HETATM 1 N PCA A 1 -4.950 1.616 9.316 1.00 0.92 N HETATM 2 CA PCA A 1 -3.932 1.534 8.287 1.00 0.24 C HETATM 3 CB PCA A 1 -2.729 2.331 8.829 1.00 1.20 C HETATM 4 CG PCA A 1 -3.063 2.583 10.305 1.00 1.63 C HETATM 5 CD PCA A 1 -4.523 2.195 10.429 1.00 1.39 C HETATM 6 OE PCA A 1 -5.197 2.389 11.435 1.00 2.10 O HETATM 7 C PCA A 1 -3.583 0.072 8.011 1.00 0.26 C HETATM 8 O PCA A 1 -3.615 -0.757 8.915 1.00 0.81 O HETATM 9 H PCA A 1 -5.860 1.191 9.228 1.00 1.52 H HETATM 10 HA PCA A 1 -4.298 2.001 7.373 1.00 0.79 H HETATM 11 HB2 PCA A 1 -2.663 3.285 8.304 1.00 1.43 H HETATM 12 HB3 PCA A 1 -1.793 1.781 8.725 1.00 1.73 H HETATM 13 HG2 PCA A 1 -2.917 3.632 10.563 1.00 1.87 H HETATM 14 HG3 PCA A 1 -2.458 1.941 10.946 1.00 2.31 H ATOM 15 N HIS A 2 -3.245 -0.236 6.758 1.00 0.33 N ATOM 16 CA HIS A 2 -2.811 -1.558 6.343 1.00 0.27 C ATOM 17 C HIS A 2 -1.343 -1.442 5.952 1.00 0.24 C ATOM 18 O HIS A 2 -0.471 -1.655 6.787 1.00 0.26 O ATOM 19 CB HIS A 2 -3.745 -2.127 5.256 1.00 0.28 C ATOM 20 CG HIS A 2 -4.203 -1.145 4.199 1.00 0.33 C ATOM 21 ND1 HIS A 2 -5.138 -0.150 4.381 1.00 0.40 N ATOM 22 CD2 HIS A 2 -3.802 -1.100 2.889 1.00 0.36 C ATOM 23 CE1 HIS A 2 -5.274 0.496 3.209 1.00 0.46 C ATOM 24 NE2 HIS A 2 -4.480 -0.046 2.275 1.00 0.44 N ATOM 25 H HIS A 2 -3.211 0.479 6.048 1.00 0.76 H ATOM 26 HA HIS A 2 -2.847 -2.249 7.186 1.00 0.26 H ATOM 27 HB2 HIS A 2 -3.263 -2.980 4.778 1.00 0.27 H ATOM 28 HB3 HIS A 2 -4.639 -2.506 5.751 1.00 0.30 H ATOM 29 HD1 HIS A 2 -5.668 0.032 5.222 1.00 0.43 H ATOM 30 HD2 HIS A 2 -3.078 -1.747 2.414 1.00 0.35 H ATOM 31 HE1 HIS A 2 -5.940 1.330 3.034 1.00 0.54 H ATOM 32 N TRP A 3 -1.069 -1.070 4.704 1.00 0.22 N ATOM 33 CA TRP A 3 0.256 -0.859 4.143 1.00 0.22 C ATOM 34 C TRP A 3 0.044 -0.359 2.707 1.00 0.21 C ATOM 35 O TRP A 3 -1.034 0.138 2.392 1.00 0.31 O ATOM 36 CB TRP A 3 1.093 -2.148 4.194 1.00 0.21 C ATOM 37 CG TRP A 3 0.739 -3.187 3.184 1.00 0.19 C ATOM 38 CD1 TRP A 3 -0.503 -3.645 2.929 1.00 0.19 C ATOM 39 CD2 TRP A 3 1.622 -3.861 2.247 1.00 0.25 C ATOM 40 NE1 TRP A 3 -0.448 -4.576 1.910 1.00 0.25 N ATOM 41 CE2 TRP A 3 0.846 -4.757 1.459 1.00 0.29 C ATOM 42 CE3 TRP A 3 3.004 -3.792 1.992 1.00 0.33 C ATOM 43 CZ2 TRP A 3 1.428 -5.578 0.481 1.00 0.39 C ATOM 44 CZ3 TRP A 3 3.601 -4.616 1.021 1.00 0.41 C ATOM 45 CH2 TRP A 3 2.817 -5.517 0.278 1.00 0.45 C ATOM 46 H TRP A 3 -1.824 -0.784 4.099 1.00 0.24 H ATOM 47 HA TRP A 3 0.777 -0.097 4.720 1.00 0.29 H ATOM 48 HB2 TRP A 3 2.136 -1.871 4.046 1.00 0.27 H ATOM 49 HB3 TRP A 3 1.047 -2.603 5.180 1.00 0.23 H ATOM 50 HD1 TRP A 3 -1.381 -3.305 3.457 1.00 0.19 H ATOM 51 HE1 TRP A 3 -1.264 -5.045 1.541 1.00 0.30 H ATOM 52 HE3 TRP A 3 3.603 -3.111 2.581 1.00 0.34 H ATOM 53 HZ2 TRP A 3 0.815 -6.263 -0.087 1.00 0.44 H ATOM 54 HZ3 TRP A 3 4.670 -4.573 0.864 1.00 0.47 H ATOM 55 HH2 TRP A 3 3.290 -6.177 -0.431 1.00 0.55 H ATOM 56 N SER A 4 1.039 -0.546 1.840 1.00 0.17 N ATOM 57 CA SER A 4 1.111 -0.164 0.431 1.00 0.11 C ATOM 58 C SER A 4 1.851 1.160 0.321 1.00 0.10 C ATOM 59 O SER A 4 1.331 2.209 0.682 1.00 0.14 O ATOM 60 CB SER A 4 -0.250 -0.039 -0.266 1.00 0.17 C ATOM 61 OG SER A 4 -1.011 -1.223 -0.147 1.00 0.29 O ATOM 62 H SER A 4 1.795 -1.110 2.187 1.00 0.22 H ATOM 63 HA SER A 4 1.690 -0.922 -0.095 1.00 0.12 H ATOM 64 HB2 SER A 4 -0.809 0.806 0.139 1.00 0.23 H ATOM 65 HB3 SER A 4 -0.066 0.159 -1.319 1.00 0.15 H ATOM 66 HG SER A 4 -1.446 -1.147 0.714 1.00 0.52 H ATOM 67 N TYR A 5 3.056 1.134 -0.245 1.00 0.11 N ATOM 68 CA TYR A 5 3.896 2.320 -0.389 1.00 0.14 C ATOM 69 C TYR A 5 3.527 3.153 -1.626 1.00 0.16 C ATOM 70 O TYR A 5 4.358 3.851 -2.196 1.00 0.24 O ATOM 71 CB TYR A 5 5.354 1.857 -0.414 1.00 0.19 C ATOM 72 CG TYR A 5 6.243 2.457 0.649 1.00 0.23 C ATOM 73 CD1 TYR A 5 5.888 2.361 2.007 1.00 1.75 C ATOM 74 CD2 TYR A 5 7.442 3.091 0.277 1.00 1.71 C ATOM 75 CE1 TYR A 5 6.724 2.910 2.994 1.00 1.78 C ATOM 76 CE2 TYR A 5 8.285 3.635 1.257 1.00 1.71 C ATOM 77 CZ TYR A 5 7.930 3.550 2.622 1.00 0.36 C ATOM 78 OH TYR A 5 8.757 4.086 3.563 1.00 0.43 O ATOM 79 H TYR A 5 3.441 0.249 -0.535 1.00 0.14 H ATOM 80 HA TYR A 5 3.757 2.960 0.471 1.00 0.17 H ATOM 81 HB2 TYR A 5 5.392 0.773 -0.321 1.00 0.20 H ATOM 82 HB3 TYR A 5 5.773 2.106 -1.376 1.00 0.24 H ATOM 83 HD1 TYR A 5 4.971 1.867 2.296 1.00 3.05 H ATOM 84 HD2 TYR A 5 7.721 3.165 -0.765 1.00 3.02 H ATOM 85 HE1 TYR A 5 6.430 2.834 4.029 1.00 3.10 H ATOM 86 HE2 TYR A 5 9.201 4.120 0.963 1.00 3.01 H ATOM 87 HH TYR A 5 8.428 4.004 4.460 1.00 1.35 H HETATM 88 N DLE A 6 2.280 3.042 -2.085 1.00 0.12 N HETATM 89 CA DLE A 6 1.823 3.650 -3.334 1.00 0.15 C HETATM 90 CB DLE A 6 0.289 3.763 -3.363 1.00 0.19 C HETATM 91 CG DLE A 6 -0.433 2.464 -3.773 1.00 0.28 C HETATM 92 CD1 DLE A 6 -1.032 2.581 -5.178 1.00 0.44 C HETATM 93 CD2 DLE A 6 -1.573 2.166 -2.800 1.00 0.39 C HETATM 94 C DLE A 6 2.360 2.909 -4.556 1.00 0.13 C HETATM 95 O DLE A 6 2.185 3.356 -5.684 1.00 0.19 O HETATM 96 H DLE A 6 1.658 2.496 -1.520 1.00 0.12 H HETATM 97 HA DLE A 6 2.231 4.655 -3.373 1.00 0.19 H HETATM 98 HB2 DLE A 6 0.020 4.550 -4.069 1.00 0.31 H HETATM 99 HB3 DLE A 6 -0.053 4.088 -2.381 1.00 0.27 H HETATM 100 HG DLE A 6 0.262 1.623 -3.750 1.00 0.30 H HETATM 101 HD11 DLE A 6 -0.260 2.848 -5.900 1.00 1.50 H HETATM 102 HD12 DLE A 6 -1.802 3.354 -5.193 1.00 1.53 H HETATM 103 HD13 DLE A 6 -1.477 1.633 -5.476 1.00 1.33 H HETATM 104 HD21 DLE A 6 -2.038 1.217 -3.059 1.00 1.63 H HETATM 105 HD22 DLE A 6 -2.322 2.957 -2.846 1.00 1.68 H HETATM 106 HD23 DLE A 6 -1.188 2.110 -1.784 1.00 1.73 H ATOM 107 N LEU A 7 2.998 1.758 -4.337 1.00 0.09 N ATOM 108 CA LEU A 7 3.590 0.965 -5.402 1.00 0.10 C ATOM 109 C LEU A 7 2.536 0.045 -6.016 1.00 0.15 C ATOM 110 O LEU A 7 2.647 -0.347 -7.173 1.00 0.28 O ATOM 111 CB LEU A 7 4.768 0.132 -4.869 1.00 0.16 C ATOM 112 CG LEU A 7 5.627 0.849 -3.816 1.00 0.20 C ATOM 113 CD1 LEU A 7 6.802 -0.042 -3.409 1.00 0.29 C ATOM 114 CD2 LEU A 7 6.178 2.188 -4.316 1.00 0.25 C ATOM 115 H LEU A 7 3.143 1.475 -3.383 1.00 0.09 H ATOM 116 HA LEU A 7 3.959 1.641 -6.175 1.00 0.12 H ATOM 117 HB2 LEU A 7 4.380 -0.780 -4.415 1.00 0.19 H ATOM 118 HB3 LEU A 7 5.397 -0.155 -5.714 1.00 0.22 H ATOM 119 HG LEU A 7 5.008 1.012 -2.930 1.00 0.18 H ATOM 120 HD11 LEU A 7 6.438 -1.015 -3.081 1.00 1.46 H ATOM 121 HD12 LEU A 7 7.478 -0.176 -4.253 1.00 1.43 H ATOM 122 HD13 LEU A 7 7.349 0.423 -2.587 1.00 1.20 H ATOM 123 HD21 LEU A 7 6.794 2.646 -3.543 1.00 1.40 H ATOM 124 HD22 LEU A 7 6.779 2.037 -5.213 1.00 1.48 H ATOM 125 HD23 LEU A 7 5.364 2.876 -4.545 1.00 1.29 H ATOM 126 N ARG A 8 1.552 -0.372 -5.211 1.00 0.11 N ATOM 127 CA ARG A 8 0.540 -1.346 -5.565 1.00 0.20 C ATOM 128 C ARG A 8 -0.530 -1.359 -4.478 1.00 0.12 C ATOM 129 O ARG A 8 -0.215 -1.179 -3.300 1.00 0.17 O ATOM 130 CB ARG A 8 1.175 -2.736 -5.675 1.00 0.34 C ATOM 131 CG ARG A 8 1.871 -3.161 -4.371 1.00 0.40 C ATOM 132 CD ARG A 8 3.286 -3.676 -4.646 1.00 0.64 C ATOM 133 NE ARG A 8 3.278 -5.036 -5.208 1.00 1.00 N ATOM 134 CZ ARG A 8 3.314 -6.172 -4.497 1.00 0.87 C ATOM 135 NH1 ARG A 8 3.346 -6.132 -3.165 1.00 2.57 N ATOM 136 NH2 ARG A 8 3.318 -7.353 -5.117 1.00 0.93 N ATOM 137 H ARG A 8 1.462 0.000 -4.280 1.00 0.08 H ATOM 138 HA ARG A 8 0.114 -1.057 -6.525 1.00 0.32 H ATOM 139 HB2 ARG A 8 0.404 -3.464 -5.921 1.00 0.38 H ATOM 140 HB3 ARG A 8 1.892 -2.719 -6.494 1.00 0.49 H ATOM 141 HG2 ARG A 8 1.958 -2.317 -3.690 1.00 0.30 H ATOM 142 HG3 ARG A 8 1.265 -3.919 -3.872 1.00 0.49 H ATOM 143 HD2 ARG A 8 3.779 -2.994 -5.342 1.00 0.67 H ATOM 144 HD3 ARG A 8 3.862 -3.651 -3.721 1.00 0.71 H ATOM 145 HE ARG A 8 3.255 -5.081 -6.217 1.00 2.39 H ATOM 146 HH11 ARG A 8 3.318 -5.245 -2.687 1.00 2.99 H ATOM 147 HH12 ARG A 8 3.393 -6.973 -2.611 1.00 3.64 H ATOM 148 HH21 ARG A 8 3.290 -7.413 -6.124 1.00 1.80 H ATOM 149 HH22 ARG A 8 3.345 -8.220 -4.603 1.00 1.46 H ATOM 150 N PRO A 9 -1.785 -1.625 -4.826 1.00 0.23 N ATOM 151 CA PRO A 9 -2.882 -1.714 -3.879 1.00 0.31 C ATOM 152 C PRO A 9 -2.822 -3.052 -3.138 1.00 0.26 C ATOM 153 O PRO A 9 -3.648 -3.930 -3.371 1.00 0.31 O ATOM 154 CB PRO A 9 -4.124 -1.594 -4.761 1.00 0.46 C ATOM 155 CG PRO A 9 -3.685 -2.313 -6.034 1.00 0.43 C ATOM 156 CD PRO A 9 -2.241 -1.845 -6.182 1.00 0.37 C ATOM 157 HA PRO A 9 -2.858 -0.896 -3.160 1.00 0.41 H ATOM 158 HB2 PRO A 9 -5.003 -2.049 -4.310 1.00 0.51 H ATOM 159 HB3 PRO A 9 -4.294 -0.541 -4.982 1.00 0.58 H ATOM 160 HG2 PRO A 9 -3.691 -3.389 -5.861 1.00 0.36 H ATOM 161 HG3 PRO A 9 -4.294 -2.041 -6.894 1.00 0.58 H ATOM 162 HD2 PRO A 9 -1.640 -2.604 -6.684 1.00 0.40 H ATOM 163 HD3 PRO A 9 -2.198 -0.902 -6.727 1.00 0.49 H TER 164 PRO A 9 HETATM 165 N NEH A 10 -1.828 -3.223 -2.264 1.00 0.34 N HETATM 166 CA NEH A 10 -1.678 -4.433 -1.464 1.00 0.46 C HETATM 167 CB NEH A 10 -1.148 -5.598 -2.310 1.00 1.54 C HETATM 168 H NEH A 10 -1.242 -2.408 -2.069 1.00 0.33 H HETATM 169 HA2 NEH A 10 -0.976 -4.236 -0.659 1.00 0.96 H HETATM 170 HA3 NEH A 10 -2.642 -4.708 -1.033 1.00 1.06 H HETATM 171 HB1 NEH A 10 -0.126 -5.401 -2.631 1.00 2.47 H HETATM 172 HB2 NEH A 10 -1.168 -6.513 -1.716 1.00 1.88 H HETATM 173 HB3 NEH A 10 -1.781 -5.748 -3.186 1.00 2.29 H