HETATM 1 N PCA A 1 -4.803 1.758 9.498 1.00 1.10 N HETATM 2 CA PCA A 1 -3.852 1.623 8.410 1.00 0.30 C HETATM 3 CB PCA A 1 -2.554 2.287 8.909 1.00 1.24 C HETATM 4 CG PCA A 1 -2.794 2.546 10.401 1.00 1.82 C HETATM 5 CD PCA A 1 -4.274 2.284 10.595 1.00 1.64 C HETATM 6 OE PCA A 1 -4.879 2.517 11.637 1.00 2.40 O HETATM 7 C PCA A 1 -3.662 0.151 8.038 1.00 0.26 C HETATM 8 O PCA A 1 -4.105 -0.740 8.756 1.00 0.50 O HETATM 9 H PCA A 1 -5.742 1.394 9.453 1.00 1.67 H HETATM 10 HA PCA A 1 -4.223 2.163 7.539 1.00 0.72 H HETATM 11 HB2 PCA A 1 -2.415 3.239 8.393 1.00 1.43 H HETATM 12 HB3 PCA A 1 -1.682 1.649 8.759 1.00 1.73 H HETATM 13 HG2 PCA A 1 -2.544 3.574 10.665 1.00 2.10 H HETATM 14 HG3 PCA A 1 -2.219 1.844 11.006 1.00 2.46 H ATOM 15 N HIS A 2 -3.017 -0.099 6.899 1.00 0.19 N ATOM 16 CA HIS A 2 -2.728 -1.431 6.406 1.00 0.21 C ATOM 17 C HIS A 2 -1.265 -1.429 5.973 1.00 0.17 C ATOM 18 O HIS A 2 -0.391 -1.704 6.787 1.00 0.20 O ATOM 19 CB HIS A 2 -3.739 -1.835 5.313 1.00 0.32 C ATOM 20 CG HIS A 2 -4.184 -0.725 4.383 1.00 0.37 C ATOM 21 ND1 HIS A 2 -5.080 0.272 4.705 1.00 0.40 N ATOM 22 CD2 HIS A 2 -3.818 -0.541 3.075 1.00 0.44 C ATOM 23 CE1 HIS A 2 -5.227 1.052 3.620 1.00 0.48 C ATOM 24 NE2 HIS A 2 -4.479 0.595 2.606 1.00 0.50 N ATOM 25 H HIS A 2 -2.675 0.649 6.316 1.00 0.37 H ATOM 26 HA HIS A 2 -2.813 -2.154 7.217 1.00 0.24 H ATOM 27 HB2 HIS A 2 -3.337 -2.664 4.731 1.00 0.38 H ATOM 28 HB3 HIS A 2 -4.633 -2.207 5.814 1.00 0.35 H ATOM 29 HD1 HIS A 2 -5.566 0.377 5.584 1.00 0.39 H ATOM 30 HD2 HIS A 2 -3.132 -1.150 2.502 1.00 0.46 H ATOM 31 HE1 HIS A 2 -5.867 1.922 3.563 1.00 0.54 H ATOM 32 N TRP A 3 -0.995 -1.085 4.717 1.00 0.16 N ATOM 33 CA TRP A 3 0.331 -0.981 4.124 1.00 0.18 C ATOM 34 C TRP A 3 0.129 -0.435 2.704 1.00 0.17 C ATOM 35 O TRP A 3 -0.892 0.191 2.441 1.00 0.21 O ATOM 36 CB TRP A 3 1.046 -2.341 4.133 1.00 0.26 C ATOM 37 CG TRP A 3 0.574 -3.322 3.114 1.00 0.30 C ATOM 38 CD1 TRP A 3 -0.711 -3.657 2.884 1.00 0.30 C ATOM 39 CD2 TRP A 3 1.366 -4.031 2.122 1.00 0.37 C ATOM 40 NE1 TRP A 3 -0.768 -4.556 1.835 1.00 0.37 N ATOM 41 CE2 TRP A 3 0.491 -4.824 1.329 1.00 0.41 C ATOM 42 CE3 TRP A 3 2.741 -4.064 1.813 1.00 0.42 C ATOM 43 CZ2 TRP A 3 0.969 -5.637 0.289 1.00 0.48 C ATOM 44 CZ3 TRP A 3 3.229 -4.870 0.767 1.00 0.50 C ATOM 45 CH2 TRP A 3 2.345 -5.660 0.010 1.00 0.53 C ATOM 46 H TRP A 3 -1.740 -0.743 4.130 1.00 0.16 H ATOM 47 HA TRP A 3 0.931 -0.278 4.699 1.00 0.21 H ATOM 48 HB2 TRP A 3 2.108 -2.159 3.965 1.00 0.30 H ATOM 49 HB3 TRP A 3 0.976 -2.808 5.115 1.00 0.29 H ATOM 50 HD1 TRP A 3 -1.542 -3.254 3.447 1.00 0.28 H ATOM 51 HE1 TRP A 3 -1.630 -4.945 1.478 1.00 0.40 H ATOM 52 HE3 TRP A 3 3.418 -3.465 2.406 1.00 0.42 H ATOM 53 HZ2 TRP A 3 0.288 -6.245 -0.285 1.00 0.52 H ATOM 54 HZ3 TRP A 3 4.289 -4.895 0.557 1.00 0.55 H ATOM 55 HH2 TRP A 3 2.727 -6.291 -0.779 1.00 0.60 H ATOM 56 N SER A 4 1.051 -0.729 1.787 1.00 0.20 N ATOM 57 CA SER A 4 1.105 -0.282 0.399 1.00 0.16 C ATOM 58 C SER A 4 1.735 1.100 0.327 1.00 0.17 C ATOM 59 O SER A 4 1.106 2.105 0.636 1.00 0.26 O ATOM 60 CB SER A 4 -0.257 -0.269 -0.303 1.00 0.23 C ATOM 61 OG SER A 4 -0.874 -1.538 -0.247 1.00 0.35 O ATOM 62 H SER A 4 1.769 -1.369 2.081 1.00 0.27 H ATOM 63 HA SER A 4 1.749 -0.973 -0.148 1.00 0.12 H ATOM 64 HB2 SER A 4 -0.912 0.487 0.130 1.00 0.32 H ATOM 65 HB3 SER A 4 -0.089 -0.006 -1.345 1.00 0.19 H ATOM 66 HG SER A 4 -1.154 -1.661 0.668 1.00 0.54 H ATOM 67 N TYR A 5 2.971 1.170 -0.164 1.00 0.14 N ATOM 68 CA TYR A 5 3.724 2.417 -0.269 1.00 0.21 C ATOM 69 C TYR A 5 3.326 3.250 -1.499 1.00 0.19 C ATOM 70 O TYR A 5 4.112 4.044 -2.005 1.00 0.23 O ATOM 71 CB TYR A 5 5.212 2.063 -0.278 1.00 0.26 C ATOM 72 CG TYR A 5 6.028 2.712 0.813 1.00 0.35 C ATOM 73 CD1 TYR A 5 6.217 2.055 2.043 1.00 1.74 C ATOM 74 CD2 TYR A 5 6.630 3.960 0.576 1.00 1.64 C ATOM 75 CE1 TYR A 5 7.028 2.639 3.030 1.00 1.77 C ATOM 76 CE2 TYR A 5 7.447 4.546 1.557 1.00 1.66 C ATOM 77 CZ TYR A 5 7.654 3.882 2.789 1.00 0.48 C ATOM 78 OH TYR A 5 8.460 4.422 3.746 1.00 0.55 O ATOM 79 H TYR A 5 3.443 0.316 -0.417 1.00 0.12 H ATOM 80 HA TYR A 5 3.529 3.020 0.606 1.00 0.27 H ATOM 81 HB2 TYR A 5 5.332 0.984 -0.213 1.00 0.26 H ATOM 82 HB3 TYR A 5 5.638 2.366 -1.223 1.00 0.26 H ATOM 83 HD1 TYR A 5 5.753 1.098 2.227 1.00 2.99 H ATOM 84 HD2 TYR A 5 6.474 4.463 -0.369 1.00 2.89 H ATOM 85 HE1 TYR A 5 7.185 2.133 3.970 1.00 3.02 H ATOM 86 HE2 TYR A 5 7.908 5.497 1.347 1.00 2.91 H ATOM 87 HH TYR A 5 8.886 5.238 3.476 1.00 1.29 H HETATM 88 N DLE A 6 2.118 3.034 -2.022 1.00 0.14 N HETATM 89 CA DLE A 6 1.660 3.616 -3.281 1.00 0.12 C HETATM 90 CB DLE A 6 0.126 3.638 -3.353 1.00 0.13 C HETATM 91 CG DLE A 6 -0.503 2.268 -3.676 1.00 0.25 C HETATM 92 CD1 DLE A 6 -1.132 2.264 -5.072 1.00 0.44 C HETATM 93 CD2 DLE A 6 -1.587 1.946 -2.648 1.00 0.40 C HETATM 94 C DLE A 6 2.256 2.903 -4.491 1.00 0.10 C HETATM 95 O DLE A 6 2.064 3.329 -5.624 1.00 0.16 O HETATM 96 H DLE A 6 1.519 2.424 -1.499 1.00 0.13 H HETATM 97 HA DLE A 6 2.014 4.641 -3.312 1.00 0.15 H HETATM 98 HB2 DLE A 6 -0.169 4.351 -4.123 1.00 0.28 H HETATM 99 HB3 DLE A 6 -0.260 4.017 -2.406 1.00 0.25 H HETATM 100 HG DLE A 6 0.255 1.482 -3.640 1.00 0.28 H HETATM 101 HD11 DLE A 6 -1.501 1.268 -5.314 1.00 1.86 H HETATM 102 HD12 DLE A 6 -0.391 2.556 -5.818 1.00 1.63 H HETATM 103 HD13 DLE A 6 -1.963 2.970 -5.109 1.00 1.66 H HETATM 104 HD21 DLE A 6 -1.967 0.940 -2.812 1.00 1.76 H HETATM 105 HD22 DLE A 6 -2.408 2.658 -2.733 1.00 1.49 H HETATM 106 HD23 DLE A 6 -1.175 2.011 -1.641 1.00 1.81 H ATOM 107 N LEU A 7 2.963 1.797 -4.256 1.00 0.10 N ATOM 108 CA LEU A 7 3.642 1.054 -5.303 1.00 0.15 C ATOM 109 C LEU A 7 2.690 0.032 -5.927 1.00 0.17 C ATOM 110 O LEU A 7 2.916 -0.426 -7.042 1.00 0.25 O ATOM 111 CB LEU A 7 4.886 0.336 -4.748 1.00 0.20 C ATOM 112 CG LEU A 7 5.633 1.103 -3.645 1.00 0.22 C ATOM 113 CD1 LEU A 7 6.875 0.321 -3.211 1.00 0.27 C ATOM 114 CD2 LEU A 7 6.069 2.502 -4.094 1.00 0.31 C ATOM 115 H LEU A 7 3.094 1.517 -3.300 1.00 0.10 H ATOM 116 HA LEU A 7 3.959 1.755 -6.076 1.00 0.17 H ATOM 117 HB2 LEU A 7 4.577 -0.624 -4.333 1.00 0.19 H ATOM 118 HB3 LEU A 7 5.568 0.139 -5.576 1.00 0.28 H ATOM 119 HG LEU A 7 4.968 1.181 -2.779 1.00 0.18 H ATOM 120 HD11 LEU A 7 6.654 -0.745 -3.161 1.00 1.23 H ATOM 121 HD12 LEU A 7 7.688 0.486 -3.919 1.00 1.11 H ATOM 122 HD13 LEU A 7 7.195 0.660 -2.225 1.00 1.40 H ATOM 123 HD21 LEU A 7 5.203 3.124 -4.319 1.00 1.65 H ATOM 124 HD22 LEU A 7 6.632 2.988 -3.297 1.00 1.77 H ATOM 125 HD23 LEU A 7 6.695 2.435 -4.983 1.00 1.42 H ATOM 126 N ARG A 8 1.672 -0.397 -5.173 1.00 0.14 N ATOM 127 CA ARG A 8 0.773 -1.475 -5.537 1.00 0.24 C ATOM 128 C ARG A 8 -0.429 -1.462 -4.601 1.00 0.19 C ATOM 129 O ARG A 8 -0.280 -1.183 -3.411 1.00 0.14 O ATOM 130 CB ARG A 8 1.510 -2.816 -5.421 1.00 0.34 C ATOM 131 CG ARG A 8 1.993 -3.076 -3.984 1.00 0.30 C ATOM 132 CD ARG A 8 3.400 -3.679 -3.959 1.00 0.47 C ATOM 133 NE ARG A 8 3.391 -5.131 -4.203 1.00 0.55 N ATOM 134 CZ ARG A 8 4.443 -5.868 -4.584 1.00 0.95 C ATOM 135 NH1 ARG A 8 5.593 -5.284 -4.923 1.00 1.97 N ATOM 136 NH2 ARG A 8 4.347 -7.199 -4.618 1.00 0.95 N ATOM 137 H ARG A 8 1.473 0.026 -4.283 1.00 0.08 H ATOM 138 HA ARG A 8 0.461 -1.300 -6.563 1.00 0.32 H ATOM 139 HB2 ARG A 8 0.845 -3.622 -5.728 1.00 0.40 H ATOM 140 HB3 ARG A 8 2.357 -2.799 -6.104 1.00 0.45 H ATOM 141 HG2 ARG A 8 2.044 -2.141 -3.432 1.00 0.23 H ATOM 142 HG3 ARG A 8 1.274 -3.718 -3.469 1.00 0.33 H ATOM 143 HD2 ARG A 8 4.010 -3.159 -4.698 1.00 0.57 H ATOM 144 HD3 ARG A 8 3.831 -3.494 -2.975 1.00 0.55 H ATOM 145 HE ARG A 8 2.521 -5.596 -3.982 1.00 1.22 H ATOM 146 HH11 ARG A 8 5.669 -4.279 -4.920 1.00 2.10 H ATOM 147 HH12 ARG A 8 6.400 -5.814 -5.219 1.00 2.71 H ATOM 148 HH21 ARG A 8 3.494 -7.669 -4.353 1.00 0.88 H ATOM 149 HH22 ARG A 8 5.127 -7.779 -4.891 1.00 1.53 H ATOM 150 N PRO A 9 -1.618 -1.805 -5.087 1.00 0.28 N ATOM 151 CA PRO A 9 -2.842 -1.794 -4.305 1.00 0.31 C ATOM 152 C PRO A 9 -2.922 -3.036 -3.412 1.00 0.24 C ATOM 153 O PRO A 9 -3.793 -3.877 -3.611 1.00 0.29 O ATOM 154 CB PRO A 9 -3.937 -1.774 -5.371 1.00 0.44 C ATOM 155 CG PRO A 9 -3.329 -2.632 -6.479 1.00 0.45 C ATOM 156 CD PRO A 9 -1.876 -2.169 -6.464 1.00 0.40 C ATOM 157 HA PRO A 9 -2.912 -0.897 -3.691 1.00 0.34 H ATOM 158 HB2 PRO A 9 -4.885 -2.170 -5.012 1.00 0.48 H ATOM 159 HB3 PRO A 9 -4.055 -0.753 -5.731 1.00 0.52 H ATOM 160 HG2 PRO A 9 -3.374 -3.683 -6.191 1.00 0.41 H ATOM 161 HG3 PRO A 9 -3.805 -2.461 -7.443 1.00 0.56 H ATOM 162 HD2 PRO A 9 -1.213 -2.969 -6.793 1.00 0.41 H ATOM 163 HD3 PRO A 9 -1.752 -1.286 -7.092 1.00 0.46 H TER 164 PRO A 9 HETATM 165 N NEH A 10 -2.009 -3.173 -2.444 1.00 0.29 N HETATM 166 CA NEH A 10 -2.008 -4.291 -1.510 1.00 0.33 C HETATM 167 CB NEH A 10 -1.630 -5.604 -2.208 1.00 1.32 C HETATM 168 H NEH A 10 -1.372 -2.394 -2.261 1.00 0.29 H HETATM 169 HA2 NEH A 10 -1.277 -4.091 -0.730 1.00 0.88 H HETATM 170 HA3 NEH A 10 -2.993 -4.388 -1.052 1.00 1.09 H HETATM 171 HB1 NEH A 10 -0.636 -5.526 -2.646 1.00 2.16 H HETATM 172 HB2 NEH A 10 -1.650 -6.418 -1.483 1.00 1.70 H HETATM 173 HB3 NEH A 10 -2.353 -5.838 -2.990 1.00 2.17 H