HETATM 1 N PCA A 1 -6.637 6.001 -2.955 1.00 1.23 N HETATM 2 CA PCA A 1 -5.219 5.695 -2.986 1.00 0.77 C HETATM 3 CB PCA A 1 -4.659 6.202 -1.644 1.00 1.79 C HETATM 4 CG PCA A 1 -5.903 6.451 -0.783 1.00 2.24 C HETATM 5 CD PCA A 1 -7.046 6.455 -1.779 1.00 1.83 C HETATM 6 OE PCA A 1 -8.187 6.819 -1.509 1.00 2.67 O HETATM 7 C PCA A 1 -4.981 4.199 -3.194 1.00 0.68 C HETATM 8 O PCA A 1 -5.902 3.392 -3.093 1.00 0.83 O HETATM 9 H1 PCA A 1 -7.254 5.833 -3.737 1.00 1.89 H HETATM 10 HA PCA A 1 -4.751 6.243 -3.805 1.00 1.37 H HETATM 11 HB2 PCA A 1 -4.137 7.146 -1.808 1.00 2.16 H HETATM 12 HB3 PCA A 1 -3.991 5.477 -1.175 1.00 2.43 H HETATM 13 HG2 PCA A 1 -5.832 7.405 -0.260 1.00 2.63 H HETATM 14 HG3 PCA A 1 -6.044 5.632 -0.077 1.00 3.00 H ATOM 15 N HIS A 2 -3.735 3.834 -3.498 1.00 0.50 N ATOM 16 CA HIS A 2 -3.323 2.474 -3.807 1.00 0.50 C ATOM 17 C HIS A 2 -1.803 2.531 -3.880 1.00 0.35 C ATOM 18 O HIS A 2 -1.236 2.877 -4.911 1.00 0.32 O ATOM 19 CB HIS A 2 -3.944 2.007 -5.137 1.00 0.59 C ATOM 20 CG HIS A 2 -3.432 0.692 -5.684 1.00 0.69 C ATOM 21 ND1 HIS A 2 -3.713 0.185 -6.934 1.00 0.92 N ATOM 22 CD2 HIS A 2 -2.596 -0.199 -5.064 1.00 0.71 C ATOM 23 CE1 HIS A 2 -3.055 -0.982 -7.056 1.00 1.03 C ATOM 24 NE2 HIS A 2 -2.368 -1.263 -5.937 1.00 0.89 N ATOM 25 H HIS A 2 -2.991 4.518 -3.474 1.00 0.41 H ATOM 26 HA HIS A 2 -3.637 1.804 -3.005 1.00 0.60 H ATOM 27 HB2 HIS A 2 -5.022 1.908 -5.002 1.00 0.74 H ATOM 28 HB3 HIS A 2 -3.774 2.776 -5.892 1.00 0.49 H ATOM 29 HD1 HIS A 2 -4.291 0.620 -7.637 1.00 1.03 H ATOM 30 HD2 HIS A 2 -2.165 -0.094 -4.084 1.00 0.70 H ATOM 31 HE1 HIS A 2 -3.071 -1.608 -7.937 1.00 1.26 H ATOM 32 N TRP A 3 -1.135 2.248 -2.766 1.00 0.27 N ATOM 33 CA TRP A 3 0.310 2.313 -2.674 1.00 0.24 C ATOM 34 C TRP A 3 0.752 1.400 -1.541 1.00 0.27 C ATOM 35 O TRP A 3 -0.087 0.797 -0.868 1.00 0.29 O ATOM 36 CB TRP A 3 0.730 3.788 -2.534 1.00 0.19 C ATOM 37 CG TRP A 3 1.557 4.212 -1.361 1.00 0.25 C ATOM 38 CD1 TRP A 3 1.077 4.699 -0.198 1.00 0.27 C ATOM 39 CD2 TRP A 3 3.006 4.201 -1.221 1.00 0.40 C ATOM 40 NE1 TRP A 3 2.129 5.018 0.636 1.00 0.38 N ATOM 41 CE2 TRP A 3 3.347 4.727 0.057 1.00 0.44 C ATOM 42 CE3 TRP A 3 4.059 3.747 -2.035 1.00 0.54 C ATOM 43 CZ2 TRP A 3 4.674 4.801 0.505 1.00 0.59 C ATOM 44 CZ3 TRP A 3 5.395 3.806 -1.598 1.00 0.70 C ATOM 45 CH2 TRP A 3 5.702 4.330 -0.329 1.00 0.71 C ATOM 46 H TRP A 3 -1.607 1.991 -1.913 1.00 0.30 H ATOM 47 HA TRP A 3 0.750 1.912 -3.583 1.00 0.34 H ATOM 48 HB2 TRP A 3 1.267 4.054 -3.441 1.00 0.27 H ATOM 49 HB3 TRP A 3 -0.159 4.409 -2.526 1.00 0.16 H ATOM 50 HD1 TRP A 3 0.029 4.823 0.027 1.00 0.31 H ATOM 51 HE1 TRP A 3 2.016 5.378 1.569 1.00 0.44 H ATOM 52 HE3 TRP A 3 3.811 3.325 -2.995 1.00 0.56 H ATOM 53 HZ2 TRP A 3 4.897 5.169 1.494 1.00 0.63 H ATOM 54 HZ3 TRP A 3 6.189 3.438 -2.231 1.00 0.83 H ATOM 55 HH2 TRP A 3 6.727 4.355 0.014 1.00 0.84 H ATOM 56 N SER A 4 2.063 1.269 -1.349 1.00 0.32 N ATOM 57 CA SER A 4 2.599 0.585 -0.191 1.00 0.40 C ATOM 58 C SER A 4 2.400 1.477 1.019 1.00 0.27 C ATOM 59 O SER A 4 3.290 2.220 1.416 1.00 0.29 O ATOM 60 CB SER A 4 4.078 0.220 -0.377 1.00 0.60 C ATOM 61 OG SER A 4 4.357 -0.989 0.301 1.00 1.61 O ATOM 62 H SER A 4 2.674 1.845 -1.901 1.00 0.33 H ATOM 63 HA SER A 4 2.010 -0.316 -0.053 1.00 0.50 H ATOM 64 HB2 SER A 4 4.293 0.088 -1.436 1.00 1.25 H ATOM 65 HB3 SER A 4 4.728 1.015 -0.010 1.00 0.75 H ATOM 66 HG SER A 4 4.078 -0.921 1.227 1.00 2.24 H ATOM 67 N TYR A 5 1.198 1.417 1.579 1.00 0.25 N ATOM 68 CA TYR A 5 0.827 2.167 2.756 1.00 0.22 C ATOM 69 C TYR A 5 1.574 1.585 3.965 1.00 0.19 C ATOM 70 O TYR A 5 2.712 1.136 3.860 1.00 0.17 O ATOM 71 CB TYR A 5 -0.704 2.124 2.860 1.00 0.38 C ATOM 72 CG TYR A 5 -1.309 3.232 3.701 1.00 0.50 C ATOM 73 CD1 TYR A 5 -1.031 4.576 3.383 1.00 1.80 C ATOM 74 CD2 TYR A 5 -2.160 2.931 4.782 1.00 1.47 C ATOM 75 CE1 TYR A 5 -1.588 5.616 4.144 1.00 1.94 C ATOM 76 CE2 TYR A 5 -2.725 3.968 5.548 1.00 1.46 C ATOM 77 CZ TYR A 5 -2.439 5.318 5.229 1.00 0.83 C ATOM 78 OH TYR A 5 -2.983 6.338 5.949 1.00 1.01 O ATOM 79 H TYR A 5 0.509 0.831 1.131 1.00 0.34 H ATOM 80 HA TYR A 5 1.137 3.197 2.612 1.00 0.23 H ATOM 81 HB2 TYR A 5 -1.113 2.227 1.854 1.00 0.39 H ATOM 82 HB3 TYR A 5 -1.012 1.146 3.228 1.00 0.46 H ATOM 83 HD1 TYR A 5 -0.398 4.820 2.545 1.00 2.92 H ATOM 84 HD2 TYR A 5 -2.401 1.905 5.022 1.00 2.64 H ATOM 85 HE1 TYR A 5 -1.376 6.647 3.900 1.00 3.12 H ATOM 86 HE2 TYR A 5 -3.381 3.725 6.370 1.00 2.55 H ATOM 87 HH TYR A 5 -3.581 6.053 6.642 1.00 1.23 H ATOM 88 N GLY A 6 0.938 1.511 5.127 1.00 0.25 N ATOM 89 CA GLY A 6 1.540 0.849 6.282 1.00 0.25 C ATOM 90 C GLY A 6 1.466 -0.680 6.183 1.00 0.27 C ATOM 91 O GLY A 6 1.190 -1.334 7.185 1.00 0.54 O ATOM 92 H GLY A 6 0.019 1.913 5.180 1.00 0.36 H ATOM 93 HA2 GLY A 6 2.588 1.143 6.368 1.00 0.24 H ATOM 94 HA3 GLY A 6 1.021 1.167 7.185 1.00 0.38 H ATOM 95 N LEU A 7 1.679 -1.258 4.995 1.00 0.27 N ATOM 96 CA LEU A 7 1.672 -2.680 4.720 1.00 0.29 C ATOM 97 C LEU A 7 2.249 -2.894 3.313 1.00 0.31 C ATOM 98 O LEU A 7 2.842 -1.992 2.715 1.00 0.37 O ATOM 99 CB LEU A 7 0.244 -3.254 4.867 1.00 0.46 C ATOM 100 CG LEU A 7 -0.757 -2.714 3.828 1.00 0.57 C ATOM 101 CD1 LEU A 7 -1.723 -3.822 3.393 1.00 0.77 C ATOM 102 CD2 LEU A 7 -1.589 -1.561 4.390 1.00 0.73 C ATOM 103 H LEU A 7 1.995 -0.718 4.202 1.00 0.43 H ATOM 104 HA LEU A 7 2.331 -3.178 5.431 1.00 0.38 H ATOM 105 HB2 LEU A 7 0.304 -4.339 4.792 1.00 0.53 H ATOM 106 HB3 LEU A 7 -0.133 -3.050 5.870 1.00 0.56 H ATOM 107 HG LEU A 7 -0.222 -2.351 2.953 1.00 0.54 H ATOM 108 HD11 LEU A 7 -1.175 -4.726 3.139 1.00 1.48 H ATOM 109 HD12 LEU A 7 -2.417 -4.053 4.201 1.00 1.55 H ATOM 110 HD13 LEU A 7 -2.280 -3.493 2.516 1.00 1.86 H ATOM 111 HD21 LEU A 7 -2.267 -1.191 3.620 1.00 1.61 H ATOM 112 HD22 LEU A 7 -2.172 -1.902 5.247 1.00 1.49 H ATOM 113 HD23 LEU A 7 -0.937 -0.751 4.708 1.00 1.88 H ATOM 114 N ARG A 8 2.065 -4.101 2.783 1.00 0.40 N ATOM 115 CA ARG A 8 2.534 -4.495 1.460 1.00 0.50 C ATOM 116 C ARG A 8 1.956 -3.597 0.364 1.00 0.45 C ATOM 117 O ARG A 8 0.814 -3.146 0.472 1.00 0.44 O ATOM 118 CB ARG A 8 2.172 -5.970 1.204 1.00 0.69 C ATOM 119 CG ARG A 8 0.649 -6.212 1.220 1.00 0.79 C ATOM 120 CD ARG A 8 0.082 -6.673 -0.132 1.00 1.20 C ATOM 121 NE ARG A 8 -1.314 -6.233 -0.329 1.00 1.03 N ATOM 122 CZ ARG A 8 -2.385 -6.582 0.398 1.00 1.69 C ATOM 123 NH1 ARG A 8 -2.272 -7.454 1.400 1.00 2.61 N ATOM 124 NH2 ARG A 8 -3.578 -6.058 0.124 1.00 1.99 N ATOM 125 H ARG A 8 1.558 -4.767 3.337 1.00 0.46 H ATOM 126 HA ARG A 8 3.615 -4.375 1.464 1.00 0.54 H ATOM 127 HB2 ARG A 8 2.588 -6.286 0.247 1.00 1.01 H ATOM 128 HB3 ARG A 8 2.635 -6.582 1.980 1.00 0.97 H ATOM 129 HG2 ARG A 8 0.423 -6.960 1.979 1.00 1.02 H ATOM 130 HG3 ARG A 8 0.142 -5.296 1.504 1.00 1.08 H ATOM 131 HD2 ARG A 8 0.680 -6.242 -0.935 1.00 1.83 H ATOM 132 HD3 ARG A 8 0.147 -7.760 -0.205 1.00 1.66 H ATOM 133 HE ARG A 8 -1.451 -5.579 -1.090 1.00 1.29 H ATOM 134 HH11 ARG A 8 -1.383 -7.891 1.582 1.00 2.55 H ATOM 135 HH12 ARG A 8 -3.063 -7.719 1.966 1.00 3.49 H ATOM 136 HH21 ARG A 8 -3.684 -5.418 -0.656 1.00 1.65 H ATOM 137 HH22 ARG A 8 -4.409 -6.282 0.647 1.00 2.80 H ATOM 138 N PRO A 9 2.690 -3.386 -0.733 1.00 0.51 N ATOM 139 CA PRO A 9 2.146 -2.699 -1.881 1.00 0.58 C ATOM 140 C PRO A 9 1.066 -3.562 -2.520 1.00 0.79 C ATOM 141 O PRO A 9 1.345 -4.639 -3.037 1.00 1.51 O ATOM 142 CB PRO A 9 3.311 -2.443 -2.837 1.00 0.63 C ATOM 143 CG PRO A 9 4.449 -3.342 -2.354 1.00 0.68 C ATOM 144 CD PRO A 9 4.051 -3.835 -0.961 1.00 0.59 C ATOM 145 HA PRO A 9 1.718 -1.751 -1.565 1.00 0.53 H ATOM 146 HB2 PRO A 9 3.043 -2.670 -3.871 1.00 0.90 H ATOM 147 HB3 PRO A 9 3.612 -1.401 -2.769 1.00 0.50 H ATOM 148 HG2 PRO A 9 4.557 -4.192 -3.028 1.00 0.95 H ATOM 149 HG3 PRO A 9 5.376 -2.771 -2.307 1.00 0.72 H ATOM 150 HD2 PRO A 9 4.102 -4.923 -0.927 1.00 0.60 H ATOM 151 HD3 PRO A 9 4.718 -3.406 -0.213 1.00 0.64 H ATOM 152 N GLY A 10 -0.172 -3.079 -2.486 1.00 0.62 N ATOM 153 CA GLY A 10 -1.267 -3.665 -3.237 1.00 0.77 C ATOM 154 C GLY A 10 -2.574 -3.368 -2.529 1.00 0.93 C ATOM 155 O GLY A 10 -3.274 -4.290 -2.120 1.00 1.09 O ATOM 156 H GLY A 10 -0.349 -2.257 -1.925 1.00 0.97 H ATOM 157 HA2 GLY A 10 -1.289 -3.243 -4.242 1.00 0.84 H ATOM 158 HA3 GLY A 10 -1.135 -4.746 -3.313 1.00 0.87 H HETATM 159 N NH2 A 11 -2.881 -2.091 -2.319 1.00 1.03 N HETATM 160 HN1 NH2 A 11 -2.246 -1.367 -2.618 1.00 1.01 H HETATM 161 HN2 NH2 A 11 -3.750 -1.860 -1.863 1.00 1.23 H TER 162 NH2 A 11