HETATM 1 N PCA A 1 -5.304 1.483 9.139 1.00 0.80 N HETATM 2 CA PCA A 1 -4.198 1.422 8.200 1.00 0.35 C HETATM 3 CB PCA A 1 -3.029 2.156 8.887 1.00 1.01 C HETATM 4 CG PCA A 1 -3.498 2.370 10.332 1.00 1.30 C HETATM 5 CD PCA A 1 -4.973 2.024 10.303 1.00 1.10 C HETATM 6 OE PCA A 1 -5.737 2.212 11.245 1.00 1.75 O HETATM 7 C PCA A 1 -3.864 -0.027 7.848 1.00 0.28 C HETATM 8 O PCA A 1 -4.366 -0.956 8.473 1.00 0.51 O HETATM 9 H PCA A 1 -6.204 1.068 8.954 1.00 1.42 H HETATM 10 HA PCA A 1 -4.472 1.953 7.288 1.00 0.95 H HETATM 11 HB2 PCA A 1 -2.880 3.124 8.406 1.00 1.30 H HETATM 12 HB3 PCA A 1 -2.106 1.575 8.858 1.00 1.47 H HETATM 13 HG2 PCA A 1 -3.346 3.405 10.642 1.00 1.52 H HETATM 14 HG3 PCA A 1 -2.979 1.687 11.003 1.00 1.89 H ATOM 15 N HIS A 2 -3.034 -0.218 6.824 1.00 0.18 N ATOM 16 CA HIS A 2 -2.608 -1.527 6.370 1.00 0.15 C ATOM 17 C HIS A 2 -1.139 -1.413 5.974 1.00 0.13 C ATOM 18 O HIS A 2 -0.268 -1.638 6.808 1.00 0.15 O ATOM 19 CB HIS A 2 -3.546 -2.049 5.261 1.00 0.20 C ATOM 20 CG HIS A 2 -4.044 -1.012 4.278 1.00 0.21 C ATOM 21 ND1 HIS A 2 -5.010 -0.065 4.541 1.00 0.26 N ATOM 22 CD2 HIS A 2 -3.670 -0.865 2.966 1.00 0.23 C ATOM 23 CE1 HIS A 2 -5.190 0.655 3.420 1.00 0.29 C ATOM 24 NE2 HIS A 2 -4.397 0.202 2.437 1.00 0.26 N ATOM 25 H HIS A 2 -2.649 0.561 6.311 1.00 0.35 H ATOM 26 HA HIS A 2 -2.655 -2.231 7.203 1.00 0.16 H ATOM 27 HB2 HIS A 2 -3.061 -2.865 4.727 1.00 0.22 H ATOM 28 HB3 HIS A 2 -4.425 -2.473 5.749 1.00 0.23 H ATOM 29 HD1 HIS A 2 -5.518 0.043 5.406 1.00 0.28 H ATOM 30 HD2 HIS A 2 -2.946 -1.458 2.428 1.00 0.24 H ATOM 31 HE1 HIS A 2 -5.886 1.476 3.315 1.00 0.34 H ATOM 32 N TRP A 3 -0.856 -1.037 4.727 1.00 0.12 N ATOM 33 CA TRP A 3 0.483 -0.855 4.180 1.00 0.14 C ATOM 34 C TRP A 3 0.301 -0.276 2.772 1.00 0.17 C ATOM 35 O TRP A 3 -0.688 0.411 2.538 1.00 0.32 O ATOM 36 CB TRP A 3 1.265 -2.179 4.187 1.00 0.18 C ATOM 37 CG TRP A 3 0.861 -3.185 3.161 1.00 0.21 C ATOM 38 CD1 TRP A 3 -0.397 -3.608 2.921 1.00 0.21 C ATOM 39 CD2 TRP A 3 1.706 -3.847 2.179 1.00 0.27 C ATOM 40 NE1 TRP A 3 -0.383 -4.510 1.875 1.00 0.27 N ATOM 41 CE2 TRP A 3 0.891 -4.689 1.374 1.00 0.31 C ATOM 42 CE3 TRP A 3 3.083 -3.797 1.888 1.00 0.32 C ATOM 43 CZ2 TRP A 3 1.422 -5.467 0.334 1.00 0.38 C ATOM 44 CZ3 TRP A 3 3.631 -4.578 0.854 1.00 0.40 C ATOM 45 CH2 TRP A 3 2.805 -5.416 0.083 1.00 0.42 C ATOM 46 H TRP A 3 -1.601 -0.726 4.121 1.00 0.15 H ATOM 47 HA TRP A 3 1.032 -0.138 4.788 1.00 0.17 H ATOM 48 HB2 TRP A 3 2.317 -1.940 4.032 1.00 0.22 H ATOM 49 HB3 TRP A 3 1.210 -2.651 5.167 1.00 0.19 H ATOM 50 HD1 TRP A 3 -1.261 -3.276 3.480 1.00 0.19 H ATOM 51 HE1 TRP A 3 -1.212 -4.972 1.529 1.00 0.30 H ATOM 52 HE3 TRP A 3 3.717 -3.161 2.491 1.00 0.32 H ATOM 53 HZ2 TRP A 3 0.780 -6.105 -0.253 1.00 0.41 H ATOM 54 HZ3 TRP A 3 4.695 -4.546 0.663 1.00 0.45 H ATOM 55 HH2 TRP A 3 3.237 -6.029 -0.693 1.00 0.49 H ATOM 56 N SER A 4 1.202 -0.599 1.840 1.00 0.13 N ATOM 57 CA SER A 4 1.239 -0.185 0.442 1.00 0.11 C ATOM 58 C SER A 4 1.914 1.170 0.316 1.00 0.11 C ATOM 59 O SER A 4 1.333 2.208 0.606 1.00 0.16 O ATOM 60 CB SER A 4 -0.134 -0.169 -0.239 1.00 0.16 C ATOM 61 OG SER A 4 -0.695 -1.465 -0.249 1.00 0.37 O ATOM 62 H SER A 4 1.935 -1.229 2.126 1.00 0.18 H ATOM 63 HA SER A 4 1.856 -0.905 -0.094 1.00 0.11 H ATOM 64 HB2 SER A 4 -0.811 0.535 0.242 1.00 0.25 H ATOM 65 HB3 SER A 4 0.012 0.158 -1.268 1.00 0.15 H ATOM 66 HG SER A 4 -0.744 -1.762 0.667 1.00 0.77 H ATOM 67 N TYR A 5 3.137 1.165 -0.211 1.00 0.11 N ATOM 68 CA TYR A 5 3.955 2.358 -0.401 1.00 0.16 C ATOM 69 C TYR A 5 3.525 3.190 -1.621 1.00 0.14 C ATOM 70 O TYR A 5 4.313 3.952 -2.172 1.00 0.17 O ATOM 71 CB TYR A 5 5.416 1.908 -0.511 1.00 0.20 C ATOM 72 CG TYR A 5 6.333 2.448 0.558 1.00 0.28 C ATOM 73 CD1 TYR A 5 7.008 1.575 1.431 1.00 1.78 C ATOM 74 CD2 TYR A 5 6.562 3.833 0.625 1.00 1.56 C ATOM 75 CE1 TYR A 5 7.921 2.089 2.367 1.00 1.84 C ATOM 76 CE2 TYR A 5 7.471 4.353 1.559 1.00 1.55 C ATOM 77 CZ TYR A 5 8.162 3.480 2.432 1.00 0.51 C ATOM 78 OH TYR A 5 9.069 3.963 3.327 1.00 0.64 O ATOM 79 H TYR A 5 3.551 0.275 -0.443 1.00 0.11 H ATOM 80 HA TYR A 5 3.857 2.992 0.471 1.00 0.20 H ATOM 81 HB2 TYR A 5 5.467 0.821 -0.524 1.00 0.22 H ATOM 82 HB3 TYR A 5 5.819 2.248 -1.453 1.00 0.19 H ATOM 83 HD1 TYR A 5 6.848 0.508 1.375 1.00 3.01 H ATOM 84 HD2 TYR A 5 6.052 4.495 -0.062 1.00 2.81 H ATOM 85 HE1 TYR A 5 8.453 1.422 3.027 1.00 3.10 H ATOM 86 HE2 TYR A 5 7.636 5.419 1.582 1.00 2.79 H ATOM 87 HH TYR A 5 9.216 4.907 3.254 1.00 1.26 H HETATM 88 N DLE A 6 2.287 3.019 -2.084 1.00 0.12 N HETATM 89 CA DLE A 6 1.799 3.610 -3.328 1.00 0.12 C HETATM 90 CB DLE A 6 0.264 3.684 -3.330 1.00 0.13 C HETATM 91 CG DLE A 6 -0.418 2.329 -3.599 1.00 0.27 C HETATM 92 CD1 DLE A 6 -1.041 2.288 -4.998 1.00 0.44 C HETATM 93 CD2 DLE A 6 -1.520 2.088 -2.565 1.00 0.43 C HETATM 94 C DLE A 6 2.321 2.865 -4.553 1.00 0.10 C HETATM 95 O DLE A 6 2.127 3.304 -5.681 1.00 0.16 O HETATM 96 H DLE A 6 1.683 2.441 -1.532 1.00 0.11 H HETATM 97 HA DLE A 6 2.189 4.619 -3.384 1.00 0.15 H HETATM 98 HB2 DLE A 6 -0.047 4.395 -4.096 1.00 0.27 H HETATM 99 HB3 DLE A 6 -0.063 4.086 -2.370 1.00 0.26 H HETATM 100 HG DLE A 6 0.310 1.519 -3.522 1.00 0.32 H HETATM 101 HD11 DLE A 6 -1.873 2.991 -5.056 1.00 1.47 H HETATM 102 HD12 DLE A 6 -1.408 1.288 -5.215 1.00 1.61 H HETATM 103 HD13 DLE A 6 -0.301 2.563 -5.750 1.00 1.42 H HETATM 104 HD21 DLE A 6 -1.110 2.164 -1.558 1.00 1.71 H HETATM 105 HD22 DLE A 6 -1.943 1.094 -2.701 1.00 1.37 H HETATM 106 HD23 DLE A 6 -2.308 2.833 -2.678 1.00 1.54 H ATOM 107 N LEU A 7 2.966 1.719 -4.335 1.00 0.08 N ATOM 108 CA LEU A 7 3.559 0.926 -5.397 1.00 0.11 C ATOM 109 C LEU A 7 2.523 -0.035 -5.975 1.00 0.14 C ATOM 110 O LEU A 7 2.660 -0.494 -7.105 1.00 0.22 O ATOM 111 CB LEU A 7 4.767 0.136 -4.868 1.00 0.16 C ATOM 112 CG LEU A 7 5.630 0.913 -3.862 1.00 0.17 C ATOM 113 CD1 LEU A 7 6.817 0.054 -3.423 1.00 0.22 C ATOM 114 CD2 LEU A 7 6.149 2.235 -4.436 1.00 0.25 C ATOM 115 H LEU A 7 3.111 1.435 -3.381 1.00 0.08 H ATOM 116 HA LEU A 7 3.894 1.597 -6.188 1.00 0.13 H ATOM 117 HB2 LEU A 7 4.413 -0.771 -4.376 1.00 0.16 H ATOM 118 HB3 LEU A 7 5.382 -0.161 -5.719 1.00 0.23 H ATOM 119 HG LEU A 7 5.020 1.113 -2.979 1.00 0.14 H ATOM 120 HD11 LEU A 7 7.371 -0.293 -4.296 1.00 1.21 H ATOM 121 HD12 LEU A 7 7.485 0.641 -2.792 1.00 1.07 H ATOM 122 HD13 LEU A 7 6.462 -0.805 -2.855 1.00 1.28 H ATOM 123 HD21 LEU A 7 5.320 2.886 -4.712 1.00 1.57 H ATOM 124 HD22 LEU A 7 6.741 2.757 -3.683 1.00 1.50 H ATOM 125 HD23 LEU A 7 6.767 2.050 -5.314 1.00 1.76 H ATOM 126 N ARG A 8 1.527 -0.415 -5.167 1.00 0.10 N ATOM 127 CA ARG A 8 0.538 -1.418 -5.502 1.00 0.17 C ATOM 128 C ARG A 8 -0.593 -1.366 -4.482 1.00 0.12 C ATOM 129 O ARG A 8 -0.354 -1.113 -3.302 1.00 0.11 O ATOM 130 CB ARG A 8 1.191 -2.803 -5.489 1.00 0.25 C ATOM 131 CG ARG A 8 1.789 -3.155 -4.116 1.00 0.26 C ATOM 132 CD ARG A 8 3.192 -3.769 -4.223 1.00 0.39 C ATOM 133 NE ARG A 8 3.176 -5.240 -4.154 1.00 0.53 N ATOM 134 CZ ARG A 8 2.881 -6.099 -5.141 1.00 1.33 C ATOM 135 NH1 ARG A 8 2.584 -5.656 -6.362 1.00 3.14 N ATOM 136 NH2 ARG A 8 2.883 -7.410 -4.898 1.00 1.11 N ATOM 137 H ARG A 8 1.406 0.003 -4.260 1.00 0.06 H ATOM 138 HA ARG A 8 0.166 -1.187 -6.497 1.00 0.25 H ATOM 139 HB2 ARG A 8 0.449 -3.555 -5.758 1.00 0.29 H ATOM 140 HB3 ARG A 8 1.968 -2.803 -6.249 1.00 0.34 H ATOM 141 HG2 ARG A 8 1.887 -2.255 -3.511 1.00 0.20 H ATOM 142 HG3 ARG A 8 1.109 -3.823 -3.582 1.00 0.30 H ATOM 143 HD2 ARG A 8 3.696 -3.418 -5.124 1.00 0.53 H ATOM 144 HD3 ARG A 8 3.773 -3.397 -3.376 1.00 0.51 H ATOM 145 HE ARG A 8 3.421 -5.612 -3.249 1.00 1.81 H ATOM 146 HH11 ARG A 8 2.624 -4.670 -6.560 1.00 3.39 H ATOM 147 HH12 ARG A 8 2.343 -6.279 -7.117 1.00 4.32 H ATOM 148 HH21 ARG A 8 3.111 -7.773 -3.984 1.00 0.99 H ATOM 149 HH22 ARG A 8 2.661 -8.082 -5.617 1.00 2.12 H ATOM 150 N PRO A 9 -1.823 -1.646 -4.899 1.00 0.19 N ATOM 151 CA PRO A 9 -2.970 -1.705 -4.017 1.00 0.22 C ATOM 152 C PRO A 9 -2.906 -3.002 -3.205 1.00 0.19 C ATOM 153 O PRO A 9 -3.577 -3.977 -3.531 1.00 0.34 O ATOM 154 CB PRO A 9 -4.164 -1.665 -4.966 1.00 0.32 C ATOM 155 CG PRO A 9 -3.632 -2.441 -6.168 1.00 0.31 C ATOM 156 CD PRO A 9 -2.191 -1.953 -6.263 1.00 0.28 C ATOM 157 HA PRO A 9 -3.000 -0.846 -3.347 1.00 0.27 H ATOM 158 HB2 PRO A 9 -5.054 -2.122 -4.536 1.00 0.36 H ATOM 159 HB3 PRO A 9 -4.354 -0.632 -5.256 1.00 0.40 H ATOM 160 HG2 PRO A 9 -3.622 -3.503 -5.928 1.00 0.27 H ATOM 161 HG3 PRO A 9 -4.197 -2.237 -7.076 1.00 0.40 H ATOM 162 HD2 PRO A 9 -1.551 -2.731 -6.679 1.00 0.30 H ATOM 163 HD3 PRO A 9 -2.130 -1.045 -6.861 1.00 0.35 H TER 164 PRO A 9 HETATM 165 N NEH A 10 -2.091 -3.017 -2.152 1.00 0.26 N HETATM 166 CA NEH A 10 -1.890 -4.184 -1.303 1.00 0.31 C HETATM 167 CB NEH A 10 -3.162 -4.493 -0.505 1.00 2.24 C HETATM 168 H NEH A 10 -1.511 -2.191 -1.988 1.00 0.28 H HETATM 169 HA2 NEH A 10 -1.615 -5.047 -1.913 1.00 1.56 H HETATM 170 HA3 NEH A 10 -1.076 -3.976 -0.615 1.00 1.75 H HETATM 171 HB1 NEH A 10 -3.864 -5.039 -1.137 1.00 2.94 H HETATM 172 HB2 NEH A 10 -2.924 -5.114 0.356 1.00 2.73 H HETATM 173 HB3 NEH A 10 -3.633 -3.569 -0.167 1.00 3.48 H