HETATM 1 N PCA A 1 -6.442 4.938 -2.997 1.00 1.30 N HETATM 2 CA PCA A 1 -5.327 4.416 -2.227 1.00 1.23 C HETATM 3 CB PCA A 1 -5.862 4.241 -0.793 1.00 2.34 C HETATM 4 CG PCA A 1 -7.381 4.397 -0.925 1.00 2.70 C HETATM 5 CD PCA A 1 -7.570 5.000 -2.303 1.00 2.04 C HETATM 6 OE PCA A 1 -8.629 5.474 -2.702 1.00 2.72 O HETATM 7 C PCA A 1 -4.829 3.100 -2.820 1.00 0.94 C HETATM 8 O PCA A 1 -5.553 2.109 -2.836 1.00 1.06 O HETATM 9 H1 PCA A 1 -6.363 5.248 -3.955 1.00 1.68 H HETATM 10 HA PCA A 1 -4.518 5.146 -2.223 1.00 1.66 H HETATM 11 HB2 PCA A 1 -5.466 5.038 -0.163 1.00 2.79 H HETATM 12 HB3 PCA A 1 -5.601 3.268 -0.374 1.00 2.89 H HETATM 13 HG2 PCA A 1 -7.774 5.056 -0.150 1.00 3.21 H HETATM 14 HG3 PCA A 1 -7.868 3.423 -0.888 1.00 3.34 H ATOM 15 N HIS A 2 -3.582 3.090 -3.295 1.00 0.63 N ATOM 16 CA HIS A 2 -2.922 1.913 -3.830 1.00 0.53 C ATOM 17 C HIS A 2 -1.451 2.287 -3.939 1.00 0.34 C ATOM 18 O HIS A 2 -0.984 2.776 -4.962 1.00 0.27 O ATOM 19 CB HIS A 2 -3.547 1.529 -5.184 1.00 0.51 C ATOM 20 CG HIS A 2 -2.751 0.577 -6.045 1.00 0.60 C ATOM 21 ND1 HIS A 2 -2.763 0.552 -7.422 1.00 0.76 N ATOM 22 CD2 HIS A 2 -1.874 -0.385 -5.623 1.00 0.81 C ATOM 23 CE1 HIS A 2 -1.911 -0.410 -7.816 1.00 1.04 C ATOM 24 NE2 HIS A 2 -1.353 -1.017 -6.756 1.00 1.06 N ATOM 25 H HIS A 2 -3.008 3.922 -3.247 1.00 0.51 H ATOM 26 HA HIS A 2 -3.017 1.090 -3.117 1.00 0.71 H ATOM 27 HB2 HIS A 2 -4.523 1.078 -5.000 1.00 0.73 H ATOM 28 HB3 HIS A 2 -3.707 2.442 -5.760 1.00 0.48 H ATOM 29 HD1 HIS A 2 -3.290 1.167 -8.023 1.00 0.79 H ATOM 30 HD2 HIS A 2 -1.609 -0.597 -4.601 1.00 0.89 H ATOM 31 HE1 HIS A 2 -1.692 -0.656 -8.846 1.00 1.30 H ATOM 32 N TRP A 3 -0.743 2.132 -2.827 1.00 0.34 N ATOM 33 CA TRP A 3 0.667 2.420 -2.714 1.00 0.32 C ATOM 34 C TRP A 3 1.196 1.624 -1.536 1.00 0.40 C ATOM 35 O TRP A 3 0.416 1.029 -0.791 1.00 0.46 O ATOM 36 CB TRP A 3 0.862 3.938 -2.560 1.00 0.24 C ATOM 37 CG TRP A 3 1.588 4.447 -1.352 1.00 0.27 C ATOM 38 CD1 TRP A 3 1.026 4.768 -0.167 1.00 0.24 C ATOM 39 CD2 TRP A 3 3.016 4.652 -1.176 1.00 0.40 C ATOM 40 NE1 TRP A 3 2.003 5.202 0.708 1.00 0.32 N ATOM 41 CE2 TRP A 3 3.258 5.136 0.140 1.00 0.41 C ATOM 42 CE3 TRP A 3 4.132 4.418 -1.996 1.00 0.53 C ATOM 43 CZ2 TRP A 3 4.553 5.394 0.613 1.00 0.53 C ATOM 44 CZ3 TRP A 3 5.439 4.667 -1.536 1.00 0.66 C ATOM 45 CH2 TRP A 3 5.649 5.153 -0.232 1.00 0.65 C ATOM 46 H TRP A 3 -1.155 1.752 -1.990 1.00 0.42 H ATOM 47 HA TRP A 3 1.182 2.067 -3.606 1.00 0.37 H ATOM 48 HB2 TRP A 3 1.384 4.280 -3.447 1.00 0.27 H ATOM 49 HB3 TRP A 3 -0.106 4.425 -2.576 1.00 0.20 H ATOM 50 HD1 TRP A 3 -0.028 4.688 0.040 1.00 0.23 H ATOM 51 HE1 TRP A 3 1.826 5.496 1.655 1.00 0.34 H ATOM 52 HE3 TRP A 3 3.942 4.023 -2.980 1.00 0.55 H ATOM 53 HZ2 TRP A 3 4.707 5.734 1.627 1.00 0.55 H ATOM 54 HZ3 TRP A 3 6.286 4.475 -2.179 1.00 0.77 H ATOM 55 HH2 TRP A 3 6.653 5.326 0.128 1.00 0.76 H ATOM 56 N SER A 4 2.517 1.629 -1.384 1.00 0.46 N ATOM 57 CA SER A 4 3.241 1.047 -0.269 1.00 0.58 C ATOM 58 C SER A 4 2.921 1.786 1.018 1.00 0.48 C ATOM 59 O SER A 4 3.722 2.568 1.519 1.00 0.47 O ATOM 60 CB SER A 4 4.749 1.060 -0.554 1.00 0.75 C ATOM 61 OG SER A 4 5.429 0.279 0.403 1.00 1.62 O ATOM 62 H SER A 4 3.020 2.200 -2.038 1.00 0.44 H ATOM 63 HA SER A 4 2.889 0.030 -0.151 1.00 0.67 H ATOM 64 HB2 SER A 4 4.943 0.653 -1.546 1.00 1.17 H ATOM 65 HB3 SER A 4 5.124 2.083 -0.521 1.00 1.38 H ATOM 66 HG SER A 4 5.346 0.724 1.255 1.00 2.13 H ATOM 67 N TYR A 5 1.735 1.511 1.541 1.00 0.44 N ATOM 68 CA TYR A 5 1.192 2.143 2.713 1.00 0.37 C ATOM 69 C TYR A 5 1.874 1.543 3.949 1.00 0.31 C ATOM 70 O TYR A 5 3.015 1.094 3.896 1.00 0.29 O ATOM 71 CB TYR A 5 -0.331 1.937 2.664 1.00 0.44 C ATOM 72 CG TYR A 5 -1.131 2.899 3.523 1.00 0.44 C ATOM 73 CD1 TYR A 5 -0.976 4.286 3.346 1.00 2.11 C ATOM 74 CD2 TYR A 5 -2.025 2.414 4.497 1.00 1.92 C ATOM 75 CE1 TYR A 5 -1.689 5.193 4.149 1.00 2.08 C ATOM 76 CE2 TYR A 5 -2.743 3.315 5.304 1.00 2.00 C ATOM 77 CZ TYR A 5 -2.575 4.708 5.137 1.00 0.60 C ATOM 78 OH TYR A 5 -3.273 5.568 5.931 1.00 0.73 O ATOM 79 H TYR A 5 1.154 0.847 1.054 1.00 0.49 H ATOM 80 HA TYR A 5 1.411 3.203 2.646 1.00 0.36 H ATOM 81 HB2 TYR A 5 -0.656 2.079 1.633 1.00 0.49 H ATOM 82 HB3 TYR A 5 -0.558 0.903 2.928 1.00 0.49 H ATOM 83 HD1 TYR A 5 -0.310 4.667 2.588 1.00 3.62 H ATOM 84 HD2 TYR A 5 -2.176 1.353 4.627 1.00 3.38 H ATOM 85 HE1 TYR A 5 -1.555 6.255 4.001 1.00 3.55 H ATOM 86 HE2 TYR A 5 -3.431 2.951 6.053 1.00 3.50 H ATOM 87 HH TYR A 5 -3.080 6.494 5.766 1.00 1.33 H ATOM 88 N GLY A 6 1.163 1.450 5.067 1.00 0.32 N ATOM 89 CA GLY A 6 1.694 0.805 6.262 1.00 0.29 C ATOM 90 C GLY A 6 1.708 -0.723 6.153 1.00 0.31 C ATOM 91 O GLY A 6 1.946 -1.399 7.149 1.00 0.65 O ATOM 92 H GLY A 6 0.218 1.795 5.061 1.00 0.38 H ATOM 93 HA2 GLY A 6 2.713 1.150 6.437 1.00 0.29 H ATOM 94 HA3 GLY A 6 1.084 1.087 7.120 1.00 0.34 H ATOM 95 N LEU A 7 1.422 -1.283 4.973 1.00 0.23 N ATOM 96 CA LEU A 7 1.424 -2.707 4.706 1.00 0.33 C ATOM 97 C LEU A 7 1.613 -2.895 3.199 1.00 0.54 C ATOM 98 O LEU A 7 2.140 -2.011 2.527 1.00 0.58 O ATOM 99 CB LEU A 7 0.136 -3.349 5.259 1.00 0.61 C ATOM 100 CG LEU A 7 -1.156 -2.933 4.528 1.00 0.86 C ATOM 101 CD1 LEU A 7 -2.122 -4.123 4.507 1.00 1.31 C ATOM 102 CD2 LEU A 7 -1.862 -1.762 5.214 1.00 0.88 C ATOM 103 H LEU A 7 1.332 -0.717 4.142 1.00 0.44 H ATOM 104 HA LEU A 7 2.284 -3.164 5.192 1.00 0.34 H ATOM 105 HB2 LEU A 7 0.255 -4.431 5.208 1.00 0.71 H ATOM 106 HB3 LEU A 7 0.039 -3.109 6.319 1.00 0.70 H ATOM 107 HG LEU A 7 -0.926 -2.633 3.505 1.00 0.85 H ATOM 108 HD11 LEU A 7 -1.633 -5.009 4.107 1.00 1.35 H ATOM 109 HD12 LEU A 7 -2.456 -4.349 5.520 1.00 2.56 H ATOM 110 HD13 LEU A 7 -2.988 -3.884 3.889 1.00 2.08 H ATOM 111 HD21 LEU A 7 -2.732 -1.470 4.624 1.00 1.43 H ATOM 112 HD22 LEU A 7 -2.190 -2.053 6.212 1.00 2.16 H ATOM 113 HD23 LEU A 7 -1.188 -0.912 5.293 1.00 1.66 H ATOM 114 N ARG A 8 1.181 -4.044 2.673 1.00 0.80 N ATOM 115 CA ARG A 8 1.295 -4.419 1.269 1.00 1.12 C ATOM 116 C ARG A 8 1.011 -3.252 0.319 1.00 0.84 C ATOM 117 O ARG A 8 -0.024 -2.604 0.452 1.00 0.79 O ATOM 118 CB ARG A 8 0.346 -5.591 0.967 1.00 1.70 C ATOM 119 CG ARG A 8 -1.125 -5.298 1.337 1.00 2.05 C ATOM 120 CD ARG A 8 -2.076 -5.047 0.156 1.00 2.87 C ATOM 121 NE ARG A 8 -2.087 -6.131 -0.838 1.00 1.41 N ATOM 122 CZ ARG A 8 -2.463 -7.400 -0.638 1.00 1.40 C ATOM 123 NH1 ARG A 8 -2.984 -7.776 0.530 1.00 2.25 N ATOM 124 NH2 ARG A 8 -2.313 -8.298 -1.613 1.00 2.61 N ATOM 125 H ARG A 8 0.764 -4.711 3.301 1.00 0.81 H ATOM 126 HA ARG A 8 2.324 -4.748 1.138 1.00 1.28 H ATOM 127 HB2 ARG A 8 0.423 -5.854 -0.088 1.00 1.87 H ATOM 128 HB3 ARG A 8 0.679 -6.452 1.547 1.00 1.96 H ATOM 129 HG2 ARG A 8 -1.497 -6.131 1.928 1.00 2.24 H ATOM 130 HG3 ARG A 8 -1.177 -4.415 1.968 1.00 2.03 H ATOM 131 HD2 ARG A 8 -3.087 -4.897 0.534 1.00 4.42 H ATOM 132 HD3 ARG A 8 -1.775 -4.124 -0.337 1.00 4.19 H ATOM 133 HE ARG A 8 -1.897 -5.822 -1.781 1.00 1.80 H ATOM 134 HH11 ARG A 8 -3.163 -7.078 1.236 1.00 3.35 H ATOM 135 HH12 ARG A 8 -3.265 -8.725 0.718 1.00 2.60 H ATOM 136 HH21 ARG A 8 -1.917 -8.035 -2.503 1.00 3.49 H ATOM 137 HH22 ARG A 8 -2.584 -9.262 -1.492 1.00 3.29 H ATOM 138 N PRO A 9 1.860 -3.032 -0.696 1.00 0.73 N ATOM 139 CA PRO A 9 1.686 -1.926 -1.617 1.00 0.68 C ATOM 140 C PRO A 9 0.492 -2.076 -2.546 1.00 1.17 C ATOM 141 O PRO A 9 0.111 -1.100 -3.183 1.00 3.08 O ATOM 142 CB PRO A 9 2.994 -1.799 -2.397 1.00 0.72 C ATOM 143 CG PRO A 9 3.652 -3.166 -2.266 1.00 0.73 C ATOM 144 CD PRO A 9 3.099 -3.741 -0.960 1.00 0.87 C ATOM 145 HA PRO A 9 1.509 -1.030 -1.040 1.00 0.73 H ATOM 146 HB2 PRO A 9 2.832 -1.533 -3.443 1.00 0.94 H ATOM 147 HB3 PRO A 9 3.634 -1.062 -1.923 1.00 0.89 H ATOM 148 HG2 PRO A 9 3.352 -3.793 -3.105 1.00 0.89 H ATOM 149 HG3 PRO A 9 4.736 -3.058 -2.227 1.00 0.86 H ATOM 150 HD2 PRO A 9 2.920 -4.812 -1.071 1.00 1.04 H ATOM 151 HD3 PRO A 9 3.803 -3.555 -0.148 1.00 1.03 H ATOM 152 N GLY A 10 -0.117 -3.261 -2.628 1.00 0.77 N ATOM 153 CA GLY A 10 -1.295 -3.461 -3.456 1.00 0.86 C ATOM 154 C GLY A 10 -2.537 -3.021 -2.694 1.00 1.02 C ATOM 155 O GLY A 10 -3.374 -3.858 -2.370 1.00 1.22 O ATOM 156 H GLY A 10 0.204 -4.015 -2.045 1.00 2.08 H ATOM 157 HA2 GLY A 10 -1.208 -2.894 -4.383 1.00 0.94 H ATOM 158 HA3 GLY A 10 -1.387 -4.518 -3.705 1.00 1.02 H HETATM 159 N NH2 A 11 -2.644 -1.733 -2.366 1.00 1.07 N HETATM 160 HN1 NH2 A 11 -1.883 -1.099 -2.575 1.00 1.03 H HETATM 161 HN2 NH2 A 11 -3.457 -1.415 -1.861 1.00 1.24 H TER 162 NH2 A 11