HETATM 1 C ACE A 1 -1.726 -6.221 7.103 1.00 0.00 C HETATM 2 O ACE A 1 -1.943 -5.333 6.301 1.00 0.00 O HETATM 3 CH3 ACE A 1 -2.622 -7.458 7.181 1.00 0.00 C HETATM 4 H1 ACE A 1 -3.654 -7.151 7.253 1.00 0.00 H HETATM 5 H2 ACE A 1 -2.358 -8.039 8.052 1.00 0.00 H HETATM 6 H3 ACE A 1 -2.485 -8.056 6.292 1.00 0.00 H ATOM 7 N CYS A 2 -0.716 -6.156 7.931 1.00 0.00 N ATOM 8 CA CYS A 2 0.205 -4.977 7.909 1.00 0.00 C ATOM 9 C CYS A 2 -0.587 -3.669 8.020 1.00 0.00 C ATOM 10 O CYS A 2 -1.792 -3.675 8.183 1.00 0.00 O ATOM 11 CB CYS A 2 0.923 -5.057 6.562 1.00 0.00 C ATOM 12 SG CYS A 2 2.284 -6.245 6.671 1.00 0.00 S ATOM 13 H CYS A 2 -0.558 -6.885 8.567 1.00 0.00 H ATOM 14 HA CYS A 2 0.923 -5.049 8.711 1.00 0.00 H ATOM 15 HB2 CYS A 2 0.225 -5.376 5.802 1.00 0.00 H ATOM 16 HB3 CYS A 2 1.314 -4.084 6.307 1.00 0.00 H ATOM 17 N ARG A 3 0.085 -2.550 7.940 1.00 0.00 N ATOM 18 CA ARG A 3 -0.619 -1.232 8.047 1.00 0.00 C ATOM 19 C ARG A 3 -0.536 -0.461 6.721 1.00 0.00 C ATOM 20 O ARG A 3 0.488 0.096 6.383 1.00 0.00 O ATOM 21 CB ARG A 3 0.130 -0.483 9.145 1.00 0.00 C ATOM 22 CG ARG A 3 -0.246 -1.067 10.506 1.00 0.00 C ATOM 23 CD ARG A 3 0.764 -2.148 10.897 1.00 0.00 C ATOM 24 NE ARG A 3 0.260 -2.696 12.187 1.00 0.00 N ATOM 25 CZ ARG A 3 0.637 -2.158 13.315 1.00 0.00 C ATOM 26 NH1 ARG A 3 1.887 -2.223 13.682 1.00 0.00 N ATOM 27 NH2 ARG A 3 -0.236 -1.556 14.074 1.00 0.00 N ATOM 28 H ARG A 3 1.056 -2.574 7.813 1.00 0.00 H ATOM 29 HA ARG A 3 -1.649 -1.374 8.337 1.00 0.00 H ATOM 30 HB2 ARG A 3 1.196 -0.588 8.989 1.00 0.00 H ATOM 31 HB3 ARG A 3 -0.137 0.562 9.116 1.00 0.00 H ATOM 32 HG2 ARG A 3 -0.240 -0.282 11.248 1.00 0.00 H ATOM 33 HG3 ARG A 3 -1.233 -1.503 10.452 1.00 0.00 H ATOM 34 HD2 ARG A 3 0.795 -2.923 10.143 1.00 0.00 H ATOM 35 HD3 ARG A 3 1.743 -1.716 11.036 1.00 0.00 H ATOM 36 HE ARG A 3 -0.355 -3.458 12.189 1.00 0.00 H ATOM 37 HH11 ARG A 3 2.557 -2.685 13.100 1.00 0.00 H ATOM 38 HH12 ARG A 3 2.176 -1.812 14.546 1.00 0.00 H ATOM 39 HH21 ARG A 3 -1.194 -1.505 13.792 1.00 0.00 H ATOM 40 HH22 ARG A 3 0.052 -1.144 14.939 1.00 0.00 H ATOM 41 N TRP A 4 -1.608 -0.427 5.974 1.00 0.00 N ATOM 42 CA TRP A 4 -1.600 0.302 4.663 1.00 0.00 C ATOM 43 C TRP A 4 -1.969 1.783 4.843 1.00 0.00 C ATOM 44 O TRP A 4 -3.015 2.221 4.404 1.00 0.00 O ATOM 45 CB TRP A 4 -2.667 -0.404 3.823 1.00 0.00 C ATOM 46 CG TRP A 4 -2.288 -0.332 2.383 1.00 0.00 C ATOM 47 CD1 TRP A 4 -1.866 0.786 1.750 1.00 0.00 C ATOM 48 CD2 TRP A 4 -2.278 -1.398 1.390 1.00 0.00 C ATOM 49 NE1 TRP A 4 -1.592 0.475 0.432 1.00 0.00 N ATOM 50 CE2 TRP A 4 -1.831 -0.859 0.160 1.00 0.00 C ATOM 51 CE3 TRP A 4 -2.608 -2.765 1.437 1.00 0.00 C ATOM 52 CZ2 TRP A 4 -1.714 -1.650 -0.984 1.00 0.00 C ATOM 53 CZ3 TRP A 4 -2.493 -3.563 0.286 1.00 0.00 C ATOM 54 CH2 TRP A 4 -2.047 -3.006 -0.921 1.00 0.00 C ATOM 55 H TRP A 4 -2.420 -0.885 6.271 1.00 0.00 H ATOM 56 HA TRP A 4 -0.635 0.206 4.179 1.00 0.00 H ATOM 57 HB2 TRP A 4 -2.740 -1.439 4.126 1.00 0.00 H ATOM 58 HB3 TRP A 4 -3.620 0.083 3.969 1.00 0.00 H ATOM 59 HD1 TRP A 4 -1.758 1.762 2.202 1.00 0.00 H ATOM 60 HE1 TRP A 4 -1.268 1.106 -0.241 1.00 0.00 H ATOM 61 HE3 TRP A 4 -2.954 -3.204 2.362 1.00 0.00 H ATOM 62 HZ2 TRP A 4 -1.370 -1.217 -1.913 1.00 0.00 H ATOM 63 HZ3 TRP A 4 -2.750 -4.611 0.331 1.00 0.00 H ATOM 64 HH2 TRP A 4 -1.962 -3.624 -1.801 1.00 0.00 H ATOM 65 N LEU A 5 -1.130 2.558 5.476 1.00 0.00 N ATOM 66 CA LEU A 5 -1.450 4.008 5.671 1.00 0.00 C ATOM 67 C LEU A 5 -0.887 4.862 4.522 1.00 0.00 C ATOM 68 O LEU A 5 -0.195 4.373 3.643 1.00 0.00 O ATOM 69 CB LEU A 5 -0.804 4.370 7.002 1.00 0.00 C ATOM 70 CG LEU A 5 -1.750 3.959 8.131 1.00 0.00 C ATOM 71 CD1 LEU A 5 -0.944 3.615 9.383 1.00 0.00 C ATOM 72 CD2 LEU A 5 -2.709 5.111 8.437 1.00 0.00 C ATOM 73 H LEU A 5 -0.291 2.193 5.823 1.00 0.00 H ATOM 74 HA LEU A 5 -2.520 4.146 5.741 1.00 0.00 H ATOM 75 HB2 LEU A 5 0.134 3.843 7.102 1.00 0.00 H ATOM 76 HB3 LEU A 5 -0.631 5.434 7.046 1.00 0.00 H ATOM 77 HG LEU A 5 -2.316 3.093 7.822 1.00 0.00 H ATOM 78 HD11 LEU A 5 -0.056 3.069 9.101 1.00 0.00 H ATOM 79 HD12 LEU A 5 -1.547 3.007 10.042 1.00 0.00 H ATOM 80 HD13 LEU A 5 -0.662 4.525 9.891 1.00 0.00 H ATOM 81 HD21 LEU A 5 -3.345 5.287 7.581 1.00 0.00 H ATOM 82 HD22 LEU A 5 -2.143 6.005 8.655 1.00 0.00 H ATOM 83 HD23 LEU A 5 -3.318 4.854 9.290 1.00 0.00 H ATOM 84 N ARG A 6 -1.164 6.144 4.532 1.00 0.00 N ATOM 85 CA ARG A 6 -0.646 7.030 3.443 1.00 0.00 C ATOM 86 C ARG A 6 0.870 7.143 3.559 1.00 0.00 C ATOM 87 O ARG A 6 1.566 7.355 2.586 1.00 0.00 O ATOM 88 CB ARG A 6 -1.303 8.396 3.682 1.00 0.00 C ATOM 89 CG ARG A 6 -0.946 8.902 5.084 1.00 0.00 C ATOM 90 CD ARG A 6 -2.121 9.700 5.657 1.00 0.00 C ATOM 91 NE ARG A 6 -1.492 10.803 6.436 1.00 0.00 N ATOM 92 CZ ARG A 6 -2.068 11.974 6.492 1.00 0.00 C ATOM 93 NH1 ARG A 6 -3.216 12.110 7.098 1.00 0.00 N ATOM 94 NH2 ARG A 6 -1.495 13.010 5.943 1.00 0.00 N ATOM 95 H ARG A 6 -1.709 6.520 5.253 1.00 0.00 H ATOM 96 HA ARG A 6 -0.928 6.647 2.474 1.00 0.00 H ATOM 97 HB2 ARG A 6 -0.943 9.100 2.945 1.00 0.00 H ATOM 98 HB3 ARG A 6 -2.376 8.302 3.596 1.00 0.00 H ATOM 99 HG2 ARG A 6 -0.737 8.061 5.728 1.00 0.00 H ATOM 100 HG3 ARG A 6 -0.076 9.536 5.028 1.00 0.00 H ATOM 101 HD2 ARG A 6 -2.729 10.099 4.856 1.00 0.00 H ATOM 102 HD3 ARG A 6 -2.714 9.079 6.309 1.00 0.00 H ATOM 103 HE ARG A 6 -0.646 10.650 6.907 1.00 0.00 H ATOM 104 HH11 ARG A 6 -3.655 11.317 7.520 1.00 0.00 H ATOM 105 HH12 ARG A 6 -3.656 13.006 7.138 1.00 0.00 H ATOM 106 HH21 ARG A 6 -0.614 12.909 5.480 1.00 0.00 H ATOM 107 HH22 ARG A 6 -1.937 13.907 5.985 1.00 0.00 H ATOM 108 N GLY A 7 1.382 6.978 4.744 1.00 0.00 N ATOM 109 CA GLY A 7 2.854 7.047 4.949 1.00 0.00 C ATOM 110 C GLY A 7 3.357 5.642 5.266 1.00 0.00 C ATOM 111 O GLY A 7 4.134 5.443 6.177 1.00 0.00 O ATOM 112 H GLY A 7 0.793 6.793 5.505 1.00 0.00 H ATOM 113 HA2 GLY A 7 3.339 7.417 4.052 1.00 0.00 H ATOM 114 HA3 GLY A 7 3.077 7.702 5.778 1.00 0.00 H ATOM 115 N ASP A 8 2.914 4.662 4.523 1.00 0.00 N ATOM 116 CA ASP A 8 3.365 3.264 4.796 1.00 0.00 C ATOM 117 C ASP A 8 4.787 3.054 4.277 1.00 0.00 C ATOM 118 O ASP A 8 5.232 3.713 3.358 1.00 0.00 O ATOM 119 CB ASP A 8 2.398 2.370 4.026 1.00 0.00 C ATOM 120 CG ASP A 8 2.432 2.751 2.545 1.00 0.00 C ATOM 121 OD1 ASP A 8 1.757 3.700 2.182 1.00 0.00 O ATOM 122 OD2 ASP A 8 3.140 2.094 1.799 1.00 0.00 O ATOM 123 H ASP A 8 2.271 4.841 3.796 1.00 0.00 H ATOM 124 HA ASP A 8 3.308 3.045 5.852 1.00 0.00 H ATOM 125 HB2 ASP A 8 2.696 1.337 4.140 1.00 0.00 H ATOM 126 HB3 ASP A 8 1.397 2.500 4.409 1.00 0.00 H ATOM 127 N TRP A 9 5.499 2.136 4.866 1.00 0.00 N ATOM 128 CA TRP A 9 6.893 1.869 4.421 1.00 0.00 C ATOM 129 C TRP A 9 6.958 0.620 3.535 1.00 0.00 C ATOM 130 O TRP A 9 7.041 0.699 2.325 1.00 0.00 O ATOM 131 CB TRP A 9 7.682 1.681 5.713 1.00 0.00 C ATOM 132 CG TRP A 9 8.684 2.790 5.812 1.00 0.00 C ATOM 133 CD1 TRP A 9 9.983 2.701 5.444 1.00 0.00 C ATOM 134 CD2 TRP A 9 8.483 4.164 6.263 1.00 0.00 C ATOM 135 NE1 TRP A 9 10.598 3.916 5.675 1.00 0.00 N ATOM 136 CE2 TRP A 9 9.718 4.850 6.178 1.00 0.00 C ATOM 137 CE3 TRP A 9 7.367 4.869 6.745 1.00 0.00 C ATOM 138 CZ2 TRP A 9 9.842 6.187 6.557 1.00 0.00 C ATOM 139 CZ3 TRP A 9 7.485 6.215 7.125 1.00 0.00 C ATOM 140 CH2 TRP A 9 8.721 6.873 7.034 1.00 0.00 C ATOM 141 H TRP A 9 5.114 1.617 5.601 1.00 0.00 H ATOM 142 HA TRP A 9 7.284 2.714 3.895 1.00 0.00 H ATOM 143 HB2 TRP A 9 7.008 1.716 6.560 1.00 0.00 H ATOM 144 HB3 TRP A 9 8.187 0.726 5.696 1.00 0.00 H ATOM 145 HD1 TRP A 9 10.466 1.827 5.043 1.00 0.00 H ATOM 146 HE1 TRP A 9 11.541 4.109 5.507 1.00 0.00 H ATOM 147 HE3 TRP A 9 6.411 4.375 6.809 1.00 0.00 H ATOM 148 HZ2 TRP A 9 10.796 6.686 6.483 1.00 0.00 H ATOM 149 HZ3 TRP A 9 6.621 6.746 7.492 1.00 0.00 H ATOM 150 HH2 TRP A 9 8.806 7.909 7.327 1.00 0.00 H ATOM 151 N ARG A 10 6.931 -0.528 4.144 1.00 0.00 N ATOM 152 CA ARG A 10 7.001 -1.812 3.378 1.00 0.00 C ATOM 153 C ARG A 10 5.659 -2.142 2.722 1.00 0.00 C ATOM 154 O ARG A 10 4.610 -1.985 3.318 1.00 0.00 O ATOM 155 CB ARG A 10 7.343 -2.865 4.428 1.00 0.00 C ATOM 156 CG ARG A 10 8.782 -2.664 4.902 1.00 0.00 C ATOM 157 CD ARG A 10 9.263 -3.923 5.625 1.00 0.00 C ATOM 158 NE ARG A 10 10.394 -3.465 6.477 1.00 0.00 N ATOM 159 CZ ARG A 10 10.668 -4.092 7.589 1.00 0.00 C ATOM 160 NH1 ARG A 10 10.982 -5.359 7.563 1.00 0.00 N ATOM 161 NH2 ARG A 10 10.629 -3.452 8.726 1.00 0.00 N ATOM 162 H ARG A 10 6.868 -0.543 5.118 1.00 0.00 H ATOM 163 HA ARG A 10 7.785 -1.768 2.637 1.00 0.00 H ATOM 164 HB2 ARG A 10 6.670 -2.766 5.267 1.00 0.00 H ATOM 165 HB3 ARG A 10 7.241 -3.850 3.997 1.00 0.00 H ATOM 166 HG2 ARG A 10 9.418 -2.471 4.049 1.00 0.00 H ATOM 167 HG3 ARG A 10 8.823 -1.824 5.578 1.00 0.00 H ATOM 168 HD2 ARG A 10 8.468 -4.329 6.236 1.00 0.00 H ATOM 169 HD3 ARG A 10 9.607 -4.657 4.914 1.00 0.00 H ATOM 170 HE ARG A 10 10.934 -2.695 6.204 1.00 0.00 H ATOM 171 HH11 ARG A 10 11.012 -5.848 6.692 1.00 0.00 H ATOM 172 HH12 ARG A 10 11.191 -5.839 8.415 1.00 0.00 H ATOM 173 HH21 ARG A 10 10.389 -2.481 8.744 1.00 0.00 H ATOM 174 HH22 ARG A 10 10.838 -3.933 9.577 1.00 0.00 H ATOM 175 N GLN A 11 5.685 -2.608 1.503 1.00 0.00 N ATOM 176 CA GLN A 11 4.412 -2.966 0.813 1.00 0.00 C ATOM 177 C GLN A 11 4.037 -4.425 1.098 1.00 0.00 C ATOM 178 O GLN A 11 4.586 -5.339 0.515 1.00 0.00 O ATOM 179 CB GLN A 11 4.699 -2.758 -0.672 1.00 0.00 C ATOM 180 CG GLN A 11 4.673 -1.260 -0.978 1.00 0.00 C ATOM 181 CD GLN A 11 5.293 -1.002 -2.352 1.00 0.00 C ATOM 182 OE1 GLN A 11 4.996 -1.695 -3.306 1.00 0.00 O ATOM 183 NE2 GLN A 11 6.148 -0.028 -2.494 1.00 0.00 N ATOM 184 H GLN A 11 6.541 -2.736 1.044 1.00 0.00 H ATOM 185 HA GLN A 11 3.619 -2.308 1.129 1.00 0.00 H ATOM 186 HB2 GLN A 11 5.674 -3.160 -0.912 1.00 0.00 H ATOM 187 HB3 GLN A 11 3.945 -3.258 -1.261 1.00 0.00 H ATOM 188 HG2 GLN A 11 3.650 -0.911 -0.973 1.00 0.00 H ATOM 189 HG3 GLN A 11 5.237 -0.730 -0.226 1.00 0.00 H ATOM 190 HE21 GLN A 11 6.386 0.530 -1.724 1.00 0.00 H ATOM 191 HE22 GLN A 11 6.551 0.148 -3.369 1.00 0.00 H ATOM 192 N CYS A 12 3.102 -4.654 1.985 1.00 0.00 N ATOM 193 CA CYS A 12 2.692 -6.058 2.292 1.00 0.00 C ATOM 194 C CYS A 12 1.699 -6.557 1.238 1.00 0.00 C ATOM 195 O CYS A 12 1.426 -5.879 0.269 1.00 0.00 O ATOM 196 CB CYS A 12 2.030 -6.000 3.669 1.00 0.00 C ATOM 197 SG CYS A 12 3.308 -5.976 4.952 1.00 0.00 S ATOM 198 H CYS A 12 2.667 -3.906 2.446 1.00 0.00 H ATOM 199 HA CYS A 12 3.557 -6.701 2.324 1.00 0.00 H ATOM 200 HB2 CYS A 12 1.426 -5.108 3.744 1.00 0.00 H ATOM 201 HB3 CYS A 12 1.405 -6.871 3.804 1.00 0.00 H HETATM 202 N NH2 A 13 1.138 -7.726 1.391 1.00 0.00 N HETATM 203 HN1 NH2 A 13 1.356 -8.277 2.172 1.00 0.00 H HETATM 204 HN2 NH2 A 13 0.500 -8.053 0.724 1.00 0.00 H TER 205 NH2 A 13