HETATM 1 N PCA A 1 -5.451 1.656 8.052 1.00 0.98 N HETATM 2 CA PCA A 1 -4.089 1.288 8.396 1.00 0.29 C HETATM 3 CB PCA A 1 -3.993 1.461 9.926 1.00 1.27 C HETATM 4 CG PCA A 1 -5.449 1.579 10.391 1.00 1.78 C HETATM 5 CD PCA A 1 -6.219 1.854 9.115 1.00 1.52 C HETATM 6 OE PCA A 1 -7.391 2.215 9.086 1.00 2.24 O HETATM 7 C PCA A 1 -3.806 -0.146 7.955 1.00 0.27 C HETATM 8 O PCA A 1 -4.387 -1.086 8.487 1.00 0.55 O HETATM 9 H PCA A 1 -5.774 1.804 7.109 1.00 1.56 H HETATM 10 HA PCA A 1 -3.389 1.967 7.908 1.00 0.76 H HETATM 11 HB2 PCA A 1 -3.467 2.389 10.149 1.00 1.50 H HETATM 12 HB3 PCA A 1 -3.490 0.621 10.406 1.00 1.77 H HETATM 13 HG2 PCA A 1 -5.566 2.398 11.101 1.00 2.07 H HETATM 14 HG3 PCA A 1 -5.789 0.639 10.827 1.00 2.42 H ATOM 15 N HIS A 2 -2.930 -0.311 6.964 1.00 0.19 N ATOM 16 CA HIS A 2 -2.484 -1.606 6.491 1.00 0.20 C ATOM 17 C HIS A 2 -1.026 -1.447 6.064 1.00 0.17 C ATOM 18 O HIS A 2 -0.130 -1.632 6.879 1.00 0.21 O ATOM 19 CB HIS A 2 -3.428 -2.147 5.397 1.00 0.26 C ATOM 20 CG HIS A 2 -3.923 -1.137 4.387 1.00 0.27 C ATOM 21 ND1 HIS A 2 -4.852 -0.151 4.631 1.00 0.30 N ATOM 22 CD2 HIS A 2 -3.574 -1.054 3.065 1.00 0.30 C ATOM 23 CE1 HIS A 2 -5.030 0.533 3.487 1.00 0.33 C ATOM 24 NE2 HIS A 2 -4.273 0.018 2.506 1.00 0.33 N ATOM 25 H HIS A 2 -2.486 0.478 6.522 1.00 0.40 H ATOM 26 HA HIS A 2 -2.494 -2.316 7.318 1.00 0.23 H ATOM 27 HB2 HIS A 2 -2.946 -2.978 4.882 1.00 0.29 H ATOM 28 HB3 HIS A 2 -4.308 -2.557 5.896 1.00 0.29 H ATOM 29 HD1 HIS A 2 -5.341 -0.005 5.502 1.00 0.31 H ATOM 30 HD2 HIS A 2 -2.872 -1.688 2.545 1.00 0.31 H ATOM 31 HE1 HIS A 2 -5.700 1.372 3.362 1.00 0.37 H ATOM 32 N TRP A 3 -0.789 -1.068 4.809 1.00 0.15 N ATOM 33 CA TRP A 3 0.517 -0.857 4.200 1.00 0.15 C ATOM 34 C TRP A 3 0.254 -0.355 2.771 1.00 0.12 C ATOM 35 O TRP A 3 -0.832 0.149 2.498 1.00 0.20 O ATOM 36 CB TRP A 3 1.353 -2.149 4.218 1.00 0.24 C ATOM 37 CG TRP A 3 0.962 -3.176 3.209 1.00 0.27 C ATOM 38 CD1 TRP A 3 -0.292 -3.614 2.982 1.00 0.28 C ATOM 39 CD2 TRP A 3 1.805 -3.833 2.223 1.00 0.33 C ATOM 40 NE1 TRP A 3 -0.282 -4.521 1.940 1.00 0.34 N ATOM 41 CE2 TRP A 3 0.991 -4.690 1.429 1.00 0.36 C ATOM 42 CE3 TRP A 3 3.178 -3.765 1.916 1.00 0.38 C ATOM 43 CZ2 TRP A 3 1.525 -5.469 0.390 1.00 0.43 C ATOM 44 CZ3 TRP A 3 3.725 -4.542 0.877 1.00 0.45 C ATOM 45 CH2 TRP A 3 2.903 -5.396 0.119 1.00 0.47 C ATOM 46 H TRP A 3 -1.564 -0.793 4.225 1.00 0.15 H ATOM 47 HA TRP A 3 1.062 -0.097 4.757 1.00 0.19 H ATOM 48 HB2 TRP A 3 2.392 -1.875 4.039 1.00 0.27 H ATOM 49 HB3 TRP A 3 1.331 -2.609 5.203 1.00 0.27 H ATOM 50 HD1 TRP A 3 -1.150 -3.268 3.540 1.00 0.26 H ATOM 51 HE1 TRP A 3 -1.115 -4.970 1.587 1.00 0.37 H ATOM 52 HE3 TRP A 3 3.805 -3.115 2.509 1.00 0.38 H ATOM 53 HZ2 TRP A 3 0.886 -6.124 -0.182 1.00 0.46 H ATOM 54 HZ3 TRP A 3 4.785 -4.494 0.673 1.00 0.50 H ATOM 55 HH2 TRP A 3 3.333 -6.003 -0.664 1.00 0.54 H ATOM 56 N SER A 4 1.212 -0.545 1.863 1.00 0.15 N ATOM 57 CA SER A 4 1.229 -0.142 0.459 1.00 0.11 C ATOM 58 C SER A 4 1.949 1.189 0.352 1.00 0.13 C ATOM 59 O SER A 4 1.411 2.231 0.709 1.00 0.18 O ATOM 60 CB SER A 4 -0.154 -0.007 -0.196 1.00 0.18 C ATOM 61 OG SER A 4 -0.926 -1.180 -0.060 1.00 0.28 O ATOM 62 H SER A 4 1.991 -1.099 2.175 1.00 0.23 H ATOM 63 HA SER A 4 1.799 -0.884 -0.101 1.00 0.09 H ATOM 64 HB2 SER A 4 -0.695 0.839 0.228 1.00 0.26 H ATOM 65 HB3 SER A 4 0.000 0.192 -1.254 1.00 0.16 H ATOM 66 HG SER A 4 -1.322 -1.115 0.819 1.00 0.49 H ATOM 67 N TYR A 5 3.150 1.180 -0.218 1.00 0.12 N ATOM 68 CA TYR A 5 3.953 2.384 -0.395 1.00 0.15 C ATOM 69 C TYR A 5 3.520 3.202 -1.623 1.00 0.14 C ATOM 70 O TYR A 5 4.310 3.943 -2.200 1.00 0.18 O ATOM 71 CB TYR A 5 5.418 1.956 -0.479 1.00 0.17 C ATOM 72 CG TYR A 5 6.315 2.585 0.555 1.00 0.24 C ATOM 73 CD1 TYR A 5 7.046 3.738 0.224 1.00 1.99 C ATOM 74 CD2 TYR A 5 6.443 2.002 1.828 1.00 1.78 C ATOM 75 CE1 TYR A 5 7.927 4.300 1.158 1.00 2.04 C ATOM 76 CE2 TYR A 5 7.322 2.562 2.770 1.00 1.77 C ATOM 77 CZ TYR A 5 8.077 3.713 2.435 1.00 0.41 C ATOM 78 OH TYR A 5 8.951 4.256 3.326 1.00 0.51 O ATOM 79 H TYR A 5 3.552 0.300 -0.502 1.00 0.11 H ATOM 80 HA TYR A 5 3.836 3.020 0.474 1.00 0.18 H ATOM 81 HB2 TYR A 5 5.490 0.874 -0.401 1.00 0.16 H ATOM 82 HB3 TYR A 5 5.807 2.226 -1.448 1.00 0.19 H ATOM 83 HD1 TYR A 5 6.936 4.188 -0.753 1.00 3.41 H ATOM 84 HD2 TYR A 5 5.876 1.119 2.081 1.00 3.22 H ATOM 85 HE1 TYR A 5 8.492 5.178 0.891 1.00 3.49 H ATOM 86 HE2 TYR A 5 7.413 2.098 3.739 1.00 3.19 H ATOM 87 HH TYR A 5 9.018 3.769 4.150 1.00 1.24 H HETATM 88 N DLE A 6 2.274 3.031 -2.065 1.00 0.11 N HETATM 89 CA DLE A 6 1.768 3.617 -3.304 1.00 0.10 C HETATM 90 CB DLE A 6 0.231 3.708 -3.288 1.00 0.13 C HETATM 91 CG DLE A 6 -0.501 2.442 -3.770 1.00 0.26 C HETATM 92 CD1 DLE A 6 -1.043 2.609 -5.195 1.00 0.45 C HETATM 93 CD2 DLE A 6 -1.697 2.153 -2.861 1.00 0.39 C HETATM 94 C DLE A 6 2.300 2.883 -4.533 1.00 0.09 C HETATM 95 O DLE A 6 2.144 3.349 -5.655 1.00 0.17 O HETATM 96 H DLE A 6 1.680 2.459 -1.496 1.00 0.11 H HETATM 97 HA DLE A 6 2.155 4.627 -3.361 1.00 0.13 H HETATM 98 HB2 DLE A 6 -0.069 4.544 -3.922 1.00 0.29 H HETATM 99 HB3 DLE A 6 -0.086 3.953 -2.273 1.00 0.23 H HETATM 100 HG DLE A 6 0.175 1.586 -3.737 1.00 0.29 H HETATM 101 HD11 DLE A 6 -0.236 2.837 -5.890 1.00 1.51 H HETATM 102 HD12 DLE A 6 -1.767 3.424 -5.225 1.00 1.56 H HETATM 103 HD13 DLE A 6 -1.532 1.691 -5.520 1.00 1.32 H HETATM 104 HD21 DLE A 6 -2.373 3.008 -2.849 1.00 1.47 H HETATM 105 HD22 DLE A 6 -1.356 1.956 -1.846 1.00 1.23 H HETATM 106 HD23 DLE A 6 -2.233 1.281 -3.228 1.00 1.44 H ATOM 107 N LEU A 7 2.925 1.723 -4.323 1.00 0.08 N ATOM 108 CA LEU A 7 3.530 0.943 -5.391 1.00 0.11 C ATOM 109 C LEU A 7 2.526 -0.060 -5.956 1.00 0.14 C ATOM 110 O LEU A 7 2.704 -0.563 -7.060 1.00 0.21 O ATOM 111 CB LEU A 7 4.773 0.199 -4.878 1.00 0.13 C ATOM 112 CG LEU A 7 5.621 1.007 -3.885 1.00 0.16 C ATOM 113 CD1 LEU A 7 6.834 0.185 -3.443 1.00 0.19 C ATOM 114 CD2 LEU A 7 6.098 2.341 -4.468 1.00 0.23 C ATOM 115 H LEU A 7 3.078 1.438 -3.370 1.00 0.08 H ATOM 116 HA LEU A 7 3.832 1.621 -6.189 1.00 0.14 H ATOM 117 HB2 LEU A 7 4.458 -0.719 -4.380 1.00 0.13 H ATOM 118 HB3 LEU A 7 5.387 -0.078 -5.738 1.00 0.19 H ATOM 119 HG LEU A 7 5.009 1.195 -3.003 1.00 0.17 H ATOM 120 HD11 LEU A 7 7.358 -0.209 -4.314 1.00 1.22 H ATOM 121 HD12 LEU A 7 7.519 0.814 -2.874 1.00 1.09 H ATOM 122 HD13 LEU A 7 6.510 -0.640 -2.810 1.00 1.18 H ATOM 123 HD21 LEU A 7 6.726 2.171 -5.341 1.00 1.62 H ATOM 124 HD22 LEU A 7 5.248 2.961 -4.751 1.00 1.49 H ATOM 125 HD23 LEU A 7 6.666 2.888 -3.715 1.00 1.38 H ATOM 126 N ARG A 8 1.513 -0.424 -5.162 1.00 0.11 N ATOM 127 CA ARG A 8 0.563 -1.477 -5.458 1.00 0.18 C ATOM 128 C ARG A 8 -0.596 -1.380 -4.473 1.00 0.13 C ATOM 129 O ARG A 8 -0.384 -1.066 -3.300 1.00 0.13 O ATOM 130 CB ARG A 8 1.250 -2.841 -5.321 1.00 0.28 C ATOM 131 CG ARG A 8 1.788 -3.071 -3.899 1.00 0.31 C ATOM 132 CD ARG A 8 3.155 -3.758 -3.922 1.00 0.46 C ATOM 133 NE ARG A 8 3.045 -5.207 -4.160 1.00 0.54 N ATOM 134 CZ ARG A 8 3.999 -6.002 -4.666 1.00 0.72 C ATOM 135 NH1 ARG A 8 5.137 -5.485 -5.133 1.00 1.80 N ATOM 136 NH2 ARG A 8 3.815 -7.323 -4.698 1.00 0.69 N ATOM 137 H ARG A 8 1.359 0.037 -4.282 1.00 0.08 H ATOM 138 HA ARG A 8 0.219 -1.335 -6.480 1.00 0.26 H ATOM 139 HB2 ARG A 8 0.540 -3.630 -5.568 1.00 0.32 H ATOM 140 HB3 ARG A 8 2.066 -2.885 -6.040 1.00 0.37 H ATOM 141 HG2 ARG A 8 1.922 -2.120 -3.387 1.00 0.23 H ATOM 142 HG3 ARG A 8 1.064 -3.652 -3.325 1.00 0.39 H ATOM 143 HD2 ARG A 8 3.766 -3.272 -4.684 1.00 0.53 H ATOM 144 HD3 ARG A 8 3.634 -3.594 -2.955 1.00 0.57 H ATOM 145 HE ARG A 8 2.183 -5.624 -3.840 1.00 1.35 H ATOM 146 HH11 ARG A 8 5.278 -4.488 -5.129 1.00 1.96 H ATOM 147 HH12 ARG A 8 5.867 -6.060 -5.524 1.00 2.54 H ATOM 148 HH21 ARG A 8 2.969 -7.742 -4.341 1.00 0.83 H ATOM 149 HH22 ARG A 8 4.518 -7.946 -5.065 1.00 1.25 H ATOM 150 N PRO A 9 -1.817 -1.692 -4.897 1.00 0.18 N ATOM 151 CA PRO A 9 -2.994 -1.657 -4.049 1.00 0.22 C ATOM 152 C PRO A 9 -3.024 -2.889 -3.141 1.00 0.25 C ATOM 153 O PRO A 9 -3.857 -3.773 -3.329 1.00 0.35 O ATOM 154 CB PRO A 9 -4.150 -1.637 -5.049 1.00 0.29 C ATOM 155 CG PRO A 9 -3.611 -2.514 -6.176 1.00 0.30 C ATOM 156 CD PRO A 9 -2.153 -2.076 -6.252 1.00 0.27 C ATOM 157 HA PRO A 9 -3.020 -0.756 -3.439 1.00 0.26 H ATOM 158 HB2 PRO A 9 -5.078 -2.021 -4.629 1.00 0.34 H ATOM 159 HB3 PRO A 9 -4.280 -0.619 -5.416 1.00 0.35 H ATOM 160 HG2 PRO A 9 -3.652 -3.559 -5.869 1.00 0.30 H ATOM 161 HG3 PRO A 9 -4.138 -2.351 -7.117 1.00 0.38 H ATOM 162 HD2 PRO A 9 -1.523 -2.896 -6.598 1.00 0.30 H ATOM 163 HD3 PRO A 9 -2.048 -1.210 -6.904 1.00 0.32 H TER 164 PRO A 9 HETATM 165 N NEH A 10 -2.108 -2.971 -2.172 1.00 0.27 N HETATM 166 CA NEH A 10 -2.069 -4.070 -1.214 1.00 0.39 C HETATM 167 CB NEH A 10 -1.464 -5.326 -1.848 1.00 1.23 C HETATM 168 H NEH A 10 -1.481 -2.176 -2.035 1.00 0.26 H HETATM 169 HA2 NEH A 10 -1.463 -3.776 -0.360 1.00 1.15 H HETATM 170 HA3 NEH A 10 -3.080 -4.288 -0.866 1.00 1.12 H HETATM 171 HB1 NEH A 10 -0.425 -5.149 -2.119 1.00 2.21 H HETATM 172 HB2 NEH A 10 -1.517 -6.151 -1.137 1.00 1.67 H HETATM 173 HB3 NEH A 10 -2.029 -5.604 -2.739 1.00 2.00 H