAL A 33 -3.214 -5.808 8.658 1.00 0.00 H ATOM 202 HG21 VAL A 33 -0.768 -3.172 7.864 1.00 0.00 H ATOM 203 HG22 VAL A 33 -1.011 -4.804 8.507 1.00 0.00 H ATOM 204 HG23 VAL A 33 -1.155 -4.512 6.761 1.00 0.00 H ATOM 205 N CYS A 34 -5.548 -2.581 5.836 1.00 0.00 N ATOM 206 CA CYS A 34 -6.960 -2.234 5.758 1.00 0.00 C ATOM 207 C CYS A 34 -7.792 -3.513 5.767 1.00 0.00 C ATOM 208 O CYS A 34 -8.331 -3.931 4.744 1.00 0.00 O ATOM 209 CB CYS A 34 -7.203 -1.377 4.511 1.00 0.00 C ATOM 210 SG CYS A 34 -6.242 0.164 4.391 1.00 0.00 S ATOM 211 H CYS A 34 -5.086 -2.825 4.973 1.00 0.00 H ATOM 212 HA CYS A 34 -7.271 -1.651 6.618 1.00 0.00 H ATOM 213 HB2 CYS A 34 -6.953 -1.971 3.630 1.00 0.00 H ATOM 214 HB3 CYS A 34 -8.262 -1.121 4.456 1.00 0.00 H HETATM 215 N NH2 A 35 -7.894 -4.140 6.940 1.00 0.00 N HETATM 216 HN1 NH2 A 35 -8.431 -4.993 7.009 1.00 0.00 H HETATM 217 HN2 NH2 A 35 -7.432 -3.757 7.753 1.00 0.00 H TER 218 NH2 A 35