HETATM 1 N PCA A 1 -6.605 5.340 -3.667 1.00 1.23 N HETATM 2 CA PCA A 1 -5.325 5.026 -3.058 1.00 0.58 C HETATM 3 CB PCA A 1 -5.519 5.257 -1.550 1.00 1.51 C HETATM 4 CG PCA A 1 -7.038 5.350 -1.371 1.00 2.03 C HETATM 5 CD PCA A 1 -7.561 5.565 -2.777 1.00 1.78 C HETATM 6 OE PCA A 1 -8.715 5.894 -3.034 1.00 2.64 O HETATM 7 C PCA A 1 -4.915 3.587 -3.365 1.00 0.53 C HETATM 8 O PCA A 1 -5.755 2.692 -3.412 1.00 0.64 O HETATM 9 H1 PCA A 1 -6.754 5.362 -4.665 1.00 1.90 H HETATM 10 HA PCA A 1 -4.566 5.710 -3.440 1.00 1.17 H HETATM 11 HB2 PCA A 1 -5.060 6.207 -1.270 1.00 1.80 H HETATM 12 HB3 PCA A 1 -5.098 4.445 -0.954 1.00 2.13 H HETATM 13 HG2 PCA A 1 -7.305 6.183 -0.720 1.00 2.39 H HETATM 14 HG3 PCA A 1 -7.432 4.412 -0.979 1.00 2.76 H ATOM 15 N HIS A 2 -3.615 3.370 -3.568 1.00 0.40 N ATOM 16 CA HIS A 2 -3.028 2.084 -3.906 1.00 0.40 C ATOM 17 C HIS A 2 -1.526 2.330 -3.903 1.00 0.29 C ATOM 18 O HIS A 2 -0.951 2.745 -4.903 1.00 0.29 O ATOM 19 CB HIS A 2 -3.527 1.593 -5.278 1.00 0.49 C ATOM 20 CG HIS A 2 -2.804 0.399 -5.865 1.00 0.56 C ATOM 21 ND1 HIS A 2 -2.915 -0.023 -7.171 1.00 0.61 N ATOM 22 CD2 HIS A 2 -1.925 -0.443 -5.235 1.00 0.66 C ATOM 23 CE1 HIS A 2 -2.111 -1.092 -7.322 1.00 0.69 C ATOM 24 NE2 HIS A 2 -1.496 -1.389 -6.167 1.00 0.73 N ATOM 25 H HIS A 2 -2.954 4.124 -3.430 1.00 0.33 H ATOM 26 HA HIS A 2 -3.282 1.352 -3.137 1.00 0.46 H ATOM 27 HB2 HIS A 2 -4.580 1.326 -5.193 1.00 0.58 H ATOM 28 HB3 HIS A 2 -3.448 2.415 -5.991 1.00 0.45 H ATOM 29 HD1 HIS A 2 -3.483 0.400 -7.890 1.00 0.64 H ATOM 30 HD2 HIS A 2 -1.600 -0.391 -4.208 1.00 0.74 H ATOM 31 HE1 HIS A 2 -1.977 -1.637 -8.246 1.00 0.76 H ATOM 32 N TRP A 3 -0.898 2.134 -2.750 1.00 0.24 N ATOM 33 CA TRP A 3 0.521 2.357 -2.587 1.00 0.22 C ATOM 34 C TRP A 3 1.012 1.454 -1.468 1.00 0.24 C ATOM 35 O TRP A 3 0.220 0.748 -0.840 1.00 0.28 O ATOM 36 CB TRP A 3 0.772 3.860 -2.364 1.00 0.18 C ATOM 37 CG TRP A 3 1.494 4.300 -1.129 1.00 0.23 C ATOM 38 CD1 TRP A 3 0.914 4.626 0.045 1.00 0.25 C ATOM 39 CD2 TRP A 3 2.929 4.450 -0.920 1.00 0.33 C ATOM 40 NE1 TRP A 3 1.885 5.011 0.948 1.00 0.33 N ATOM 41 CE2 TRP A 3 3.151 4.908 0.410 1.00 0.38 C ATOM 42 CE3 TRP A 3 4.064 4.193 -1.713 1.00 0.44 C ATOM 43 CZ2 TRP A 3 4.439 5.114 0.925 1.00 0.48 C ATOM 44 CZ3 TRP A 3 5.364 4.384 -1.205 1.00 0.55 C ATOM 45 CH2 TRP A 3 5.551 4.843 0.112 1.00 0.56 C ATOM 46 H TRP A 3 -1.380 1.821 -1.923 1.00 0.26 H ATOM 47 HA TRP A 3 1.041 2.047 -3.491 1.00 0.29 H ATOM 48 HB2 TRP A 3 1.328 4.222 -3.226 1.00 0.25 H ATOM 49 HB3 TRP A 3 -0.178 4.388 -2.382 1.00 0.16 H ATOM 50 HD1 TRP A 3 -0.149 4.597 0.233 1.00 0.27 H ATOM 51 HE1 TRP A 3 1.693 5.303 1.892 1.00 0.39 H ATOM 52 HE3 TRP A 3 3.920 3.824 -2.716 1.00 0.46 H ATOM 53 HZ2 TRP A 3 4.574 5.436 1.947 1.00 0.53 H ATOM 54 HZ3 TRP A 3 6.223 4.170 -1.822 1.00 0.65 H ATOM 55 HH2 TRP A 3 6.549 4.973 0.504 1.00 0.65 H ATOM 56 N SER A 4 2.325 1.454 -1.262 1.00 0.27 N ATOM 57 CA SER A 4 2.978 0.765 -0.169 1.00 0.30 C ATOM 58 C SER A 4 2.684 1.507 1.124 1.00 0.23 C ATOM 59 O SER A 4 3.509 2.269 1.616 1.00 0.26 O ATOM 60 CB SER A 4 4.485 0.666 -0.443 1.00 0.41 C ATOM 61 OG SER A 4 5.070 -0.333 0.362 1.00 1.40 O ATOM 62 H SER A 4 2.863 2.111 -1.799 1.00 0.32 H ATOM 63 HA SER A 4 2.540 -0.224 -0.093 1.00 0.36 H ATOM 64 HB2 SER A 4 4.650 0.407 -1.487 1.00 1.12 H ATOM 65 HB3 SER A 4 4.968 1.627 -0.255 1.00 0.95 H ATOM 66 HG SER A 4 5.048 -0.028 1.278 1.00 1.91 H ATOM 67 N TYR A 5 1.475 1.298 1.635 1.00 0.23 N ATOM 68 CA TYR A 5 0.950 1.954 2.811 1.00 0.23 C ATOM 69 C TYR A 5 1.664 1.408 4.058 1.00 0.19 C ATOM 70 O TYR A 5 2.831 1.031 4.021 1.00 0.18 O ATOM 71 CB TYR A 5 -0.573 1.738 2.809 1.00 0.34 C ATOM 72 CG TYR A 5 -1.354 2.706 3.680 1.00 0.42 C ATOM 73 CD1 TYR A 5 -1.206 4.092 3.486 1.00 1.87 C ATOM 74 CD2 TYR A 5 -2.223 2.231 4.683 1.00 2.16 C ATOM 75 CE1 TYR A 5 -1.904 5.003 4.297 1.00 1.86 C ATOM 76 CE2 TYR A 5 -2.925 3.136 5.499 1.00 2.24 C ATOM 77 CZ TYR A 5 -2.765 4.529 5.310 1.00 0.67 C ATOM 78 OH TYR A 5 -3.437 5.424 6.087 1.00 0.81 O ATOM 79 H TYR A 5 0.869 0.665 1.131 1.00 0.27 H ATOM 80 HA TYR A 5 1.144 3.018 2.717 1.00 0.23 H ATOM 81 HB2 TYR A 5 -0.928 1.863 1.786 1.00 0.36 H ATOM 82 HB3 TYR A 5 -0.784 0.706 3.095 1.00 0.39 H ATOM 83 HD1 TYR A 5 -0.560 4.472 2.710 1.00 3.37 H ATOM 84 HD2 TYR A 5 -2.363 1.169 4.830 1.00 3.63 H ATOM 85 HE1 TYR A 5 -1.790 6.067 4.151 1.00 3.31 H ATOM 86 HE2 TYR A 5 -3.586 2.759 6.265 1.00 3.75 H ATOM 87 HH TYR A 5 -4.006 5.024 6.746 1.00 1.78 H ATOM 88 N GLY A 6 0.952 1.258 5.170 1.00 0.24 N ATOM 89 CA GLY A 6 1.489 0.584 6.349 1.00 0.22 C ATOM 90 C GLY A 6 1.585 -0.937 6.173 1.00 0.26 C ATOM 91 O GLY A 6 1.769 -1.653 7.154 1.00 0.53 O ATOM 92 H GLY A 6 -0.002 1.574 5.162 1.00 0.34 H ATOM 93 HA2 GLY A 6 2.485 0.974 6.566 1.00 0.21 H ATOM 94 HA3 GLY A 6 0.846 0.793 7.203 1.00 0.32 H ATOM 95 N LEU A 7 1.444 -1.448 4.947 1.00 0.23 N ATOM 96 CA LEU A 7 1.596 -2.841 4.584 1.00 0.26 C ATOM 97 C LEU A 7 2.062 -2.877 3.127 1.00 0.24 C ATOM 98 O LEU A 7 2.486 -1.862 2.575 1.00 0.32 O ATOM 99 CB LEU A 7 0.280 -3.609 4.824 1.00 0.44 C ATOM 100 CG LEU A 7 -0.875 -3.187 3.895 1.00 0.53 C ATOM 101 CD1 LEU A 7 -1.676 -4.421 3.471 1.00 0.71 C ATOM 102 CD2 LEU A 7 -1.824 -2.207 4.589 1.00 0.62 C ATOM 103 H LEU A 7 1.433 -0.840 4.144 1.00 0.37 H ATOM 104 HA LEU A 7 2.377 -3.289 5.197 1.00 0.34 H ATOM 105 HB2 LEU A 7 0.481 -4.672 4.694 1.00 0.51 H ATOM 106 HB3 LEU A 7 -0.025 -3.480 5.863 1.00 0.53 H ATOM 107 HG LEU A 7 -0.480 -2.707 3.001 1.00 0.49 H ATOM 108 HD11 LEU A 7 -2.130 -4.891 4.344 1.00 1.44 H ATOM 109 HD12 LEU A 7 -2.458 -4.129 2.771 1.00 1.40 H ATOM 110 HD13 LEU A 7 -1.023 -5.142 2.986 1.00 1.58 H ATOM 111 HD21 LEU A 7 -2.361 -2.714 5.392 1.00 1.90 H ATOM 112 HD22 LEU A 7 -1.261 -1.375 5.008 1.00 1.73 H ATOM 113 HD23 LEU A 7 -2.544 -1.824 3.866 1.00 1.70 H ATOM 114 N ARG A 8 1.977 -4.049 2.499 1.00 0.30 N ATOM 115 CA ARG A 8 2.421 -4.263 1.130 1.00 0.37 C ATOM 116 C ARG A 8 1.791 -3.260 0.156 1.00 0.29 C ATOM 117 O ARG A 8 0.666 -2.806 0.371 1.00 0.26 O ATOM 118 CB ARG A 8 2.098 -5.707 0.713 1.00 0.53 C ATOM 119 CG ARG A 8 0.585 -6.001 0.775 1.00 0.81 C ATOM 120 CD ARG A 8 0.075 -6.719 -0.484 1.00 1.30 C ATOM 121 NE ARG A 8 -1.303 -6.325 -0.824 1.00 1.15 N ATOM 122 CZ ARG A 8 -2.035 -6.893 -1.792 1.00 1.95 C ATOM 123 NH1 ARG A 8 -1.544 -7.921 -2.485 1.00 2.98 N ATOM 124 NH2 ARG A 8 -3.251 -6.429 -2.076 1.00 2.09 N ATOM 125 H ARG A 8 1.597 -4.822 3.012 1.00 0.40 H ATOM 126 HA ARG A 8 3.497 -4.108 1.114 1.00 0.44 H ATOM 127 HB2 ARG A 8 2.468 -5.868 -0.299 1.00 0.82 H ATOM 128 HB3 ARG A 8 2.624 -6.400 1.369 1.00 0.70 H ATOM 129 HG2 ARG A 8 0.375 -6.612 1.654 1.00 0.97 H ATOM 130 HG3 ARG A 8 0.030 -5.075 0.894 1.00 1.13 H ATOM 131 HD2 ARG A 8 0.709 -6.465 -1.333 1.00 1.93 H ATOM 132 HD3 ARG A 8 0.127 -7.796 -0.312 1.00 1.70 H ATOM 133 HE ARG A 8 -1.677 -5.519 -0.339 1.00 1.13 H ATOM 134 HH11 ARG A 8 -0.616 -8.260 -2.285 1.00 3.07 H ATOM 135 HH12 ARG A 8 -2.060 -8.362 -3.230 1.00 3.81 H ATOM 136 HH21 ARG A 8 -3.620 -5.610 -1.600 1.00 1.69 H ATOM 137 HH22 ARG A 8 -3.824 -6.825 -2.805 1.00 2.85 H ATOM 138 N PRO A 9 2.461 -2.965 -0.965 1.00 0.33 N ATOM 139 CA PRO A 9 1.866 -2.167 -2.013 1.00 0.38 C ATOM 140 C PRO A 9 0.722 -2.943 -2.653 1.00 0.53 C ATOM 141 O PRO A 9 0.928 -3.814 -3.494 1.00 1.13 O ATOM 142 CB PRO A 9 2.990 -1.838 -2.993 1.00 0.46 C ATOM 143 CG PRO A 9 4.005 -2.960 -2.775 1.00 0.49 C ATOM 144 CD PRO A 9 3.810 -3.370 -1.315 1.00 0.44 C ATOM 145 HA PRO A 9 1.471 -1.252 -1.584 1.00 0.37 H ATOM 146 HB2 PRO A 9 2.641 -1.799 -4.027 1.00 0.64 H ATOM 147 HB3 PRO A 9 3.436 -0.885 -2.720 1.00 0.42 H ATOM 148 HG2 PRO A 9 3.762 -3.800 -3.427 1.00 0.65 H ATOM 149 HG3 PRO A 9 5.023 -2.616 -2.961 1.00 0.55 H ATOM 150 HD2 PRO A 9 3.944 -4.447 -1.213 1.00 0.46 H ATOM 151 HD3 PRO A 9 4.521 -2.839 -0.681 1.00 0.54 H ATOM 152 N GLY A 10 -0.494 -2.625 -2.226 1.00 0.64 N ATOM 153 CA GLY A 10 -1.708 -3.194 -2.775 1.00 0.73 C ATOM 154 C GLY A 10 -2.878 -2.811 -1.885 1.00 0.86 C ATOM 155 O GLY A 10 -3.652 -3.674 -1.476 1.00 1.05 O ATOM 156 H GLY A 10 -0.553 -2.022 -1.413 1.00 1.05 H ATOM 157 HA2 GLY A 10 -1.870 -2.815 -3.783 1.00 0.70 H ATOM 158 HA3 GLY A 10 -1.616 -4.278 -2.820 1.00 0.83 H HETATM 159 N NH2 A 11 -2.984 -1.528 -1.545 1.00 0.91 N HETATM 160 HN1 NH2 A 11 -2.279 -0.868 -1.839 1.00 0.88 H HETATM 161 HN2 NH2 A 11 -3.756 -1.237 -0.964 1.00 1.06 H TER 162 NH2 A 11