HETATM 1 N PCA A 1 -5.229 1.862 8.718 1.00 0.67 N HETATM 2 CA PCA A 1 -3.834 1.551 8.464 1.00 0.29 C HETATM 3 CB PCA A 1 -3.098 1.849 9.784 1.00 0.86 C HETATM 4 CG PCA A 1 -4.216 2.033 10.819 1.00 1.12 C HETATM 5 CD PCA A 1 -5.473 2.164 9.985 1.00 0.95 C HETATM 6 OE PCA A 1 -6.563 2.499 10.439 1.00 1.43 O HETATM 7 C PCA A 1 -3.683 0.093 8.034 1.00 0.23 C HETATM 8 O PCA A 1 -4.323 -0.791 8.595 1.00 0.48 O HETATM 9 H PCA A 1 -5.950 1.823 8.015 1.00 1.10 H HETATM 10 HA PCA A 1 -3.451 2.206 7.680 1.00 0.68 H HETATM 11 HB2 PCA A 1 -2.539 2.780 9.683 1.00 1.08 H HETATM 12 HB3 PCA A 1 -2.427 1.037 10.070 1.00 1.19 H HETATM 13 HG2 PCA A 1 -4.049 2.930 11.418 1.00 1.32 H HETATM 14 HG3 PCA A 1 -4.293 1.152 11.457 1.00 1.57 H ATOM 15 N HIS A 2 -2.852 -0.155 7.022 1.00 0.24 N ATOM 16 CA HIS A 2 -2.563 -1.485 6.525 1.00 0.17 C ATOM 17 C HIS A 2 -1.109 -1.480 6.063 1.00 0.13 C ATOM 18 O HIS A 2 -0.219 -1.782 6.851 1.00 0.18 O ATOM 19 CB HIS A 2 -3.586 -1.903 5.449 1.00 0.24 C ATOM 20 CG HIS A 2 -4.004 -0.822 4.475 1.00 0.29 C ATOM 21 ND1 HIS A 2 -4.825 0.245 4.769 1.00 0.41 N ATOM 22 CD2 HIS A 2 -3.680 -0.738 3.146 1.00 0.28 C ATOM 23 CE1 HIS A 2 -4.967 0.970 3.646 1.00 0.45 C ATOM 24 NE2 HIS A 2 -4.290 0.408 2.633 1.00 0.36 N ATOM 25 H HIS A 2 -2.347 0.590 6.567 1.00 0.49 H ATOM 26 HA HIS A 2 -2.631 -2.203 7.342 1.00 0.16 H ATOM 27 HB2 HIS A 2 -3.207 -2.765 4.901 1.00 0.25 H ATOM 28 HB3 HIS A 2 -4.489 -2.231 5.966 1.00 0.31 H ATOM 29 HD1 HIS A 2 -5.266 0.427 5.658 1.00 0.48 H ATOM 30 HD2 HIS A 2 -3.055 -1.421 2.589 1.00 0.26 H ATOM 31 HE1 HIS A 2 -5.554 1.874 3.562 1.00 0.56 H ATOM 32 N TRP A 3 -0.861 -1.100 4.810 1.00 0.12 N ATOM 33 CA TRP A 3 0.451 -1.008 4.184 1.00 0.16 C ATOM 34 C TRP A 3 0.225 -0.434 2.779 1.00 0.13 C ATOM 35 O TRP A 3 -0.806 0.188 2.537 1.00 0.20 O ATOM 36 CB TRP A 3 1.146 -2.379 4.146 1.00 0.23 C ATOM 37 CG TRP A 3 0.628 -3.334 3.122 1.00 0.27 C ATOM 38 CD1 TRP A 3 -0.669 -3.644 2.924 1.00 0.26 C ATOM 39 CD2 TRP A 3 1.376 -4.044 2.099 1.00 0.37 C ATOM 40 NE1 TRP A 3 -0.774 -4.525 1.866 1.00 0.37 N ATOM 41 CE2 TRP A 3 0.463 -4.812 1.322 1.00 0.42 C ATOM 42 CE3 TRP A 3 2.740 -4.099 1.748 1.00 0.45 C ATOM 43 CZ2 TRP A 3 0.894 -5.625 0.262 1.00 0.53 C ATOM 44 CZ3 TRP A 3 3.181 -4.906 0.683 1.00 0.56 C ATOM 45 CH2 TRP A 3 2.262 -5.673 -0.056 1.00 0.60 C ATOM 46 H TRP A 3 -1.614 -0.734 4.249 1.00 0.14 H ATOM 47 HA TRP A 3 1.081 -0.328 4.755 1.00 0.23 H ATOM 48 HB2 TRP A 3 2.203 -2.210 3.949 1.00 0.30 H ATOM 49 HB3 TRP A 3 1.099 -2.863 5.120 1.00 0.25 H ATOM 50 HD1 TRP A 3 -1.473 -3.232 3.517 1.00 0.22 H ATOM 51 HE1 TRP A 3 -1.656 -4.886 1.526 1.00 0.42 H ATOM 52 HE3 TRP A 3 3.443 -3.518 2.328 1.00 0.45 H ATOM 53 HZ2 TRP A 3 0.184 -6.214 -0.295 1.00 0.59 H ATOM 54 HZ3 TRP A 3 4.233 -4.949 0.442 1.00 0.63 H ATOM 55 HH2 TRP A 3 2.607 -6.305 -0.860 1.00 0.69 H ATOM 56 N SER A 4 1.139 -0.702 1.847 1.00 0.15 N ATOM 57 CA SER A 4 1.162 -0.240 0.464 1.00 0.10 C ATOM 58 C SER A 4 1.806 1.133 0.390 1.00 0.12 C ATOM 59 O SER A 4 1.201 2.144 0.729 1.00 0.18 O ATOM 60 CB SER A 4 -0.219 -0.187 -0.195 1.00 0.15 C ATOM 61 OG SER A 4 -0.950 -1.373 0.017 1.00 0.28 O ATOM 62 H SER A 4 1.845 -1.366 2.115 1.00 0.23 H ATOM 63 HA SER A 4 1.786 -0.924 -0.113 1.00 0.08 H ATOM 64 HB2 SER A 4 -0.789 0.659 0.193 1.00 0.19 H ATOM 65 HB3 SER A 4 -0.071 -0.039 -1.263 1.00 0.20 H ATOM 66 HG SER A 4 -1.326 -1.282 0.901 1.00 0.45 H ATOM 67 N TYR A 5 3.022 1.188 -0.145 1.00 0.12 N ATOM 68 CA TYR A 5 3.766 2.432 -0.291 1.00 0.18 C ATOM 69 C TYR A 5 3.315 3.251 -1.512 1.00 0.19 C ATOM 70 O TYR A 5 4.065 4.072 -2.029 1.00 0.26 O ATOM 71 CB TYR A 5 5.256 2.080 -0.351 1.00 0.22 C ATOM 72 CG TYR A 5 6.085 2.648 0.776 1.00 0.28 C ATOM 73 CD1 TYR A 5 6.825 1.796 1.616 1.00 1.65 C ATOM 74 CD2 TYR A 5 6.130 4.041 0.964 1.00 1.69 C ATOM 75 CE1 TYR A 5 7.592 2.337 2.661 1.00 1.70 C ATOM 76 CE2 TYR A 5 6.885 4.587 2.016 1.00 1.71 C ATOM 77 CZ TYR A 5 7.612 3.732 2.878 1.00 0.52 C ATOM 78 OH TYR A 5 8.323 4.235 3.925 1.00 0.69 O ATOM 79 H TYR A 5 3.478 0.331 -0.412 1.00 0.11 H ATOM 80 HA TYR A 5 3.595 3.044 0.584 1.00 0.22 H ATOM 81 HB2 TYR A 5 5.371 0.998 -0.380 1.00 0.19 H ATOM 82 HB3 TYR A 5 5.663 2.458 -1.274 1.00 0.27 H ATOM 83 HD1 TYR A 5 6.811 0.728 1.465 1.00 2.89 H ATOM 84 HD2 TYR A 5 5.581 4.693 0.298 1.00 2.94 H ATOM 85 HE1 TYR A 5 8.159 1.687 3.309 1.00 2.95 H ATOM 86 HE2 TYR A 5 6.902 5.658 2.146 1.00 2.96 H ATOM 87 HH TYR A 5 8.103 5.144 4.137 1.00 1.48 H HETATM 88 N DLE A 6 2.104 3.002 -2.016 1.00 0.15 N HETATM 89 CA DLE A 6 1.626 3.563 -3.279 1.00 0.14 C HETATM 90 CB DLE A 6 0.094 3.579 -3.347 1.00 0.17 C HETATM 91 CG DLE A 6 -0.537 2.181 -3.501 1.00 0.37 C HETATM 92 CD1 DLE A 6 -1.240 2.032 -4.852 1.00 0.65 C HETATM 93 CD2 DLE A 6 -1.563 1.972 -2.386 1.00 0.54 C HETATM 94 C DLE A 6 2.202 2.832 -4.486 1.00 0.13 C HETATM 95 O DLE A 6 1.947 3.208 -5.625 1.00 0.25 O HETATM 96 H DLE A 6 1.526 2.375 -1.492 1.00 0.14 H HETATM 97 HA DLE A 6 1.979 4.585 -3.332 1.00 0.17 H HETATM 98 HB2 DLE A 6 -0.199 4.196 -4.198 1.00 0.39 H HETATM 99 HB3 DLE A 6 -0.287 4.072 -2.451 1.00 0.29 H HETATM 100 HG DLE A 6 0.229 1.404 -3.437 1.00 0.38 H HETATM 101 HD11 DLE A 6 -1.765 1.080 -4.896 1.00 2.16 H HETATM 102 HD12 DLE A 6 -0.504 2.073 -5.657 1.00 1.54 H HETATM 103 HD13 DLE A 6 -1.963 2.836 -4.990 1.00 1.64 H HETATM 104 HD21 DLE A 6 -1.931 0.947 -2.403 1.00 1.73 H HETATM 105 HD22 DLE A 6 -2.403 2.655 -2.520 1.00 1.45 H HETATM 106 HD23 DLE A 6 -1.105 2.175 -1.418 1.00 2.00 H ATOM 107 N LEU A 7 2.960 1.765 -4.241 1.00 0.09 N ATOM 108 CA LEU A 7 3.631 1.024 -5.293 1.00 0.13 C ATOM 109 C LEU A 7 2.667 0.013 -5.910 1.00 0.16 C ATOM 110 O LEU A 7 2.892 -0.460 -7.018 1.00 0.24 O ATOM 111 CB LEU A 7 4.877 0.306 -4.743 1.00 0.18 C ATOM 112 CG LEU A 7 5.641 1.094 -3.666 1.00 0.21 C ATOM 113 CD1 LEU A 7 6.887 0.317 -3.239 1.00 0.26 C ATOM 114 CD2 LEU A 7 6.069 2.484 -4.148 1.00 0.26 C ATOM 115 H LEU A 7 3.116 1.507 -3.284 1.00 0.11 H ATOM 116 HA LEU A 7 3.944 1.726 -6.067 1.00 0.15 H ATOM 117 HB2 LEU A 7 4.573 -0.647 -4.309 1.00 0.18 H ATOM 118 HB3 LEU A 7 5.547 0.095 -5.578 1.00 0.25 H ATOM 119 HG LEU A 7 4.992 1.189 -2.790 1.00 0.18 H ATOM 120 HD11 LEU A 7 7.586 0.245 -4.074 1.00 1.32 H ATOM 121 HD12 LEU A 7 7.376 0.836 -2.414 1.00 1.36 H ATOM 122 HD13 LEU A 7 6.610 -0.684 -2.911 1.00 1.17 H ATOM 123 HD21 LEU A 7 6.635 2.990 -3.366 1.00 1.51 H ATOM 124 HD22 LEU A 7 6.692 2.400 -5.038 1.00 1.26 H ATOM 125 HD23 LEU A 7 5.200 3.098 -4.379 1.00 1.41 H ATOM 126 N ARG A 8 1.632 -0.386 -5.158 1.00 0.12 N ATOM 127 CA ARG A 8 0.701 -1.427 -5.538 1.00 0.18 C ATOM 128 C ARG A 8 -0.495 -1.419 -4.596 1.00 0.14 C ATOM 129 O ARG A 8 -0.341 -1.163 -3.402 1.00 0.12 O ATOM 130 CB ARG A 8 1.400 -2.790 -5.467 1.00 0.27 C ATOM 131 CG ARG A 8 1.897 -3.090 -4.043 1.00 0.25 C ATOM 132 CD ARG A 8 3.283 -3.738 -4.069 1.00 0.40 C ATOM 133 NE ARG A 8 3.216 -5.161 -4.439 1.00 0.49 N ATOM 134 CZ ARG A 8 4.193 -5.882 -5.007 1.00 0.93 C ATOM 135 NH1 ARG A 8 5.326 -5.301 -5.405 1.00 1.99 N ATOM 136 NH2 ARG A 8 4.037 -7.197 -5.172 1.00 0.95 N ATOM 137 H ARG A 8 1.442 0.046 -4.270 1.00 0.07 H ATOM 138 HA ARG A 8 0.381 -1.209 -6.553 1.00 0.27 H ATOM 139 HB2 ARG A 8 0.706 -3.571 -5.776 1.00 0.31 H ATOM 140 HB3 ARG A 8 2.236 -2.786 -6.163 1.00 0.37 H ATOM 141 HG2 ARG A 8 1.988 -2.170 -3.470 1.00 0.19 H ATOM 142 HG3 ARG A 8 1.172 -3.726 -3.530 1.00 0.29 H ATOM 143 HD2 ARG A 8 3.908 -3.171 -4.763 1.00 0.51 H ATOM 144 HD3 ARG A 8 3.719 -3.650 -3.074 1.00 0.52 H ATOM 145 HE ARG A 8 2.360 -5.626 -4.172 1.00 1.21 H ATOM 146 HH11 ARG A 8 5.447 -4.305 -5.300 1.00 2.10 H ATOM 147 HH12 ARG A 8 6.073 -5.820 -5.839 1.00 2.75 H ATOM 148 HH21 ARG A 8 3.194 -7.664 -4.869 1.00 0.84 H ATOM 149 HH22 ARG A 8 4.756 -7.768 -5.588 1.00 1.58 H ATOM 150 N PRO A 9 -1.687 -1.748 -5.088 1.00 0.23 N ATOM 151 CA PRO A 9 -2.913 -1.737 -4.310 1.00 0.29 C ATOM 152 C PRO A 9 -3.004 -2.988 -3.431 1.00 0.26 C ATOM 153 O PRO A 9 -3.888 -3.816 -3.630 1.00 0.34 O ATOM 154 CB PRO A 9 -4.006 -1.695 -5.378 1.00 0.41 C ATOM 155 CG PRO A 9 -3.402 -2.534 -6.503 1.00 0.41 C ATOM 156 CD PRO A 9 -1.944 -2.087 -6.473 1.00 0.34 C ATOM 157 HA PRO A 9 -2.975 -0.845 -3.685 1.00 0.33 H ATOM 158 HB2 PRO A 9 -4.956 -2.093 -5.028 1.00 0.47 H ATOM 159 HB3 PRO A 9 -4.119 -0.667 -5.722 1.00 0.48 H ATOM 160 HG2 PRO A 9 -3.460 -3.591 -6.242 1.00 0.38 H ATOM 161 HG3 PRO A 9 -3.872 -2.335 -7.465 1.00 0.51 H ATOM 162 HD2 PRO A 9 -1.288 -2.887 -6.813 1.00 0.35 H ATOM 163 HD3 PRO A 9 -1.809 -1.194 -7.084 1.00 0.40 H TER 164 PRO A 9 HETATM 165 N NEH A 10 -2.085 -3.145 -2.473 1.00 0.30 N HETATM 166 CA NEH A 10 -2.097 -4.257 -1.532 1.00 0.36 C HETATM 167 CB NEH A 10 -1.699 -5.568 -2.221 1.00 1.30 C HETATM 168 H NEH A 10 -1.427 -2.383 -2.312 1.00 0.31 H HETATM 169 HA2 NEH A 10 -1.389 -4.048 -0.734 1.00 0.89 H HETATM 170 HA3 NEH A 10 -3.093 -4.360 -1.099 1.00 1.15 H HETATM 171 HB1 NEH A 10 -0.678 -5.505 -2.596 1.00 2.13 H HETATM 172 HB2 NEH A 10 -1.775 -6.389 -1.507 1.00 1.68 H HETATM 173 HB3 NEH A 10 -2.375 -5.781 -3.049 1.00 2.19 H