HETATM 1 N PCA A 1 -6.629 5.239 -3.509 1.00 1.22 N HETATM 2 CA PCA A 1 -5.251 5.033 -3.101 1.00 0.59 C HETATM 3 CB PCA A 1 -5.214 5.352 -1.596 1.00 1.49 C HETATM 4 CG PCA A 1 -6.688 5.376 -1.176 1.00 2.00 C HETATM 5 CD PCA A 1 -7.445 5.462 -2.486 1.00 1.76 C HETATM 6 OE PCA A 1 -8.647 5.693 -2.568 1.00 2.65 O HETATM 7 C PCA A 1 -4.813 3.600 -3.398 1.00 0.55 C HETATM 8 O PCA A 1 -5.624 2.678 -3.392 1.00 0.66 O HETATM 9 H1 PCA A 1 -6.939 5.172 -4.466 1.00 1.90 H HETATM 10 HA PCA A 1 -4.607 5.728 -3.640 1.00 1.21 H HETATM 11 HB2 PCA A 1 -4.779 6.341 -1.450 1.00 1.79 H HETATM 12 HB3 PCA A 1 -4.652 4.605 -1.032 1.00 2.12 H HETATM 13 HG2 PCA A 1 -6.900 6.238 -0.543 1.00 2.35 H HETATM 14 HG3 PCA A 1 -6.951 4.448 -0.666 1.00 2.73 H ATOM 15 N HIS A 2 -3.519 3.416 -3.659 1.00 0.42 N ATOM 16 CA HIS A 2 -2.927 2.138 -4.008 1.00 0.44 C ATOM 17 C HIS A 2 -1.429 2.379 -3.973 1.00 0.34 C ATOM 18 O HIS A 2 -0.826 2.802 -4.955 1.00 0.35 O ATOM 19 CB HIS A 2 -3.398 1.672 -5.397 1.00 0.55 C ATOM 20 CG HIS A 2 -2.686 0.458 -5.954 1.00 0.61 C ATOM 21 ND1 HIS A 2 -2.734 0.047 -7.268 1.00 0.66 N ATOM 22 CD2 HIS A 2 -1.871 -0.418 -5.282 1.00 0.69 C ATOM 23 CE1 HIS A 2 -1.960 -1.046 -7.381 1.00 0.74 C ATOM 24 NE2 HIS A 2 -1.419 -1.370 -6.196 1.00 0.77 N ATOM 25 H HIS A 2 -2.867 4.182 -3.543 1.00 0.34 H ATOM 26 HA HIS A 2 -3.201 1.392 -3.260 1.00 0.50 H ATOM 27 HB2 HIS A 2 -4.461 1.437 -5.347 1.00 0.64 H ATOM 28 HB3 HIS A 2 -3.270 2.492 -6.104 1.00 0.54 H ATOM 29 HD1 HIS A 2 -3.247 0.493 -8.015 1.00 0.67 H ATOM 30 HD2 HIS A 2 -1.604 -0.384 -4.237 1.00 0.74 H ATOM 31 HE1 HIS A 2 -1.790 -1.591 -8.300 1.00 0.81 H ATOM 32 N TRP A 3 -0.836 2.173 -2.806 1.00 0.27 N ATOM 33 CA TRP A 3 0.576 2.388 -2.593 1.00 0.25 C ATOM 34 C TRP A 3 1.006 1.473 -1.462 1.00 0.23 C ATOM 35 O TRP A 3 0.177 0.805 -0.843 1.00 0.25 O ATOM 36 CB TRP A 3 0.826 3.888 -2.349 1.00 0.21 C ATOM 37 CG TRP A 3 1.538 4.314 -1.104 1.00 0.25 C ATOM 38 CD1 TRP A 3 0.944 4.661 0.057 1.00 0.25 C ATOM 39 CD2 TRP A 3 2.971 4.456 -0.875 1.00 0.36 C ATOM 40 NE1 TRP A 3 1.904 5.056 0.967 1.00 0.34 N ATOM 41 CE2 TRP A 3 3.175 4.952 0.444 1.00 0.40 C ATOM 42 CE3 TRP A 3 4.117 4.176 -1.645 1.00 0.48 C ATOM 43 CZ2 TRP A 3 4.456 5.184 0.967 1.00 0.52 C ATOM 44 CZ3 TRP A 3 5.408 4.399 -1.130 1.00 0.60 C ATOM 45 CH2 TRP A 3 5.579 4.904 0.171 1.00 0.61 C ATOM 46 H TRP A 3 -1.347 1.849 -1.999 1.00 0.27 H ATOM 47 HA TRP A 3 1.127 2.082 -3.480 1.00 0.34 H ATOM 48 HB2 TRP A 3 1.384 4.265 -3.204 1.00 0.29 H ATOM 49 HB3 TRP A 3 -0.126 4.413 -2.363 1.00 0.18 H ATOM 50 HD1 TRP A 3 -0.122 4.647 0.224 1.00 0.25 H ATOM 51 HE1 TRP A 3 1.698 5.359 1.905 1.00 0.39 H ATOM 52 HE3 TRP A 3 3.982 3.772 -2.634 1.00 0.49 H ATOM 53 HZ2 TRP A 3 4.578 5.538 1.980 1.00 0.56 H ATOM 54 HZ3 TRP A 3 6.277 4.176 -1.734 1.00 0.69 H ATOM 55 HH2 TRP A 3 6.572 5.059 0.567 1.00 0.71 H ATOM 56 N SER A 4 2.313 1.421 -1.235 1.00 0.27 N ATOM 57 CA SER A 4 2.907 0.729 -0.111 1.00 0.28 C ATOM 58 C SER A 4 2.586 1.515 1.147 1.00 0.21 C ATOM 59 O SER A 4 3.387 2.312 1.621 1.00 0.23 O ATOM 60 CB SER A 4 4.416 0.540 -0.299 1.00 0.41 C ATOM 61 OG SER A 4 4.840 -0.592 0.435 1.00 1.45 O ATOM 62 H SER A 4 2.861 2.065 -1.771 1.00 0.31 H ATOM 63 HA SER A 4 2.428 -0.241 -0.041 1.00 0.32 H ATOM 64 HB2 SER A 4 4.641 0.371 -1.351 1.00 1.10 H ATOM 65 HB3 SER A 4 4.962 1.428 0.025 1.00 0.84 H ATOM 66 HG SER A 4 4.587 -0.479 1.360 1.00 2.02 H ATOM 67 N TYR A 5 1.375 1.303 1.648 1.00 0.20 N ATOM 68 CA TYR A 5 0.848 1.959 2.823 1.00 0.22 C ATOM 69 C TYR A 5 1.578 1.413 4.059 1.00 0.19 C ATOM 70 O TYR A 5 2.749 1.052 4.010 1.00 0.15 O ATOM 71 CB TYR A 5 -0.671 1.731 2.826 1.00 0.34 C ATOM 72 CG TYR A 5 -1.453 2.696 3.698 1.00 0.45 C ATOM 73 CD1 TYR A 5 -1.316 4.082 3.498 1.00 1.83 C ATOM 74 CD2 TYR A 5 -2.318 2.214 4.699 1.00 2.21 C ATOM 75 CE1 TYR A 5 -2.026 4.988 4.303 1.00 1.82 C ATOM 76 CE2 TYR A 5 -3.033 3.115 5.509 1.00 2.30 C ATOM 77 CZ TYR A 5 -2.888 4.509 5.313 1.00 0.72 C ATOM 78 OH TYR A 5 -3.577 5.400 6.080 1.00 0.87 O ATOM 79 H TYR A 5 0.778 0.666 1.140 1.00 0.24 H ATOM 80 HA TYR A 5 1.036 3.023 2.730 1.00 0.25 H ATOM 81 HB2 TYR A 5 -1.034 1.857 1.804 1.00 0.35 H ATOM 82 HB3 TYR A 5 -0.878 0.699 3.114 1.00 0.38 H ATOM 83 HD1 TYR A 5 -0.672 4.464 2.722 1.00 3.33 H ATOM 84 HD2 TYR A 5 -2.448 1.151 4.848 1.00 3.68 H ATOM 85 HE1 TYR A 5 -1.923 6.052 4.152 1.00 3.27 H ATOM 86 HE2 TYR A 5 -3.694 2.733 6.272 1.00 3.81 H ATOM 87 HH TYR A 5 -4.156 4.992 6.727 1.00 1.86 H ATOM 88 N GLY A 6 0.877 1.235 5.174 1.00 0.26 N ATOM 89 CA GLY A 6 1.451 0.570 6.341 1.00 0.23 C ATOM 90 C GLY A 6 1.587 -0.948 6.158 1.00 0.26 C ATOM 91 O GLY A 6 1.690 -1.669 7.146 1.00 0.50 O ATOM 92 H GLY A 6 -0.083 1.531 5.176 1.00 0.37 H ATOM 93 HA2 GLY A 6 2.439 0.984 6.544 1.00 0.21 H ATOM 94 HA3 GLY A 6 0.817 0.760 7.206 1.00 0.34 H ATOM 95 N LEU A 7 1.561 -1.450 4.919 1.00 0.22 N ATOM 96 CA LEU A 7 1.752 -2.840 4.564 1.00 0.31 C ATOM 97 C LEU A 7 2.164 -2.879 3.088 1.00 0.26 C ATOM 98 O LEU A 7 2.628 -1.880 2.535 1.00 0.29 O ATOM 99 CB LEU A 7 0.478 -3.655 4.874 1.00 0.51 C ATOM 100 CG LEU A 7 -0.754 -3.269 4.033 1.00 0.59 C ATOM 101 CD1 LEU A 7 -1.584 -4.522 3.726 1.00 0.81 C ATOM 102 CD2 LEU A 7 -1.661 -2.277 4.766 1.00 0.68 C ATOM 103 H LEU A 7 1.602 -0.837 4.120 1.00 0.28 H ATOM 104 HA LEU A 7 2.580 -3.244 5.145 1.00 0.42 H ATOM 105 HB2 LEU A 7 0.705 -4.709 4.724 1.00 0.61 H ATOM 106 HB3 LEU A 7 0.233 -3.550 5.932 1.00 0.63 H ATOM 107 HG LEU A 7 -0.435 -2.814 3.096 1.00 0.54 H ATOM 108 HD11 LEU A 7 -2.397 -4.268 3.045 1.00 1.51 H ATOM 109 HD12 LEU A 7 -0.964 -5.284 3.261 1.00 2.03 H ATOM 110 HD13 LEU A 7 -2.000 -4.928 4.648 1.00 2.07 H ATOM 111 HD21 LEU A 7 -2.512 -2.023 4.133 1.00 1.51 H ATOM 112 HD22 LEU A 7 -2.028 -2.720 5.693 1.00 2.01 H ATOM 113 HD23 LEU A 7 -1.111 -1.368 4.999 1.00 1.45 H ATOM 114 N ARG A 8 2.001 -4.037 2.449 1.00 0.33 N ATOM 115 CA ARG A 8 2.363 -4.257 1.056 1.00 0.38 C ATOM 116 C ARG A 8 1.745 -3.210 0.126 1.00 0.32 C ATOM 117 O ARG A 8 0.642 -2.725 0.386 1.00 0.29 O ATOM 118 CB ARG A 8 1.926 -5.671 0.629 1.00 0.53 C ATOM 119 CG ARG A 8 0.418 -5.897 0.855 1.00 0.81 C ATOM 120 CD ARG A 8 -0.317 -6.367 -0.404 1.00 1.32 C ATOM 121 NE ARG A 8 -1.762 -6.110 -0.291 1.00 1.14 N ATOM 122 CZ ARG A 8 -2.654 -6.792 0.435 1.00 1.70 C ATOM 123 NH1 ARG A 8 -2.287 -7.881 1.113 1.00 2.32 N ATOM 124 NH2 ARG A 8 -3.912 -6.359 0.473 1.00 2.17 N ATOM 125 H ARG A 8 1.607 -4.804 2.965 1.00 0.41 H ATOM 126 HA ARG A 8 3.444 -4.161 0.993 1.00 0.46 H ATOM 127 HB2 ARG A 8 2.168 -5.820 -0.423 1.00 0.78 H ATOM 128 HB3 ARG A 8 2.487 -6.408 1.208 1.00 0.69 H ATOM 129 HG2 ARG A 8 0.282 -6.632 1.649 1.00 0.98 H ATOM 130 HG3 ARG A 8 -0.050 -4.970 1.180 1.00 1.09 H ATOM 131 HD2 ARG A 8 0.054 -5.805 -1.262 1.00 2.04 H ATOM 132 HD3 ARG A 8 -0.126 -7.427 -0.577 1.00 1.77 H ATOM 133 HE ARG A 8 -2.098 -5.287 -0.775 1.00 1.32 H ATOM 134 HH11 ARG A 8 -1.333 -8.203 1.061 1.00 2.18 H ATOM 135 HH12 ARG A 8 -2.937 -8.412 1.673 1.00 3.12 H ATOM 136 HH21 ARG A 8 -4.160 -5.510 -0.033 1.00 1.97 H ATOM 137 HH22 ARG A 8 -4.635 -6.835 0.992 1.00 2.92 H ATOM 138 N PRO A 9 2.395 -2.916 -1.007 1.00 0.38 N ATOM 139 CA PRO A 9 1.801 -2.100 -2.040 1.00 0.44 C ATOM 140 C PRO A 9 0.666 -2.876 -2.693 1.00 0.56 C ATOM 141 O PRO A 9 0.863 -3.651 -3.623 1.00 1.16 O ATOM 142 CB PRO A 9 2.928 -1.756 -3.012 1.00 0.52 C ATOM 143 CG PRO A 9 3.884 -2.938 -2.863 1.00 0.57 C ATOM 144 CD PRO A 9 3.720 -3.362 -1.401 1.00 0.48 C ATOM 145 HA PRO A 9 1.400 -1.196 -1.595 1.00 0.42 H ATOM 146 HB2 PRO A 9 2.572 -1.638 -4.036 1.00 0.74 H ATOM 147 HB3 PRO A 9 3.421 -0.844 -2.682 1.00 0.45 H ATOM 148 HG2 PRO A 9 3.563 -3.749 -3.517 1.00 0.77 H ATOM 149 HG3 PRO A 9 4.912 -2.651 -3.086 1.00 0.64 H ATOM 150 HD2 PRO A 9 3.820 -4.443 -1.313 1.00 0.47 H ATOM 151 HD3 PRO A 9 4.466 -2.860 -0.785 1.00 0.58 H ATOM 152 N GLY A 10 -0.534 -2.674 -2.164 1.00 0.65 N ATOM 153 CA GLY A 10 -1.750 -3.286 -2.652 1.00 0.75 C ATOM 154 C GLY A 10 -2.857 -2.909 -1.686 1.00 0.88 C ATOM 155 O GLY A 10 -3.507 -3.788 -1.114 1.00 1.09 O ATOM 156 H GLY A 10 -0.574 -2.129 -1.310 1.00 1.06 H ATOM 157 HA2 GLY A 10 -1.979 -2.913 -3.652 1.00 0.74 H ATOM 158 HA3 GLY A 10 -1.634 -4.369 -2.692 1.00 0.86 H HETATM 159 N NH2 A 11 -3.006 -1.603 -1.456 1.00 0.90 N HETATM 160 HN1 NH2 A 11 -2.351 -0.939 -1.861 1.00 0.86 H HETATM 161 HN2 NH2 A 11 -3.743 -1.287 -0.843 1.00 1.06 H TER 162 NH2 A 11