HETATM 1 C ACE A 1 5.525 12.686 -22.213 1.00 0.00 C HETATM 2 O ACE A 1 4.974 12.090 -23.118 1.00 0.00 O HETATM 3 CH3 ACE A 1 4.836 13.851 -21.501 1.00 0.00 C HETATM 4 H1 ACE A 1 3.835 13.559 -21.219 1.00 0.00 H HETATM 5 H2 ACE A 1 4.791 14.703 -22.163 1.00 0.00 H HETATM 6 H3 ACE A 1 5.397 14.112 -20.617 1.00 0.00 H ATOM 7 N CYS A 2 6.727 12.359 -21.815 1.00 0.00 N ATOM 8 CA CYS A 2 7.454 11.230 -22.469 1.00 0.00 C ATOM 9 C CYS A 2 8.577 10.716 -21.560 1.00 0.00 C ATOM 10 O CYS A 2 9.717 11.116 -21.690 1.00 0.00 O ATOM 11 CB CYS A 2 8.035 11.832 -23.749 1.00 0.00 C ATOM 12 SG CYS A 2 8.000 10.600 -25.073 1.00 0.00 S ATOM 13 H CYS A 2 7.151 12.858 -21.086 1.00 0.00 H ATOM 14 HA CYS A 2 6.772 10.430 -22.712 1.00 0.00 H ATOM 15 HB2 CYS A 2 7.447 12.690 -24.041 1.00 0.00 H ATOM 16 HB3 CYS A 2 9.054 12.140 -23.570 1.00 0.00 H ATOM 17 N HIS A 3 8.268 9.836 -20.642 1.00 0.00 N ATOM 18 CA HIS A 3 9.327 9.299 -19.729 1.00 0.00 C ATOM 19 C HIS A 3 9.261 7.766 -19.661 1.00 0.00 C ATOM 20 O HIS A 3 8.480 7.136 -20.345 1.00 0.00 O ATOM 21 CB HIS A 3 9.025 9.919 -18.361 1.00 0.00 C ATOM 22 CG HIS A 3 7.643 9.524 -17.918 1.00 0.00 C ATOM 23 ND1 HIS A 3 7.423 8.494 -17.017 1.00 0.00 N ATOM 24 CD2 HIS A 3 6.401 10.005 -18.249 1.00 0.00 C ATOM 25 CE1 HIS A 3 6.094 8.388 -16.839 1.00 0.00 C ATOM 26 NE2 HIS A 3 5.424 9.286 -17.567 1.00 0.00 N ATOM 27 H HIS A 3 7.342 9.526 -20.553 1.00 0.00 H ATOM 28 HA HIS A 3 10.308 9.610 -20.062 1.00 0.00 H ATOM 29 HB2 HIS A 3 9.749 9.568 -17.640 1.00 0.00 H ATOM 30 HB3 HIS A 3 9.085 10.996 -18.434 1.00 0.00 H ATOM 31 HD1 HIS A 3 8.110 7.944 -16.587 1.00 0.00 H ATOM 32 HD2 HIS A 3 6.212 10.821 -18.930 1.00 0.00 H ATOM 33 HE1 HIS A 3 5.626 7.663 -16.191 1.00 0.00 H ATOM 34 N TRP A 4 10.090 7.171 -18.843 1.00 0.00 N ATOM 35 CA TRP A 4 10.114 5.680 -18.718 1.00 0.00 C ATOM 36 C TRP A 4 9.059 5.207 -17.697 1.00 0.00 C ATOM 37 O TRP A 4 9.209 5.358 -16.500 1.00 0.00 O ATOM 38 CB TRP A 4 11.568 5.376 -18.299 1.00 0.00 C ATOM 39 CG TRP A 4 11.709 5.181 -16.822 1.00 0.00 C ATOM 40 CD1 TRP A 4 12.222 6.083 -15.957 1.00 0.00 C ATOM 41 CD2 TRP A 4 11.362 4.015 -16.039 1.00 0.00 C ATOM 42 NE1 TRP A 4 12.207 5.537 -14.685 1.00 0.00 N ATOM 43 CE2 TRP A 4 11.683 4.260 -14.686 1.00 0.00 C ATOM 44 CE3 TRP A 4 10.801 2.782 -16.380 1.00 0.00 C ATOM 45 CZ2 TRP A 4 11.455 3.305 -13.699 1.00 0.00 C ATOM 46 CZ3 TRP A 4 10.568 1.813 -15.391 1.00 0.00 C ATOM 47 CH2 TRP A 4 10.896 2.074 -14.052 1.00 0.00 C ATOM 48 H TRP A 4 10.711 7.710 -18.310 1.00 0.00 H ATOM 49 HA TRP A 4 9.923 5.214 -19.677 1.00 0.00 H ATOM 50 HB2 TRP A 4 11.898 4.481 -18.800 1.00 0.00 H ATOM 51 HB3 TRP A 4 12.198 6.198 -18.608 1.00 0.00 H ATOM 52 HD1 TRP A 4 12.584 7.065 -16.216 1.00 0.00 H ATOM 53 HE1 TRP A 4 12.523 5.986 -13.873 1.00 0.00 H ATOM 54 HE3 TRP A 4 10.541 2.585 -17.416 1.00 0.00 H ATOM 55 HZ2 TRP A 4 11.709 3.514 -12.670 1.00 0.00 H ATOM 56 HZ3 TRP A 4 10.138 0.862 -15.660 1.00 0.00 H ATOM 57 HH2 TRP A 4 10.715 1.326 -13.295 1.00 0.00 H ATOM 58 N LEU A 5 7.974 4.655 -18.178 1.00 0.00 N ATOM 59 CA LEU A 5 6.896 4.185 -17.257 1.00 0.00 C ATOM 60 C LEU A 5 6.667 2.673 -17.397 1.00 0.00 C ATOM 61 O LEU A 5 6.754 2.114 -18.473 1.00 0.00 O ATOM 62 CB LEU A 5 5.642 4.957 -17.679 1.00 0.00 C ATOM 63 CG LEU A 5 5.373 4.731 -19.170 1.00 0.00 C ATOM 64 CD1 LEU A 5 3.866 4.620 -19.407 1.00 0.00 C ATOM 65 CD2 LEU A 5 5.933 5.907 -19.977 1.00 0.00 C ATOM 66 H LEU A 5 7.865 4.560 -19.147 1.00 0.00 H ATOM 67 HA LEU A 5 7.149 4.430 -16.240 1.00 0.00 H ATOM 68 HB2 LEU A 5 4.796 4.609 -17.103 1.00 0.00 H ATOM 69 HB3 LEU A 5 5.791 6.010 -17.498 1.00 0.00 H ATOM 70 HG LEU A 5 5.853 3.816 -19.487 1.00 0.00 H ATOM 71 HD11 LEU A 5 3.685 4.089 -20.329 1.00 0.00 H ATOM 72 HD12 LEU A 5 3.438 5.609 -19.471 1.00 0.00 H ATOM 73 HD13 LEU A 5 3.412 4.083 -18.587 1.00 0.00 H ATOM 74 HD21 LEU A 5 6.074 6.757 -19.326 1.00 0.00 H ATOM 75 HD22 LEU A 5 5.241 6.168 -20.763 1.00 0.00 H ATOM 76 HD23 LEU A 5 6.880 5.627 -20.411 1.00 0.00 H ATOM 77 N ARG A 6 6.362 2.014 -16.308 1.00 0.00 N ATOM 78 CA ARG A 6 6.106 0.540 -16.347 1.00 0.00 C ATOM 79 C ARG A 6 7.253 -0.210 -17.042 1.00 0.00 C ATOM 80 O ARG A 6 7.086 -1.324 -17.497 1.00 0.00 O ATOM 81 CB ARG A 6 4.796 0.382 -17.130 1.00 0.00 C ATOM 82 CG ARG A 6 3.663 0.016 -16.165 1.00 0.00 C ATOM 83 CD ARG A 6 2.329 0.525 -16.719 1.00 0.00 C ATOM 84 NE ARG A 6 1.287 -0.088 -15.845 1.00 0.00 N ATOM 85 CZ ARG A 6 0.096 0.444 -15.774 1.00 0.00 C ATOM 86 NH1 ARG A 6 -0.621 0.588 -16.854 1.00 0.00 N ATOM 87 NH2 ARG A 6 -0.378 0.830 -14.621 1.00 0.00 N ATOM 88 H ARG A 6 6.290 2.494 -15.457 1.00 0.00 H ATOM 89 HA ARG A 6 5.976 0.164 -15.345 1.00 0.00 H ATOM 90 HB2 ARG A 6 4.559 1.311 -17.627 1.00 0.00 H ATOM 91 HB3 ARG A 6 4.906 -0.401 -17.865 1.00 0.00 H ATOM 92 HG2 ARG A 6 3.620 -1.058 -16.053 1.00 0.00 H ATOM 93 HG3 ARG A 6 3.848 0.471 -15.203 1.00 0.00 H ATOM 94 HD2 ARG A 6 2.287 1.604 -16.659 1.00 0.00 H ATOM 95 HD3 ARG A 6 2.195 0.198 -17.739 1.00 0.00 H ATOM 96 HE ARG A 6 1.496 -0.892 -15.325 1.00 0.00 H ATOM 97 HH11 ARG A 6 -0.260 0.291 -17.738 1.00 0.00 H ATOM 98 HH12 ARG A 6 -1.533 0.995 -16.798 1.00 0.00 H ATOM 99 HH21 ARG A 6 0.170 0.719 -13.792 1.00 0.00 H ATOM 100 HH22 ARG A 6 -1.290 1.237 -14.566 1.00 0.00 H ATOM 101 N GLY A 7 8.418 0.385 -17.113 1.00 0.00 N ATOM 102 CA GLY A 7 9.582 -0.299 -17.762 1.00 0.00 C ATOM 103 C GLY A 7 9.225 -0.752 -19.181 1.00 0.00 C ATOM 104 O GLY A 7 9.868 -1.618 -19.740 1.00 0.00 O ATOM 105 H GLY A 7 8.534 1.277 -16.728 1.00 0.00 H ATOM 106 HA2 GLY A 7 10.419 0.386 -17.809 1.00 0.00 H ATOM 107 HA3 GLY A 7 9.861 -1.161 -17.173 1.00 0.00 H ATOM 108 N ASP A 8 8.216 -0.174 -19.772 1.00 0.00 N ATOM 109 CA ASP A 8 7.831 -0.574 -21.158 1.00 0.00 C ATOM 110 C ASP A 8 8.498 0.345 -22.186 1.00 0.00 C ATOM 111 O ASP A 8 8.947 1.426 -21.864 1.00 0.00 O ATOM 112 CB ASP A 8 6.307 -0.431 -21.196 1.00 0.00 C ATOM 113 CG ASP A 8 5.757 -1.144 -22.433 1.00 0.00 C ATOM 114 OD1 ASP A 8 5.893 -2.355 -22.503 1.00 0.00 O ATOM 115 OD2 ASP A 8 5.207 -0.469 -23.287 1.00 0.00 O ATOM 116 H ASP A 8 7.715 0.529 -19.312 1.00 0.00 H ATOM 117 HA ASP A 8 8.107 -1.599 -21.342 1.00 0.00 H ATOM 118 HB2 ASP A 8 5.884 -0.876 -20.306 1.00 0.00 H ATOM 119 HB3 ASP A 8 6.043 0.614 -21.237 1.00 0.00 H ATOM 120 N MET A 9 8.557 -0.072 -23.423 1.00 0.00 N ATOM 121 CA MET A 9 9.186 0.789 -24.472 1.00 0.00 C ATOM 122 C MET A 9 8.179 1.845 -24.919 1.00 0.00 C ATOM 123 O MET A 9 7.477 1.683 -25.898 1.00 0.00 O ATOM 124 CB MET A 9 9.536 -0.148 -25.632 1.00 0.00 C ATOM 125 CG MET A 9 8.292 -0.932 -26.070 1.00 0.00 C ATOM 126 SD MET A 9 7.977 -0.658 -27.831 1.00 0.00 S ATOM 127 CE MET A 9 7.718 -2.393 -28.271 1.00 0.00 C ATOM 128 H MET A 9 8.182 -0.944 -23.661 1.00 0.00 H ATOM 129 HA MET A 9 10.082 1.257 -24.090 1.00 0.00 H ATOM 130 HB2 MET A 9 9.905 0.437 -26.462 1.00 0.00 H ATOM 131 HB3 MET A 9 10.301 -0.839 -25.314 1.00 0.00 H ATOM 132 HG2 MET A 9 8.455 -1.986 -25.898 1.00 0.00 H ATOM 133 HG3 MET A 9 7.438 -0.603 -25.498 1.00 0.00 H ATOM 134 HE1 MET A 9 6.887 -2.788 -27.702 1.00 0.00 H ATOM 135 HE2 MET A 9 8.607 -2.959 -28.045 1.00 0.00 H ATOM 136 HE3 MET A 9 7.505 -2.468 -29.328 1.00 0.00 H ATOM 137 N ARG A 10 8.098 2.916 -24.184 1.00 0.00 N ATOM 138 CA ARG A 10 7.132 3.999 -24.515 1.00 0.00 C ATOM 139 C ARG A 10 7.711 4.943 -25.569 1.00 0.00 C ATOM 140 O ARG A 10 7.727 6.144 -25.395 1.00 0.00 O ATOM 141 CB ARG A 10 6.909 4.734 -23.193 1.00 0.00 C ATOM 142 CG ARG A 10 5.763 5.735 -23.345 1.00 0.00 C ATOM 143 CD ARG A 10 4.429 5.029 -23.091 1.00 0.00 C ATOM 144 NE ARG A 10 3.485 5.631 -24.072 1.00 0.00 N ATOM 145 CZ ARG A 10 2.780 4.861 -24.856 1.00 0.00 C ATOM 146 NH1 ARG A 10 3.274 4.463 -25.996 1.00 0.00 N ATOM 147 NH2 ARG A 10 1.581 4.490 -24.499 1.00 0.00 N ATOM 148 H ARG A 10 8.670 3.003 -23.400 1.00 0.00 H ATOM 149 HA ARG A 10 6.204 3.577 -24.860 1.00 0.00 H ATOM 150 HB2 ARG A 10 6.662 4.017 -22.424 1.00 0.00 H ATOM 151 HB3 ARG A 10 7.811 5.260 -22.918 1.00 0.00 H ATOM 152 HG2 ARG A 10 5.890 6.536 -22.631 1.00 0.00 H ATOM 153 HG3 ARG A 10 5.769 6.140 -24.345 1.00 0.00 H ATOM 154 HD2 ARG A 10 4.530 3.966 -23.263 1.00 0.00 H ATOM 155 HD3 ARG A 10 4.089 5.218 -22.085 1.00 0.00 H ATOM 156 HE ARG A 10 3.392 6.605 -24.130 1.00 0.00 H ATOM 157 HH11 ARG A 10 4.193 4.748 -26.270 1.00 0.00 H ATOM 158 HH12 ARG A 10 2.734 3.873 -26.596 1.00 0.00 H ATOM 159 HH21 ARG A 10 1.202 4.795 -23.626 1.00 0.00 H ATOM 160 HH22 ARG A 10 1.041 3.900 -25.100 1.00 0.00 H ATOM 161 N ARG A 11 8.178 4.402 -26.661 1.00 0.00 N ATOM 162 CA ARG A 11 8.755 5.248 -27.758 1.00 0.00 C ATOM 163 C ARG A 11 10.018 5.978 -27.283 1.00 0.00 C ATOM 164 O ARG A 11 11.121 5.599 -27.625 1.00 0.00 O ATOM 165 CB ARG A 11 7.656 6.251 -28.138 1.00 0.00 C ATOM 166 CG ARG A 11 6.397 5.496 -28.569 1.00 0.00 C ATOM 167 CD ARG A 11 6.625 4.858 -29.941 1.00 0.00 C ATOM 168 NE ARG A 11 5.708 3.685 -29.976 1.00 0.00 N ATOM 169 CZ ARG A 11 4.675 3.688 -30.774 1.00 0.00 C ATOM 170 NH1 ARG A 11 4.816 3.342 -32.024 1.00 0.00 N ATOM 171 NH2 ARG A 11 3.501 4.033 -30.321 1.00 0.00 N ATOM 172 H ARG A 11 8.145 3.428 -26.765 1.00 0.00 H ATOM 173 HA ARG A 11 8.988 4.631 -28.611 1.00 0.00 H ATOM 174 HB2 ARG A 11 7.426 6.877 -27.291 1.00 0.00 H ATOM 175 HB3 ARG A 11 7.999 6.867 -28.955 1.00 0.00 H ATOM 176 HG2 ARG A 11 6.174 4.724 -27.845 1.00 0.00 H ATOM 177 HG3 ARG A 11 5.567 6.184 -28.627 1.00 0.00 H ATOM 178 HD2 ARG A 11 6.375 5.559 -30.726 1.00 0.00 H ATOM 179 HD3 ARG A 11 7.648 4.530 -30.039 1.00 0.00 H ATOM 180 HE ARG A 11 5.880 2.911 -29.401 1.00 0.00 H ATOM 181 HH11 ARG A 11 5.715 3.076 -32.371 1.00 0.00 H ATOM 182 HH12 ARG A 11 4.024 3.343 -32.636 1.00 0.00 H ATOM 183 HH21 ARG A 11 3.393 4.297 -29.363 1.00 0.00 H ATOM 184 HH22 ARG A 11 2.710 4.035 -30.933 1.00 0.00 H ATOM 185 N CYS A 12 9.871 7.020 -26.506 1.00 0.00 N ATOM 186 CA CYS A 12 11.072 7.762 -26.022 1.00 0.00 C ATOM 187 C CYS A 12 11.607 7.122 -24.736 1.00 0.00 C ATOM 188 O CYS A 12 11.804 7.790 -23.740 1.00 0.00 O ATOM 189 CB CYS A 12 10.585 9.192 -25.759 1.00 0.00 C ATOM 190 SG CYS A 12 9.313 9.189 -24.469 1.00 0.00 S ATOM 191 H CYS A 12 8.974 7.313 -26.244 1.00 0.00 H ATOM 192 HA CYS A 12 11.838 7.769 -26.781 1.00 0.00 H ATOM 193 HB2 CYS A 12 11.418 9.801 -25.439 1.00 0.00 H ATOM 194 HB3 CYS A 12 10.172 9.600 -26.669 1.00 0.00 H HETATM 195 N NH2 A 13 11.857 5.841 -24.719 1.00 0.00 N HETATM 196 HN1 NH2 A 13 11.699 5.301 -25.521 1.00 0.00 H HETATM 197 HN2 NH2 A 13 12.203 5.421 -23.904 1.00 0.00 H TER 198 NH2 A 13