HETATM 1 C ACE A 22 -8.437 -0.759 9.023 1.00 0.00 C HETATM 2 O ACE A 22 -7.594 -1.560 9.420 1.00 0.00 O HETATM 3 CH3 ACE A 22 -9.917 -1.023 9.267 1.00 0.00 C HETATM 4 H1 ACE A 22 -10.439 -1.089 8.312 1.00 0.00 H HETATM 5 H2 ACE A 22 -10.042 -1.961 9.807 1.00 0.00 H HETATM 6 H3 ACE A 22 -10.342 -0.211 9.856 1.00 0.00 H ATOM 7 N CYS A 23 -8.137 0.367 8.363 1.00 0.00 N ATOM 8 CA CYS A 23 -6.787 0.798 8.026 1.00 0.00 C ATOM 9 C CYS A 23 -6.013 1.164 9.289 1.00 0.00 C ATOM 10 O CYS A 23 -6.135 2.280 9.791 1.00 0.00 O ATOM 11 CB CYS A 23 -6.842 1.967 7.038 1.00 0.00 C ATOM 12 SG CYS A 23 -7.614 1.621 5.431 1.00 0.00 S ATOM 13 H CYS A 23 -8.895 0.969 8.074 1.00 0.00 H ATOM 14 HA CYS A 23 -6.245 0.003 7.524 1.00 0.00 H ATOM 15 HB2 CYS A 23 -7.392 2.790 7.494 1.00 0.00 H ATOM 16 HB3 CYS A 23 -5.824 2.306 6.844 1.00 0.00 H ATOM 17 N HIS A 24 -5.210 0.214 9.785 1.00 0.00 N ATOM 18 CA HIS A 24 -4.321 0.393 10.924 1.00 0.00 C ATOM 19 C HIS A 24 -2.875 0.268 10.449 1.00 0.00 C ATOM 20 O HIS A 24 -2.570 -0.554 9.584 1.00 0.00 O ATOM 21 CB HIS A 24 -4.650 -0.623 12.023 1.00 0.00 C ATOM 22 CG HIS A 24 -4.433 -2.060 11.625 1.00 0.00 C ATOM 23 ND1 HIS A 24 -5.372 -2.787 10.912 1.00 0.00 N ATOM 24 CD2 HIS A 24 -3.383 -2.924 11.827 1.00 0.00 C ATOM 25 CE1 HIS A 24 -4.870 -4.019 10.733 1.00 0.00 C ATOM 26 NE2 HIS A 24 -3.657 -4.170 11.271 1.00 0.00 N ATOM 27 H HIS A 24 -5.180 -0.681 9.314 1.00 0.00 H ATOM 28 HA HIS A 24 -4.460 1.387 11.352 1.00 0.00 H ATOM 29 HB2 HIS A 24 -4.022 -0.410 12.889 1.00 0.00 H ATOM 30 HB3 HIS A 24 -5.691 -0.496 12.321 1.00 0.00 H ATOM 31 HD1 HIS A 24 -6.261 -2.446 10.570 1.00 0.00 H ATOM 32 HD2 HIS A 24 -2.472 -2.673 12.352 1.00 0.00 H ATOM 33 HE1 HIS A 24 -5.391 -4.806 10.207 1.00 0.00 H ATOM 34 N TRP A 25 -1.988 1.093 11.010 1.00 0.00 N ATOM 35 CA TRP A 25 -0.590 1.135 10.620 1.00 0.00 C ATOM 36 C TRP A 25 0.165 -0.051 11.216 1.00 0.00 C ATOM 37 O TRP A 25 0.393 -0.096 12.424 1.00 0.00 O ATOM 38 CB TRP A 25 0.035 2.455 11.075 1.00 0.00 C ATOM 39 CG TRP A 25 1.487 2.608 10.738 1.00 0.00 C ATOM 40 CD1 TRP A 25 2.506 2.622 11.625 1.00 0.00 C ATOM 41 CD2 TRP A 25 2.101 2.770 9.426 1.00 0.00 C ATOM 42 NE1 TRP A 25 3.703 2.803 10.963 1.00 0.00 N ATOM 43 CE2 TRP A 25 3.508 2.913 9.601 1.00 0.00 C ATOM 44 CE3 TRP A 25 1.611 2.824 8.105 1.00 0.00 C ATOM 45 CZ2 TRP A 25 4.380 3.123 8.524 1.00 0.00 C ATOM 46 CZ3 TRP A 25 2.475 3.045 7.017 1.00 0.00 C ATOM 47 CH2 TRP A 25 3.857 3.193 7.223 1.00 0.00 C ATOM 48 H TRP A 25 -2.296 1.739 11.723 1.00 0.00 H ATOM 49 HA TRP A 25 -0.525 1.100 9.532 1.00 0.00 H ATOM 50 HB2 TRP A 25 -0.500 3.274 10.596 1.00 0.00 H ATOM 51 HB3 TRP A 25 -0.091 2.558 12.153 1.00 0.00 H ATOM 52 HD1 TRP A 25 2.400 2.521 12.694 1.00 0.00 H ATOM 53 HE1 TRP A 25 4.612 2.860 11.398 1.00 0.00 H ATOM 54 HE3 TRP A 25 0.556 2.697 7.932 1.00 0.00 H ATOM 55 HZ2 TRP A 25 5.437 3.248 8.697 1.00 0.00 H ATOM 56 HZ3 TRP A 25 2.073 3.104 6.016 1.00 0.00 H ATOM 57 HH2 TRP A 25 4.513 3.364 6.383 1.00 0.00 H ATOM 58 N ASP A 26 0.574 -0.992 10.359 1.00 0.00 N ATOM 59 CA ASP A 26 1.484 -2.060 10.729 1.00 0.00 C ATOM 60 C ASP A 26 2.900 -1.550 10.476 1.00 0.00 C ATOM 61 O ASP A 26 3.382 -1.583 9.344 1.00 0.00 O ATOM 62 CB ASP A 26 1.178 -3.322 9.918 1.00 0.00 C ATOM 63 CG ASP A 26 2.180 -4.432 10.221 1.00 0.00 C ATOM 64 OD1 ASP A 26 1.957 -5.141 11.226 1.00 0.00 O ATOM 65 OD2 ASP A 26 3.155 -4.548 9.448 1.00 0.00 O ATOM 66 H ASP A 26 0.342 -0.895 9.378 1.00 0.00 H ATOM 67 HA ASP A 26 1.367 -2.316 11.783 1.00 0.00 H ATOM 68 HB2 ASP A 26 0.173 -3.669 10.160 1.00 0.00 H ATOM 69 HB3 ASP A 26 1.220 -3.088 8.858 1.00 0.00 H ATOM 70 N LEU A 27 3.551 -1.074 11.540 1.00 0.00 N ATOM 71 CA LEU A 27 4.915 -0.563 11.515 1.00 0.00 C ATOM 72 C LEU A 27 5.919 -1.671 11.180 1.00 0.00 C ATOM 73 O LEU A 27 6.931 -1.395 10.538 1.00 0.00 O ATOM 74 CB LEU A 27 5.212 0.094 12.872 1.00 0.00 C ATOM 75 CG LEU A 27 6.573 0.814 12.927 1.00 0.00 C ATOM 76 CD1 LEU A 27 6.456 2.084 13.778 1.00 0.00 C ATOM 77 CD2 LEU A 27 7.662 -0.077 13.539 1.00 0.00 C ATOM 78 H LEU A 27 3.068 -1.060 12.427 1.00 0.00 H ATOM 79 HA LEU A 27 4.975 0.207 10.746 1.00 0.00 H ATOM 80 HB2 LEU A 27 4.425 0.829 13.047 1.00 0.00 H ATOM 81 HB3 LEU A 27 5.153 -0.649 13.668 1.00 0.00 H ATOM 82 HG LEU A 27 6.871 1.112 11.922 1.00 0.00 H ATOM 83 HD11 LEU A 27 5.732 2.768 13.333 1.00 0.00 H ATOM 84 HD12 LEU A 27 6.134 1.830 14.788 1.00 0.00 H ATOM 85 HD13 LEU A 27 7.422 2.585 13.826 1.00 0.00 H ATOM 86 HD21 LEU A 27 7.399 -0.337 14.565 1.00 0.00 H ATOM 87 HD22 LEU A 27 7.791 -0.994 12.968 1.00 0.00 H ATOM 88 HD23 LEU A 27 8.611 0.460 13.544 1.00 0.00 H ATOM 89 N LEU A 28 5.637 -2.908 11.616 1.00 0.00 N ATOM 90 CA LEU A 28 6.512 -4.069 11.484 1.00 0.00 C ATOM 91 C LEU A 28 7.009 -4.228 10.045 1.00 0.00 C ATOM 92 O LEU A 28 8.210 -4.369 9.824 1.00 0.00 O ATOM 93 CB LEU A 28 5.789 -5.346 11.944 1.00 0.00 C ATOM 94 CG LEU A 28 5.545 -5.498 13.459 1.00 0.00 C ATOM 95 CD1 LEU A 28 6.853 -5.532 14.259 1.00 0.00 C ATOM 96 CD2 LEU A 28 4.597 -4.447 14.048 1.00 0.00 C ATOM 97 H LEU A 28 4.763 -3.049 12.099 1.00 0.00 H ATOM 98 HA LEU A 28 7.389 -3.909 12.110 1.00 0.00 H ATOM 99 HB2 LEU A 28 4.832 -5.419 11.429 1.00 0.00 H ATOM 100 HB3 LEU A 28 6.392 -6.201 11.634 1.00 0.00 H ATOM 101 HG LEU A 28 5.062 -6.468 13.592 1.00 0.00 H ATOM 102 HD11 LEU A 28 6.638 -5.819 15.289 1.00 0.00 H ATOM 103 HD12 LEU A 28 7.534 -6.265 13.826 1.00 0.00 H ATOM 104 HD13 LEU A 28 7.329 -4.553 14.265 1.00 0.00 H ATOM 105 HD21 LEU A 28 4.310 -4.749 15.057 1.00 0.00 H ATOM 106 HD22 LEU A 28 5.086 -3.476 14.110 1.00 0.00 H ATOM 107 HD23 LEU A 28 3.698 -4.370 13.437 1.00 0.00 H ATOM 108 N VAL A 29 6.090 -4.178 9.075 1.00 0.00 N ATOM 109 CA VAL A 29 6.422 -4.142 7.657 1.00 0.00 C ATOM 110 C VAL A 29 6.582 -2.678 7.242 1.00 0.00 C ATOM 111 O VAL A 29 7.543 -2.326 6.562 1.00 0.00 O ATOM 112 CB VAL A 29 5.330 -4.848 6.838 1.00 0.00 C ATOM 113 CG1 VAL A 29 5.645 -4.796 5.337 1.00 0.00 C ATOM 114 CG2 VAL A 29 5.181 -6.315 7.264 1.00 0.00 C ATOM 115 H VAL A 29 5.114 -4.098 9.329 1.00 0.00 H ATOM 116 HA VAL A 29 7.360 -4.667 7.474 1.00 0.00 H ATOM 117 HB VAL A 29 4.387 -4.337 7.012 1.00 0.00 H ATOM 118 HG11 VAL A 29 6.634 -5.217 5.150 1.00 0.00 H ATOM 119 HG12 VAL A 29 4.907 -5.374 4.783 1.00 0.00 H ATOM 120 HG13 VAL A 29 5.618 -3.768 4.976 1.00 0.00 H ATOM 121 HG21 VAL A 29 4.899 -6.387 8.314 1.00 0.00 H ATOM 122 HG22 VAL A 29 4.403 -6.792 6.666 1.00 0.00 H ATOM 123 HG23 VAL A 29 6.122 -6.844 7.111 1.00 0.00 H ATOM 124 N ARG A 30 5.644 -1.827 7.666 1.00 0.00 N ATOM 125 CA ARG A 30 5.704 -0.395 7.439 1.00 0.00 C ATOM 126 C ARG A 30 4.682 -0.011 6.366 1.00 0.00 C ATOM 127 O ARG A 30 5.018 0.639 5.378 1.00 0.00 O ATOM 128 CB ARG A 30 7.151 0.000 7.098 1.00 0.00 C ATOM 129 CG ARG A 30 7.391 1.498 7.315 1.00 0.00 C ATOM 130 CD ARG A 30 8.837 1.875 6.992 1.00 0.00 C ATOM 131 NE ARG A 30 9.074 3.300 7.252 1.00 0.00 N ATOM 132 CZ ARG A 30 10.250 3.925 7.077 1.00 0.00 C ATOM 133 NH1 ARG A 30 11.323 3.254 6.635 1.00 0.00 N ATOM 134 NH2 ARG A 30 10.350 5.232 7.346 1.00 0.00 N ATOM 135 H ARG A 30 4.872 -2.175 8.219 1.00 0.00 H ATOM 136 HA ARG A 30 5.423 0.096 8.370 1.00 0.00 H ATOM 137 HB2 ARG A 30 7.826 -0.541 7.762 1.00 0.00 H ATOM 138 HB3 ARG A 30 7.384 -0.277 6.068 1.00 0.00 H ATOM 139 HG2 ARG A 30 6.725 2.083 6.683 1.00 0.00 H ATOM 140 HG3 ARG A 30 7.196 1.736 8.362 1.00 0.00 H ATOM 141 HD2 ARG A 30 9.509 1.281 7.615 1.00 0.00 H ATOM 142 HD3 ARG A 30 9.037 1.659 5.942 1.00 0.00 H ATOM 143 HE ARG A 30 8.286 3.838 7.584 1.00 0.00 H ATOM 144 HH11 ARG A 30 11.254 2.267 6.430 1.00 0.00 H ATOM 145 HH12 ARG A 30 12.203 3.731 6.506 1.00 0.00 H ATOM 146 HH21 ARG A 30 9.546 5.745 7.678 1.00 0.00 H ATOM 147 HH22 ARG A 30 11.231 5.710 7.217 1.00 0.00 H ATOM 148 N HIS A 31 3.426 -0.434 6.561 1.00 0.00 N ATOM 149 CA HIS A 31 2.323 -0.159 5.648 1.00 0.00 C ATOM 150 C HIS A 31 0.988 -0.106 6.392 1.00 0.00 C ATOM 151 O HIS A 31 0.873 -0.605 7.510 1.00 0.00 O ATOM 152 CB HIS A 31 2.300 -1.181 4.502 1.00 0.00 C ATOM 153 CG HIS A 31 2.186 -2.634 4.903 1.00 0.00 C ATOM 154 ND1 HIS A 31 1.856 -3.052 6.184 1.00 0.00 N ATOM 155 CD2 HIS A 31 2.341 -3.793 4.180 1.00 0.00 C ATOM 156 CE1 HIS A 31 1.822 -4.395 6.173 1.00 0.00 C ATOM 157 NE2 HIS A 31 2.109 -4.909 4.977 1.00 0.00 N ATOM 158 H HIS A 31 3.213 -0.944 7.410 1.00 0.00 H ATOM 159 HA HIS A 31 2.478 0.823 5.201 1.00 0.00 H ATOM 160 HB2 HIS A 31 1.463 -0.950 3.842 1.00 0.00 H ATOM 161 HB3 HIS A 31 3.215 -1.063 3.923 1.00 0.00 H ATOM 162 HD1 HIS A 31 1.668 -2.451 6.973 1.00 0.00 H ATOM 163 HD2 HIS A 31 2.598 -3.831 3.132 1.00 0.00 H ATOM 164 HE1 HIS A 31 1.591 -4.996 7.040 1.00 0.00 H ATOM 165 N TRP A 32 -0.021 0.485 5.744 1.00 0.00 N ATOM 166 CA TRP A 32 -1.394 0.514 6.228 1.00 0.00 C ATOM 167 C TRP A 32 -2.093 -0.787 5.843 1.00 0.00 C ATOM 168 O TRP A 32 -2.239 -1.083 4.657 1.00 0.00 O ATOM 169 CB TRP A 32 -2.131 1.722 5.641 1.00 0.00 C ATOM 170 CG TRP A 32 -1.709 3.040 6.206 1.00 0.00 C ATOM 171 CD1 TRP A 32 -0.839 3.906 5.640 1.00 0.00 C ATOM 172 CD2 TRP A 32 -2.102 3.643 7.474 1.00 0.00 C ATOM 173 NE1 TRP A 32 -0.660 4.998 6.466 1.00 0.00 N ATOM 174 CE2 TRP A 32 -1.416 4.884 7.616 1.00 0.00 C ATOM 175 CE3 TRP A 32 -2.964 3.262 8.523 1.00 0.00 C ATOM 176 CZ2 TRP A 32 -1.576 5.703 8.743 1.00 0.00 C ATOM 177 CZ3 TRP A 32 -3.139 4.078 9.655 1.00 0.00 C ATOM 178 CH2 TRP A 32 -2.446 5.296 9.768 1.00 0.00 C ATOM 179 H TRP A 32 0.160 0.867 4.828 1.00 0.00 H ATOM 180 HA TRP A 32 -1.399 0.619 7.314 1.00 0.00 H ATOM 181 HB2 TRP A 32 -2.008 1.734 4.557 1.00 0.00 H ATOM 182 HB3 TRP A 32 -3.195 1.607 5.855 1.00 0.00 H ATOM 183 HD1 TRP A 32 -0.343 3.759 4.693 1.00 0.00 H ATOM 184 HE1 TRP A 32 -0.055 5.784 6.277 1.00 0.00 H ATOM 185 HE3 TRP A 32 -3.500 2.328 8.450 1.00 0.00 H ATOM 186 HZ2 TRP A 32 -1.038 6.637 8.822 1.00 0.00 H ATOM 187 HZ3 TRP A 32 -3.807 3.768 10.444 1.00 0.00 H ATOM 188 HH2 TRP A 32 -2.582 5.918 10.641 1.00 0.00 H ATOM 189 N VAL A 33 -2.529 -1.553 6.848 1.00 0.00 N ATOM 190 CA VAL A 33 -3.257 -2.800 6.677 1.00 0.00 C ATOM 191 C VAL A 33 -4.738 -2.496 6.881 1.00 0.00 C ATOM 192 O VAL A 33 -5.166 -2.245 8.006 1.00 0.00 O ATOM 193 CB VAL A 33 -2.741 -3.847 7.677 1.00 0.00 C ATOM 194 CG1 VAL A 33 -3.535 -5.156 7.573 1.00 0.00 C ATOM 195 CG2 VAL A 33 -1.264 -4.149 7.409 1.00 0.00 C ATOM 196 H VAL A 33 -2.377 -1.239 7.798 1.00 0.00 H ATOM 197 HA VAL A 33 -3.103 -3.198 5.672 1.00 0.00 H ATOM 198 HB VAL A 33 -2.833 -3.455 8.690 1.00 0.00 H ATOM 199 HG11 VAL A 33 -4.585 -4.994 7.815 1.00 0.00 H ATOM 200 HG12 VAL A 33 -3.461 -5.558 6.562 1.00 0.00 H ATOM 201 HG13 VAL A 33 -3.130 -5.885 8.276 1.00 0.00 H ATOM 202 HG21 VAL A 33 -1.141 -4.535 6.397 1.00 0.00 H ATOM 203 HG22 VAL A 33 -0.673 -3.242 7.520 1.00 0.00 H ATOM 204 HG23 VAL A 33 -0.903 -4.892 8.121 1.00 0.00 H ATOM 205 N CYS A 34 -5.510 -2.518 5.788 1.00 0.00 N ATOM 206 CA CYS A 34 -6.934 -2.215 5.777 1.00 0.00 C ATOM 207 C CYS A 34 -7.721 -3.523 5.772 1.00 0.00 C ATOM 208 O CYS A 34 -8.264 -3.937 4.751 1.00 0.00 O ATOM 209 CB CYS A 34 -7.258 -1.323 4.573 1.00 0.00 C ATOM 210 SG CYS A 34 -6.380 0.268 4.496 1.00 0.00 S ATOM 211 H CYS A 34 -5.080 -2.736 4.902 1.00 0.00 H ATOM 212 HA CYS A 34 -7.231 -1.677 6.670 1.00 0.00 H ATOM 213 HB2 CYS A 34 -7.005 -1.868 3.663 1.00 0.00 H ATOM 214 HB3 CYS A 34 -8.329 -1.120 4.558 1.00 0.00 H HETATM 215 N NH2 A 35 -7.780 -4.180 6.933 1.00 0.00 N HETATM 216 HN1 NH2 A 35 -8.286 -5.051 6.992 1.00 0.00 H HETATM 217 HN2 NH2 A 35 -7.318 -3.798 7.747 1.00 0.00 H TER 218 NH2 A 35