HETATM 1 N PCA A 1 -4.818 5.787 -3.033 1.00 1.79 N HETATM 2 CA PCA A 1 -5.773 4.699 -2.888 1.00 0.87 C HETATM 3 CB PCA A 1 -6.917 5.022 -3.874 1.00 2.86 C HETATM 4 CG PCA A 1 -6.352 6.133 -4.767 1.00 3.56 C HETATM 5 CD PCA A 1 -5.138 6.628 -4.009 1.00 2.79 C HETATM 6 OE PCA A 1 -4.543 7.668 -4.274 1.00 4.40 O HETATM 7 C PCA A 1 -5.162 3.320 -3.154 1.00 0.70 C HETATM 8 O PCA A 1 -5.873 2.320 -3.091 1.00 0.82 O HETATM 9 H1 PCA A 1 -4.083 5.976 -2.369 1.00 3.24 H HETATM 10 HA PCA A 1 -6.166 4.702 -1.873 1.00 2.41 H HETATM 11 HB2 PCA A 1 -7.775 5.403 -3.319 1.00 3.61 H HETATM 12 HB3 PCA A 1 -7.212 4.156 -4.469 1.00 4.13 H HETATM 13 HG2 PCA A 1 -7.083 6.931 -4.905 1.00 4.26 H HETATM 14 HG3 PCA A 1 -6.038 5.725 -5.728 1.00 5.01 H ATOM 15 N HIS A 2 -3.864 3.243 -3.456 1.00 0.50 N ATOM 16 CA HIS A 2 -3.204 2.002 -3.826 1.00 0.44 C ATOM 17 C HIS A 2 -1.718 2.320 -3.877 1.00 0.29 C ATOM 18 O HIS A 2 -1.199 2.762 -4.896 1.00 0.30 O ATOM 19 CB HIS A 2 -3.727 1.487 -5.181 1.00 0.52 C ATOM 20 CG HIS A 2 -2.979 0.318 -5.788 1.00 0.55 C ATOM 21 ND1 HIS A 2 -3.158 -0.152 -7.070 1.00 0.68 N ATOM 22 CD2 HIS A 2 -2.004 -0.449 -5.206 1.00 0.63 C ATOM 23 CE1 HIS A 2 -2.305 -1.175 -7.252 1.00 0.69 C ATOM 24 NE2 HIS A 2 -1.587 -1.398 -6.140 1.00 0.69 N ATOM 25 H HIS A 2 -3.269 4.058 -3.376 1.00 0.46 H ATOM 26 HA HIS A 2 -3.396 1.249 -3.061 1.00 0.50 H ATOM 27 HB2 HIS A 2 -4.766 1.177 -5.061 1.00 0.63 H ATOM 28 HB3 HIS A 2 -3.707 2.307 -5.899 1.00 0.49 H ATOM 29 HD1 HIS A 2 -3.801 0.215 -7.756 1.00 0.82 H ATOM 30 HD2 HIS A 2 -1.603 -0.346 -4.210 1.00 0.74 H ATOM 31 HE1 HIS A 2 -2.204 -1.741 -8.168 1.00 0.79 H ATOM 32 N TRP A 3 -1.036 2.126 -2.755 1.00 0.23 N ATOM 33 CA TRP A 3 0.385 2.372 -2.641 1.00 0.20 C ATOM 34 C TRP A 3 0.933 1.468 -1.550 1.00 0.21 C ATOM 35 O TRP A 3 0.172 0.721 -0.928 1.00 0.29 O ATOM 36 CB TRP A 3 0.604 3.879 -2.426 1.00 0.21 C ATOM 37 CG TRP A 3 1.325 4.351 -1.207 1.00 0.27 C ATOM 38 CD1 TRP A 3 0.763 4.682 -0.026 1.00 0.29 C ATOM 39 CD2 TRP A 3 2.749 4.588 -1.049 1.00 0.39 C ATOM 40 NE1 TRP A 3 1.744 5.122 0.841 1.00 0.36 N ATOM 41 CE2 TRP A 3 2.994 5.088 0.259 1.00 0.43 C ATOM 42 CE3 TRP A 3 3.856 4.386 -1.887 1.00 0.53 C ATOM 43 CZ2 TRP A 3 4.289 5.383 0.714 1.00 0.57 C ATOM 44 CZ3 TRP A 3 5.159 4.698 -1.456 1.00 0.70 C ATOM 45 CH2 TRP A 3 5.377 5.189 -0.156 1.00 0.71 C ATOM 46 H TRP A 3 -1.488 1.806 -1.912 1.00 0.25 H ATOM 47 HA TRP A 3 0.883 2.077 -3.561 1.00 0.28 H ATOM 48 HB2 TRP A 3 1.137 4.251 -3.298 1.00 0.26 H ATOM 49 HB3 TRP A 3 -0.356 4.382 -2.433 1.00 0.21 H ATOM 50 HD1 TRP A 3 -0.294 4.622 0.184 1.00 0.31 H ATOM 51 HE1 TRP A 3 1.569 5.411 1.789 1.00 0.40 H ATOM 52 HE3 TRP A 3 3.668 3.938 -2.851 1.00 0.51 H ATOM 53 HZ2 TRP A 3 4.450 5.728 1.723 1.00 0.60 H ATOM 54 HZ3 TRP A 3 6.000 4.520 -2.111 1.00 0.82 H ATOM 55 HH2 TRP A 3 6.382 5.395 0.183 1.00 0.83 H ATOM 56 N SER A 4 2.247 1.500 -1.342 1.00 0.26 N ATOM 57 CA SER A 4 2.857 0.841 -0.205 1.00 0.28 C ATOM 58 C SER A 4 2.545 1.656 1.037 1.00 0.22 C ATOM 59 O SER A 4 3.356 2.468 1.475 1.00 0.27 O ATOM 60 CB SER A 4 4.365 0.648 -0.391 1.00 0.38 C ATOM 61 OG SER A 4 4.989 1.860 -0.739 1.00 2.52 O ATOM 62 H SER A 4 2.787 2.178 -1.849 1.00 0.32 H ATOM 63 HA SER A 4 2.386 -0.125 -0.099 1.00 0.33 H ATOM 64 HB2 SER A 4 4.798 0.261 0.533 1.00 2.01 H ATOM 65 HB3 SER A 4 4.551 -0.071 -1.184 1.00 1.76 H ATOM 66 HG SER A 4 4.814 2.500 -0.033 1.00 3.17 H ATOM 67 N TYR A 5 1.337 1.457 1.555 1.00 0.20 N ATOM 68 CA TYR A 5 0.841 2.109 2.743 1.00 0.20 C ATOM 69 C TYR A 5 1.565 1.506 3.955 1.00 0.17 C ATOM 70 O TYR A 5 2.708 1.069 3.861 1.00 0.16 O ATOM 71 CB TYR A 5 -0.684 1.926 2.758 1.00 0.29 C ATOM 72 CG TYR A 5 -1.429 2.921 3.630 1.00 0.37 C ATOM 73 CD1 TYR A 5 -1.302 4.299 3.375 1.00 1.59 C ATOM 74 CD2 TYR A 5 -2.252 2.477 4.683 1.00 1.61 C ATOM 75 CE1 TYR A 5 -1.982 5.238 4.169 1.00 1.63 C ATOM 76 CE2 TYR A 5 -2.932 3.411 5.485 1.00 1.65 C ATOM 77 CZ TYR A 5 -2.803 4.795 5.232 1.00 0.62 C ATOM 78 OH TYR A 5 -3.476 5.686 6.011 1.00 0.76 O ATOM 79 H TYR A 5 0.732 0.797 1.090 1.00 0.23 H ATOM 80 HA TYR A 5 1.062 3.170 2.666 1.00 0.22 H ATOM 81 HB2 TYR A 5 -1.049 2.057 1.737 1.00 0.31 H ATOM 82 HB3 TYR A 5 -0.919 0.904 3.051 1.00 0.33 H ATOM 83 HD1 TYR A 5 -0.688 4.649 2.561 1.00 2.76 H ATOM 84 HD2 TYR A 5 -2.378 1.421 4.878 1.00 2.77 H ATOM 85 HE1 TYR A 5 -1.876 6.292 3.958 1.00 2.78 H ATOM 86 HE2 TYR A 5 -3.567 3.078 6.293 1.00 2.81 H ATOM 87 HH TYR A 5 -3.349 6.602 5.754 1.00 1.36 H ATOM 88 N GLY A 6 0.900 1.388 5.098 1.00 0.21 N ATOM 89 CA GLY A 6 1.482 0.714 6.255 1.00 0.18 C ATOM 90 C GLY A 6 1.443 -0.815 6.136 1.00 0.22 C ATOM 91 O GLY A 6 1.268 -1.493 7.143 1.00 0.46 O ATOM 92 H GLY A 6 -0.030 1.765 5.144 1.00 0.30 H ATOM 93 HA2 GLY A 6 2.521 1.027 6.377 1.00 0.19 H ATOM 94 HA3 GLY A 6 0.932 1.006 7.150 1.00 0.28 H ATOM 95 N LEU A 7 1.577 -1.369 4.925 1.00 0.19 N ATOM 96 CA LEU A 7 1.612 -2.790 4.632 1.00 0.25 C ATOM 97 C LEU A 7 2.104 -2.945 3.188 1.00 0.23 C ATOM 98 O LEU A 7 2.717 -2.037 2.630 1.00 0.30 O ATOM 99 CB LEU A 7 0.228 -3.428 4.869 1.00 0.41 C ATOM 100 CG LEU A 7 -0.872 -2.912 3.922 1.00 0.49 C ATOM 101 CD1 LEU A 7 -1.821 -4.057 3.556 1.00 0.69 C ATOM 102 CD2 LEU A 7 -1.695 -1.794 4.564 1.00 0.58 C ATOM 103 H LEU A 7 1.818 -0.804 4.123 1.00 0.30 H ATOM 104 HA LEU A 7 2.342 -3.272 5.279 1.00 0.33 H ATOM 105 HB2 LEU A 7 0.330 -4.508 4.761 1.00 0.48 H ATOM 106 HB3 LEU A 7 -0.079 -3.265 5.902 1.00 0.49 H ATOM 107 HG LEU A 7 -0.422 -2.523 3.010 1.00 0.45 H ATOM 108 HD11 LEU A 7 -2.392 -4.363 4.432 1.00 1.55 H ATOM 109 HD12 LEU A 7 -2.506 -3.726 2.774 1.00 1.51 H ATOM 110 HD13 LEU A 7 -1.259 -4.911 3.188 1.00 1.40 H ATOM 111 HD21 LEU A 7 -2.483 -1.481 3.879 1.00 1.51 H ATOM 112 HD22 LEU A 7 -2.148 -2.148 5.491 1.00 1.66 H ATOM 113 HD23 LEU A 7 -1.058 -0.941 4.784 1.00 1.69 H ATOM 114 N ARG A 8 1.834 -4.096 2.575 1.00 0.30 N ATOM 115 CA ARG A 8 2.242 -4.389 1.207 1.00 0.35 C ATOM 116 C ARG A 8 1.763 -3.318 0.223 1.00 0.27 C ATOM 117 O ARG A 8 0.670 -2.773 0.382 1.00 0.27 O ATOM 118 CB ARG A 8 1.718 -5.777 0.793 1.00 0.52 C ATOM 119 CG ARG A 8 0.188 -5.890 0.957 1.00 0.87 C ATOM 120 CD ARG A 8 -0.507 -6.546 -0.244 1.00 1.28 C ATOM 121 NE ARG A 8 -1.900 -6.079 -0.375 1.00 1.21 N ATOM 122 CZ ARG A 8 -2.961 -6.474 0.339 1.00 1.86 C ATOM 123 NH1 ARG A 8 -2.835 -7.412 1.279 1.00 2.67 N ATOM 124 NH2 ARG A 8 -4.150 -5.921 0.108 1.00 2.20 N ATOM 125 H ARG A 8 1.316 -4.787 3.086 1.00 0.37 H ATOM 126 HA ARG A 8 3.329 -4.382 1.197 1.00 0.42 H ATOM 127 HB2 ARG A 8 1.995 -5.956 -0.246 1.00 0.73 H ATOM 128 HB3 ARG A 8 2.199 -6.542 1.403 1.00 0.74 H ATOM 129 HG2 ARG A 8 -0.031 -6.461 1.860 1.00 1.08 H ATOM 130 HG3 ARG A 8 -0.242 -4.901 1.087 1.00 1.18 H ATOM 131 HD2 ARG A 8 0.019 -6.267 -1.157 1.00 1.88 H ATOM 132 HD3 ARG A 8 -0.471 -7.632 -0.149 1.00 1.65 H ATOM 133 HE ARG A 8 -2.052 -5.353 -1.066 1.00 1.40 H ATOM 134 HH11 ARG A 8 -1.936 -7.838 1.442 1.00 2.58 H ATOM 135 HH12 ARG A 8 -3.619 -7.722 1.830 1.00 3.51 H ATOM 136 HH21 ARG A 8 -4.229 -5.186 -0.590 1.00 1.90 H ATOM 137 HH22 ARG A 8 -4.985 -6.183 0.607 1.00 2.97 H ATOM 138 N PRO A 9 2.524 -3.060 -0.850 1.00 0.31 N ATOM 139 CA PRO A 9 2.014 -2.285 -1.956 1.00 0.36 C ATOM 140 C PRO A 9 0.893 -3.064 -2.625 1.00 0.52 C ATOM 141 O PRO A 9 1.131 -4.033 -3.341 1.00 1.16 O ATOM 142 CB PRO A 9 3.185 -2.030 -2.904 1.00 0.41 C ATOM 143 CG PRO A 9 4.255 -3.047 -2.501 1.00 0.49 C ATOM 144 CD PRO A 9 3.852 -3.573 -1.119 1.00 0.38 C ATOM 145 HA PRO A 9 1.626 -1.344 -1.581 1.00 0.34 H ATOM 146 HB2 PRO A 9 2.897 -2.155 -3.949 1.00 0.59 H ATOM 147 HB3 PRO A 9 3.556 -1.018 -2.760 1.00 0.37 H ATOM 148 HG2 PRO A 9 4.263 -3.869 -3.216 1.00 0.69 H ATOM 149 HG3 PRO A 9 5.233 -2.566 -2.460 1.00 0.60 H ATOM 150 HD2 PRO A 9 3.845 -4.663 -1.129 1.00 0.39 H ATOM 151 HD3 PRO A 9 4.549 -3.206 -0.365 1.00 0.47 H ATOM 152 N GLY A 10 -0.340 -2.648 -2.363 1.00 0.59 N ATOM 153 CA GLY A 10 -1.512 -3.244 -2.970 1.00 0.66 C ATOM 154 C GLY A 10 -2.727 -2.889 -2.135 1.00 0.79 C ATOM 155 O GLY A 10 -3.430 -3.782 -1.665 1.00 0.96 O ATOM 156 H GLY A 10 -0.455 -1.940 -1.647 1.00 1.03 H ATOM 157 HA2 GLY A 10 -1.635 -2.871 -3.985 1.00 0.65 H ATOM 158 HA3 GLY A 10 -1.399 -4.327 -3.010 1.00 0.76 H HETATM 159 N NH2 A 11 -2.943 -1.594 -1.902 1.00 0.88 N HETATM 160 HN1 NH2 A 11 -2.291 -0.901 -2.239 1.00 0.89 H HETATM 161 HN2 NH2 A 11 -3.751 -1.323 -1.360 1.00 1.04 H TER 162 NH2 A 11