HETATM 1 N PCA A 1 -5.545 1.417 8.500 1.00 0.82 N HETATM 2 CA PCA A 1 -4.107 1.301 8.341 1.00 0.29 C HETATM 3 CB PCA A 1 -3.505 1.752 9.686 1.00 0.86 C HETATM 4 CG PCA A 1 -4.700 1.805 10.646 1.00 1.25 C HETATM 5 CD PCA A 1 -5.907 1.743 9.732 1.00 1.15 C HETATM 6 OE PCA A 1 -7.057 1.962 10.101 1.00 1.68 O HETATM 7 C PCA A 1 -3.731 -0.136 7.985 1.00 0.24 C HETATM 8 O PCA A 1 -4.099 -1.070 8.690 1.00 0.50 O HETATM 9 H PCA A 1 -6.207 1.254 7.758 1.00 1.22 H HETATM 10 HA PCA A 1 -3.771 1.974 7.553 1.00 0.56 H HETATM 11 HB2 PCA A 1 -3.087 2.753 9.574 1.00 1.00 H HETATM 12 HB3 PCA A 1 -2.738 1.064 10.046 1.00 1.19 H HETATM 13 HG2 PCA A 1 -4.694 2.727 11.228 1.00 1.44 H HETATM 14 HG3 PCA A 1 -4.698 0.934 11.302 1.00 1.68 H ATOM 15 N HIS A 2 -3.007 -0.306 6.879 1.00 0.17 N ATOM 16 CA HIS A 2 -2.531 -1.593 6.410 1.00 0.16 C ATOM 17 C HIS A 2 -1.067 -1.411 6.023 1.00 0.14 C ATOM 18 O HIS A 2 -0.191 -1.585 6.862 1.00 0.19 O ATOM 19 CB HIS A 2 -3.444 -2.140 5.292 1.00 0.25 C ATOM 20 CG HIS A 2 -3.982 -1.115 4.316 1.00 0.24 C ATOM 21 ND1 HIS A 2 -4.996 -0.221 4.583 1.00 0.32 N ATOM 22 CD2 HIS A 2 -3.608 -0.933 3.010 1.00 0.23 C ATOM 23 CE1 HIS A 2 -5.210 0.498 3.467 1.00 0.35 C ATOM 24 NE2 HIS A 2 -4.387 0.099 2.485 1.00 0.27 N ATOM 25 H HIS A 2 -2.732 0.482 6.315 1.00 0.36 H ATOM 26 HA HIS A 2 -2.547 -2.314 7.227 1.00 0.19 H ATOM 27 HB2 HIS A 2 -2.925 -2.929 4.751 1.00 0.29 H ATOM 28 HB3 HIS A 2 -4.305 -2.604 5.772 1.00 0.32 H ATOM 29 HD1 HIS A 2 -5.514 -0.150 5.446 1.00 0.38 H ATOM 30 HD2 HIS A 2 -2.848 -1.481 2.470 1.00 0.26 H ATOM 31 HE1 HIS A 2 -5.949 1.280 3.364 1.00 0.44 H ATOM 32 N TRP A 3 -0.799 -1.033 4.776 1.00 0.14 N ATOM 33 CA TRP A 3 0.530 -0.812 4.225 1.00 0.19 C ATOM 34 C TRP A 3 0.322 -0.268 2.806 1.00 0.20 C ATOM 35 O TRP A 3 -0.723 0.314 2.539 1.00 0.24 O ATOM 36 CB TRP A 3 1.351 -2.111 4.243 1.00 0.26 C ATOM 37 CG TRP A 3 0.992 -3.118 3.200 1.00 0.31 C ATOM 38 CD1 TRP A 3 -0.253 -3.558 2.920 1.00 0.31 C ATOM 39 CD2 TRP A 3 1.874 -3.756 2.238 1.00 0.41 C ATOM 40 NE1 TRP A 3 -0.199 -4.436 1.853 1.00 0.41 N ATOM 41 CE2 TRP A 3 1.095 -4.602 1.399 1.00 0.46 C ATOM 42 CE3 TRP A 3 3.259 -3.685 1.992 1.00 0.48 C ATOM 43 CZ2 TRP A 3 1.674 -5.372 0.378 1.00 0.56 C ATOM 44 CZ3 TRP A 3 3.852 -4.453 0.973 1.00 0.58 C ATOM 45 CH2 TRP A 3 3.064 -5.300 0.172 1.00 0.62 C ATOM 46 H TRP A 3 -1.557 -0.763 4.166 1.00 0.15 H ATOM 47 HA TRP A 3 1.054 -0.067 4.825 1.00 0.22 H ATOM 48 HB2 TRP A 3 2.398 -1.842 4.108 1.00 0.31 H ATOM 49 HB3 TRP A 3 1.292 -2.592 5.219 1.00 0.25 H ATOM 50 HD1 TRP A 3 -1.136 -3.242 3.459 1.00 0.27 H ATOM 51 HE1 TRP A 3 -1.015 -4.895 1.468 1.00 0.45 H ATOM 52 HE3 TRP A 3 3.863 -3.044 2.619 1.00 0.47 H ATOM 53 HZ2 TRP A 3 1.062 -6.020 -0.230 1.00 0.61 H ATOM 54 HZ3 TRP A 3 4.920 -4.404 0.817 1.00 0.64 H ATOM 55 HH2 TRP A 3 3.530 -5.901 -0.595 1.00 0.71 H ATOM 56 N SER A 4 1.269 -0.523 1.899 1.00 0.20 N ATOM 57 CA SER A 4 1.286 -0.170 0.483 1.00 0.14 C ATOM 58 C SER A 4 1.930 1.195 0.312 1.00 0.13 C ATOM 59 O SER A 4 1.331 2.225 0.596 1.00 0.17 O ATOM 60 CB SER A 4 -0.091 -0.193 -0.189 1.00 0.19 C ATOM 61 OG SER A 4 -0.656 -1.486 -0.137 1.00 0.38 O ATOM 62 H SER A 4 2.040 -1.086 2.216 1.00 0.27 H ATOM 63 HA SER A 4 1.910 -0.900 -0.032 1.00 0.17 H ATOM 64 HB2 SER A 4 -0.766 0.537 0.257 1.00 0.25 H ATOM 65 HB3 SER A 4 0.048 0.081 -1.232 1.00 0.16 H ATOM 66 HG SER A 4 -0.775 -1.702 0.794 1.00 0.71 H ATOM 67 N TYR A 5 3.146 1.210 -0.230 1.00 0.13 N ATOM 68 CA TYR A 5 3.930 2.426 -0.425 1.00 0.16 C ATOM 69 C TYR A 5 3.488 3.226 -1.661 1.00 0.14 C ATOM 70 O TYR A 5 4.263 3.991 -2.226 1.00 0.17 O ATOM 71 CB TYR A 5 5.405 2.022 -0.501 1.00 0.19 C ATOM 72 CG TYR A 5 6.299 2.658 0.535 1.00 0.26 C ATOM 73 CD1 TYR A 5 6.738 3.979 0.342 1.00 2.05 C ATOM 74 CD2 TYR A 5 6.739 1.921 1.650 1.00 1.76 C ATOM 75 CE1 TYR A 5 7.634 4.562 1.254 1.00 2.11 C ATOM 76 CE2 TYR A 5 7.636 2.496 2.565 1.00 1.74 C ATOM 77 CZ TYR A 5 8.096 3.820 2.365 1.00 0.47 C ATOM 78 OH TYR A 5 8.989 4.385 3.224 1.00 0.61 O ATOM 79 H TYR A 5 3.583 0.332 -0.462 1.00 0.13 H ATOM 80 HA TYR A 5 3.801 3.068 0.435 1.00 0.19 H ATOM 81 HB2 TYR A 5 5.491 0.939 -0.436 1.00 0.18 H ATOM 82 HB3 TYR A 5 5.793 2.307 -1.466 1.00 0.19 H ATOM 83 HD1 TYR A 5 6.400 4.540 -0.519 1.00 3.46 H ATOM 84 HD2 TYR A 5 6.404 0.904 1.798 1.00 3.21 H ATOM 85 HE1 TYR A 5 7.984 5.571 1.098 1.00 3.56 H ATOM 86 HE2 TYR A 5 7.975 1.915 3.410 1.00 3.17 H ATOM 87 HH TYR A 5 9.310 3.785 3.899 1.00 1.26 H HETATM 88 N DLE A 6 2.255 3.017 -2.123 1.00 0.12 N HETATM 89 CA DLE A 6 1.757 3.558 -3.385 1.00 0.14 C HETATM 90 CB DLE A 6 0.224 3.623 -3.398 1.00 0.14 C HETATM 91 CG DLE A 6 -0.455 2.241 -3.470 1.00 0.36 C HETATM 92 CD1 DLE A 6 -1.234 2.075 -4.776 1.00 0.66 C HETATM 93 CD2 DLE A 6 -1.419 2.095 -2.290 1.00 0.64 C HETATM 94 C DLE A 6 2.265 2.773 -4.588 1.00 0.15 C HETATM 95 O DLE A 6 1.987 3.129 -5.727 1.00 0.29 O HETATM 96 H DLE A 6 1.665 2.438 -1.557 1.00 0.11 H HETATM 97 HA DLE A 6 2.142 4.566 -3.480 1.00 0.19 H HETATM 98 HB2 DLE A 6 -0.080 4.215 -4.263 1.00 0.41 H HETATM 99 HB3 DLE A 6 -0.108 4.163 -2.510 1.00 0.34 H HETATM 100 HG DLE A 6 0.291 1.444 -3.426 1.00 0.38 H HETATM 101 HD11 DLE A 6 -1.927 2.905 -4.909 1.00 1.53 H HETATM 102 HD12 DLE A 6 -1.803 1.148 -4.754 1.00 1.86 H HETATM 103 HD13 DLE A 6 -0.539 2.050 -5.617 1.00 1.26 H HETATM 104 HD21 DLE A 6 -2.227 2.821 -2.379 1.00 1.29 H HETATM 105 HD22 DLE A 6 -0.891 2.276 -1.353 1.00 1.76 H HETATM 106 HD23 DLE A 6 -1.843 1.091 -2.275 1.00 1.49 H ATOM 107 N LEU A 7 2.989 1.685 -4.340 1.00 0.10 N ATOM 108 CA LEU A 7 3.597 0.890 -5.392 1.00 0.13 C ATOM 109 C LEU A 7 2.583 -0.121 -5.924 1.00 0.17 C ATOM 110 O LEU A 7 2.751 -0.650 -7.018 1.00 0.26 O ATOM 111 CB LEU A 7 4.855 0.165 -4.879 1.00 0.14 C ATOM 112 CG LEU A 7 5.666 0.947 -3.831 1.00 0.15 C ATOM 113 CD1 LEU A 7 6.909 0.150 -3.430 1.00 0.19 C ATOM 114 CD2 LEU A 7 6.110 2.324 -4.335 1.00 0.17 C ATOM 115 H LEU A 7 3.163 1.438 -3.382 1.00 0.10 H ATOM 116 HA LEU A 7 3.886 1.557 -6.205 1.00 0.16 H ATOM 117 HB2 LEU A 7 4.555 -0.782 -4.431 1.00 0.17 H ATOM 118 HB3 LEU A 7 5.494 -0.058 -5.734 1.00 0.18 H ATOM 119 HG LEU A 7 5.045 1.062 -2.938 1.00 0.15 H ATOM 120 HD11 LEU A 7 6.647 -0.890 -3.239 1.00 1.26 H ATOM 121 HD12 LEU A 7 7.653 0.192 -4.226 1.00 1.32 H ATOM 122 HD13 LEU A 7 7.339 0.576 -2.523 1.00 1.30 H ATOM 123 HD21 LEU A 7 6.715 2.820 -3.574 1.00 1.37 H ATOM 124 HD22 LEU A 7 6.699 2.221 -5.245 1.00 1.39 H ATOM 125 HD23 LEU A 7 5.249 2.957 -4.540 1.00 1.37 H ATOM 126 N ARG A 8 1.567 -0.456 -5.118 1.00 0.13 N ATOM 127 CA ARG A 8 0.589 -1.481 -5.423 1.00 0.19 C ATOM 128 C ARG A 8 -0.587 -1.377 -4.463 1.00 0.13 C ATOM 129 O ARG A 8 -0.406 -1.065 -3.286 1.00 0.15 O ATOM 130 CB ARG A 8 1.237 -2.864 -5.290 1.00 0.30 C ATOM 131 CG ARG A 8 1.748 -3.107 -3.860 1.00 0.34 C ATOM 132 CD ARG A 8 3.100 -3.821 -3.865 1.00 0.51 C ATOM 133 NE ARG A 8 2.958 -5.266 -4.100 1.00 0.60 N ATOM 134 CZ ARG A 8 3.953 -6.105 -4.418 1.00 0.71 C ATOM 135 NH1 ARG A 8 5.175 -5.637 -4.672 1.00 1.73 N ATOM 136 NH2 ARG A 8 3.725 -7.419 -4.473 1.00 0.70 N ATOM 137 H ARG A 8 1.418 0.020 -4.245 1.00 0.07 H ATOM 138 HA ARG A 8 0.257 -1.301 -6.440 1.00 0.25 H ATOM 139 HB2 ARG A 8 0.511 -3.634 -5.548 1.00 0.33 H ATOM 140 HB3 ARG A 8 2.060 -2.929 -5.999 1.00 0.40 H ATOM 141 HG2 ARG A 8 1.894 -2.161 -3.344 1.00 0.25 H ATOM 142 HG3 ARG A 8 1.004 -3.676 -3.297 1.00 0.42 H ATOM 143 HD2 ARG A 8 3.730 -3.357 -4.626 1.00 0.57 H ATOM 144 HD3 ARG A 8 3.570 -3.663 -2.893 1.00 0.63 H ATOM 145 HE ARG A 8 2.033 -5.638 -3.940 1.00 1.38 H ATOM 146 HH11 ARG A 8 5.346 -4.643 -4.650 1.00 1.90 H ATOM 147 HH12 ARG A 8 5.944 -6.241 -4.918 1.00 2.44 H ATOM 148 HH21 ARG A 8 2.811 -7.798 -4.273 1.00 0.91 H ATOM 149 HH22 ARG A 8 4.457 -8.074 -4.701 1.00 1.20 H ATOM 150 N PRO A 9 -1.798 -1.682 -4.918 1.00 0.17 N ATOM 151 CA PRO A 9 -2.999 -1.615 -4.110 1.00 0.23 C ATOM 152 C PRO A 9 -3.080 -2.842 -3.193 1.00 0.27 C ATOM 153 O PRO A 9 -3.908 -3.715 -3.432 1.00 0.36 O ATOM 154 CB PRO A 9 -4.120 -1.582 -5.151 1.00 0.30 C ATOM 155 CG PRO A 9 -3.564 -2.480 -6.254 1.00 0.28 C ATOM 156 CD PRO A 9 -2.094 -2.076 -6.279 1.00 0.26 C ATOM 157 HA PRO A 9 -3.026 -0.702 -3.513 1.00 0.28 H ATOM 158 HB2 PRO A 9 -5.072 -1.942 -4.762 1.00 0.36 H ATOM 159 HB3 PRO A 9 -4.218 -0.566 -5.533 1.00 0.37 H ATOM 160 HG2 PRO A 9 -3.639 -3.522 -5.944 1.00 0.27 H ATOM 161 HG3 PRO A 9 -4.052 -2.311 -7.213 1.00 0.37 H ATOM 162 HD2 PRO A 9 -1.470 -2.913 -6.593 1.00 0.30 H ATOM 163 HD3 PRO A 9 -1.945 -1.219 -6.937 1.00 0.32 H TER 164 PRO A 9 HETATM 165 N NEH A 10 -2.219 -2.900 -2.166 1.00 0.34 N HETATM 166 CA NEH A 10 -2.034 -3.972 -1.181 1.00 0.44 C HETATM 167 CB NEH A 10 -2.613 -5.329 -1.597 1.00 1.33 C HETATM 168 H NEH A 10 -1.580 -2.109 -2.058 1.00 0.31 H HETATM 169 HA2 NEH A 10 -0.965 -4.097 -1.005 1.00 0.94 H HETATM 170 HA3 NEH A 10 -2.500 -3.670 -0.242 1.00 1.29 H HETATM 171 HB1 NEH A 10 -2.304 -6.089 -0.880 1.00 2.29 H HETATM 172 HB2 NEH A 10 -3.703 -5.293 -1.600 1.00 2.49 H HETATM 173 HB3 NEH A 10 -2.249 -5.609 -2.586 1.00 1.94 H