HETATM 1 N PCA A 1 -5.045 1.502 9.377 1.00 0.96 N HETATM 2 CA PCA A 1 -4.050 1.443 8.323 1.00 0.22 C HETATM 3 CB PCA A 1 -2.861 2.286 8.824 1.00 1.13 C HETATM 4 CG PCA A 1 -3.174 2.554 10.301 1.00 1.55 C HETATM 5 CD PCA A 1 -4.627 2.154 10.453 1.00 1.34 C HETATM 6 OE PCA A 1 -5.303 2.396 11.448 1.00 2.05 O HETATM 7 C PCA A 1 -3.666 -0.004 8.017 1.00 0.21 C HETATM 8 O PCA A 1 -3.866 -0.894 8.837 1.00 0.60 O HETATM 9 H PCA A 1 -5.931 1.023 9.324 1.00 1.64 H HETATM 10 HA PCA A 1 -4.458 1.899 7.421 1.00 0.91 H HETATM 11 HB2 PCA A 1 -2.837 3.231 8.281 1.00 1.42 H HETATM 12 HB3 PCA A 1 -1.910 1.763 8.711 1.00 1.68 H HETATM 13 HG2 PCA A 1 -3.026 3.606 10.549 1.00 1.79 H HETATM 14 HG3 PCA A 1 -2.557 1.918 10.939 1.00 2.23 H ATOM 15 N HIS A 2 -3.120 -0.229 6.821 1.00 0.22 N ATOM 16 CA HIS A 2 -2.689 -1.532 6.359 1.00 0.18 C ATOM 17 C HIS A 2 -1.220 -1.403 5.976 1.00 0.15 C ATOM 18 O HIS A 2 -0.351 -1.616 6.815 1.00 0.18 O ATOM 19 CB HIS A 2 -3.619 -2.047 5.241 1.00 0.21 C ATOM 20 CG HIS A 2 -4.137 -0.996 4.281 1.00 0.23 C ATOM 21 ND1 HIS A 2 -5.133 -0.085 4.561 1.00 0.30 N ATOM 22 CD2 HIS A 2 -3.749 -0.794 2.981 1.00 0.25 C ATOM 23 CE1 HIS A 2 -5.321 0.664 3.461 1.00 0.33 C ATOM 24 NE2 HIS A 2 -4.500 0.268 2.476 1.00 0.29 N ATOM 25 H HIS A 2 -2.973 0.529 6.173 1.00 0.53 H ATOM 26 HA HIS A 2 -2.732 -2.252 7.177 1.00 0.19 H ATOM 27 HB2 HIS A 2 -3.123 -2.841 4.686 1.00 0.24 H ATOM 28 HB3 HIS A 2 -4.490 -2.497 5.719 1.00 0.25 H ATOM 29 HD1 HIS A 2 -5.657 -0.017 5.422 1.00 0.36 H ATOM 30 HD2 HIS A 2 -2.997 -1.344 2.435 1.00 0.29 H ATOM 31 HE1 HIS A 2 -6.041 1.466 3.371 1.00 0.41 H ATOM 32 N TRP A 3 -0.935 -1.026 4.732 1.00 0.13 N ATOM 33 CA TRP A 3 0.404 -0.833 4.195 1.00 0.14 C ATOM 34 C TRP A 3 0.224 -0.270 2.780 1.00 0.15 C ATOM 35 O TRP A 3 -0.794 0.361 2.515 1.00 0.24 O ATOM 36 CB TRP A 3 1.193 -2.153 4.210 1.00 0.18 C ATOM 37 CG TRP A 3 0.814 -3.155 3.169 1.00 0.20 C ATOM 38 CD1 TRP A 3 -0.436 -3.583 2.898 1.00 0.20 C ATOM 39 CD2 TRP A 3 1.684 -3.813 2.208 1.00 0.28 C ATOM 40 NE1 TRP A 3 -0.396 -4.486 1.854 1.00 0.27 N ATOM 41 CE2 TRP A 3 0.893 -4.671 1.392 1.00 0.31 C ATOM 42 CE3 TRP A 3 3.067 -3.757 1.949 1.00 0.34 C ATOM 43 CZ2 TRP A 3 1.461 -5.468 0.387 1.00 0.40 C ATOM 44 CZ3 TRP A 3 3.646 -4.545 0.937 1.00 0.42 C ATOM 45 CH2 TRP A 3 2.847 -5.403 0.162 1.00 0.45 C ATOM 46 H TRP A 3 -1.680 -0.725 4.121 1.00 0.14 H ATOM 47 HA TRP A 3 0.940 -0.109 4.807 1.00 0.19 H ATOM 48 HB2 TRP A 3 2.247 -1.908 4.076 1.00 0.23 H ATOM 49 HB3 TRP A 3 1.123 -2.632 5.184 1.00 0.19 H ATOM 50 HD1 TRP A 3 -1.315 -3.254 3.436 1.00 0.18 H ATOM 51 HE1 TRP A 3 -1.217 -4.944 1.482 1.00 0.31 H ATOM 52 HE3 TRP A 3 3.682 -3.110 2.560 1.00 0.35 H ATOM 53 HZ2 TRP A 3 0.844 -6.134 -0.196 1.00 0.44 H ATOM 54 HZ3 TRP A 3 4.713 -4.504 0.769 1.00 0.48 H ATOM 55 HH2 TRP A 3 3.302 -6.023 -0.597 1.00 0.53 H ATOM 56 N SER A 4 1.160 -0.559 1.872 1.00 0.13 N ATOM 57 CA SER A 4 1.202 -0.171 0.468 1.00 0.09 C ATOM 58 C SER A 4 1.849 1.195 0.335 1.00 0.10 C ATOM 59 O SER A 4 1.247 2.223 0.622 1.00 0.16 O ATOM 60 CB SER A 4 -0.164 -0.182 -0.229 1.00 0.15 C ATOM 61 OG SER A 4 -0.737 -1.471 -0.172 1.00 0.33 O ATOM 62 H SER A 4 1.903 -1.163 2.183 1.00 0.18 H ATOM 63 HA SER A 4 1.840 -0.885 -0.052 1.00 0.12 H ATOM 64 HB2 SER A 4 -0.838 0.555 0.206 1.00 0.24 H ATOM 65 HB3 SER A 4 -0.009 0.083 -1.272 1.00 0.13 H ATOM 66 HG SER A 4 -0.881 -1.669 0.760 1.00 0.63 H ATOM 67 N TYR A 5 3.073 1.213 -0.184 1.00 0.10 N ATOM 68 CA TYR A 5 3.855 2.430 -0.362 1.00 0.13 C ATOM 69 C TYR A 5 3.427 3.241 -1.595 1.00 0.12 C ATOM 70 O TYR A 5 4.199 4.036 -2.122 1.00 0.15 O ATOM 71 CB TYR A 5 5.331 2.030 -0.428 1.00 0.16 C ATOM 72 CG TYR A 5 6.169 2.628 0.670 1.00 0.21 C ATOM 73 CD1 TYR A 5 6.613 1.839 1.745 1.00 1.66 C ATOM 74 CD2 TYR A 5 6.501 3.991 0.604 1.00 1.66 C ATOM 75 CE1 TYR A 5 7.388 2.419 2.763 1.00 1.69 C ATOM 76 CE2 TYR A 5 7.271 4.579 1.618 1.00 1.67 C ATOM 77 CZ TYR A 5 7.716 3.793 2.709 1.00 0.39 C ATOM 78 OH TYR A 5 8.452 4.346 3.713 1.00 0.52 O ATOM 79 H TYR A 5 3.516 0.337 -0.413 1.00 0.11 H ATOM 80 HA TYR A 5 3.714 3.065 0.505 1.00 0.16 H ATOM 81 HB2 TYR A 5 5.423 0.945 -0.411 1.00 0.16 H ATOM 82 HB3 TYR A 5 5.747 2.367 -1.365 1.00 0.17 H ATOM 83 HD1 TYR A 5 6.364 0.790 1.796 1.00 2.91 H ATOM 84 HD2 TYR A 5 6.158 4.589 -0.232 1.00 2.91 H ATOM 85 HE1 TYR A 5 7.729 1.818 3.590 1.00 2.94 H ATOM 86 HE2 TYR A 5 7.509 5.627 1.542 1.00 2.93 H ATOM 87 HH TYR A 5 8.551 5.297 3.638 1.00 1.35 H HETATM 88 N DLE A 6 2.211 3.014 -2.093 1.00 0.10 N HETATM 89 CA DLE A 6 1.736 3.592 -3.346 1.00 0.10 C HETATM 90 CB DLE A 6 0.197 3.657 -3.371 1.00 0.12 C HETATM 91 CG DLE A 6 -0.502 2.406 -3.936 1.00 0.34 C HETATM 92 CD1 DLE A 6 -1.014 2.646 -5.361 1.00 0.53 C HETATM 93 CD2 DLE A 6 -1.706 2.036 -3.070 1.00 0.49 C HETATM 94 C DLE A 6 2.324 2.865 -4.553 1.00 0.10 C HETATM 95 O DLE A 6 2.200 3.325 -5.681 1.00 0.19 O HETATM 96 H DLE A 6 1.616 2.409 -1.559 1.00 0.10 H HETATM 97 HA DLE A 6 2.108 4.607 -3.390 1.00 0.13 H HETATM 98 HB2 DLE A 6 -0.096 4.517 -3.974 1.00 0.26 H HETATM 99 HB3 DLE A 6 -0.155 3.847 -2.357 1.00 0.24 H HETATM 100 HG DLE A 6 0.188 1.563 -3.935 1.00 0.39 H HETATM 101 HD11 DLE A 6 -0.196 2.933 -6.019 1.00 1.59 H HETATM 102 HD12 DLE A 6 -1.757 3.444 -5.360 1.00 1.56 H HETATM 103 HD13 DLE A 6 -1.470 1.737 -5.753 1.00 1.30 H HETATM 104 HD21 DLE A 6 -1.370 1.715 -2.086 1.00 1.43 H HETATM 105 HD22 DLE A 6 -2.258 1.225 -3.538 1.00 1.80 H HETATM 106 HD23 DLE A 6 -2.366 2.897 -2.958 1.00 1.61 H ATOM 107 N LEU A 7 2.964 1.718 -4.317 1.00 0.07 N ATOM 108 CA LEU A 7 3.620 0.946 -5.360 1.00 0.10 C ATOM 109 C LEU A 7 2.657 -0.088 -5.946 1.00 0.16 C ATOM 110 O LEU A 7 2.887 -0.605 -7.033 1.00 0.26 O ATOM 111 CB LEU A 7 4.874 0.240 -4.813 1.00 0.14 C ATOM 112 CG LEU A 7 5.649 1.045 -3.757 1.00 0.14 C ATOM 113 CD1 LEU A 7 6.871 0.253 -3.295 1.00 0.20 C ATOM 114 CD2 LEU A 7 6.106 2.411 -4.275 1.00 0.17 C ATOM 115 H LEU A 7 3.086 1.434 -3.360 1.00 0.07 H ATOM 116 HA LEU A 7 3.925 1.627 -6.155 1.00 0.11 H ATOM 117 HB2 LEU A 7 4.576 -0.706 -4.359 1.00 0.16 H ATOM 118 HB3 LEU A 7 5.535 0.016 -5.651 1.00 0.19 H ATOM 119 HG LEU A 7 4.996 1.181 -2.892 1.00 0.13 H ATOM 120 HD11 LEU A 7 6.562 -0.713 -2.895 1.00 1.38 H ATOM 121 HD12 LEU A 7 7.553 0.096 -4.132 1.00 1.25 H ATOM 122 HD13 LEU A 7 7.394 0.804 -2.512 1.00 1.45 H ATOM 123 HD21 LEU A 7 6.658 2.937 -3.494 1.00 1.42 H ATOM 124 HD22 LEU A 7 6.748 2.290 -5.146 1.00 1.35 H ATOM 125 HD23 LEU A 7 5.249 3.027 -4.545 1.00 1.38 H ATOM 126 N ARG A 8 1.619 -0.458 -5.187 1.00 0.12 N ATOM 127 CA ARG A 8 0.682 -1.516 -5.515 1.00 0.19 C ATOM 128 C ARG A 8 -0.510 -1.428 -4.566 1.00 0.12 C ATOM 129 O ARG A 8 -0.342 -1.108 -3.388 1.00 0.10 O ATOM 130 CB ARG A 8 1.365 -2.879 -5.359 1.00 0.28 C ATOM 131 CG ARG A 8 1.871 -3.100 -3.924 1.00 0.29 C ATOM 132 CD ARG A 8 3.247 -3.767 -3.920 1.00 0.45 C ATOM 133 NE ARG A 8 3.154 -5.214 -4.180 1.00 0.52 N ATOM 134 CZ ARG A 8 4.109 -5.991 -4.710 1.00 0.77 C ATOM 135 NH1 ARG A 8 5.244 -5.458 -5.166 1.00 1.85 N ATOM 136 NH2 ARG A 8 3.929 -7.311 -4.778 1.00 0.73 N ATOM 137 H ARG A 8 1.427 0.009 -4.317 1.00 0.07 H ATOM 138 HA ARG A 8 0.369 -1.375 -6.547 1.00 0.30 H ATOM 139 HB2 ARG A 8 0.660 -3.671 -5.615 1.00 0.32 H ATOM 140 HB3 ARG A 8 2.195 -2.931 -6.062 1.00 0.40 H ATOM 141 HG2 ARG A 8 1.978 -2.149 -3.407 1.00 0.21 H ATOM 142 HG3 ARG A 8 1.143 -3.693 -3.370 1.00 0.34 H ATOM 143 HD2 ARG A 8 3.870 -3.264 -4.661 1.00 0.54 H ATOM 144 HD3 ARG A 8 3.697 -3.610 -2.938 1.00 0.57 H ATOM 145 HE ARG A 8 2.296 -5.645 -3.865 1.00 1.31 H ATOM 146 HH11 ARG A 8 5.383 -4.461 -5.132 1.00 2.00 H ATOM 147 HH12 ARG A 8 5.976 -6.020 -5.574 1.00 2.59 H ATOM 148 HH21 ARG A 8 3.084 -7.743 -4.431 1.00 0.79 H ATOM 149 HH22 ARG A 8 4.633 -7.923 -5.164 1.00 1.32 H ATOM 150 N PRO A 9 -1.712 -1.756 -5.030 1.00 0.20 N ATOM 151 CA PRO A 9 -2.917 -1.737 -4.222 1.00 0.23 C ATOM 152 C PRO A 9 -2.963 -2.973 -3.319 1.00 0.19 C ATOM 153 O PRO A 9 -3.762 -3.877 -3.552 1.00 0.27 O ATOM 154 CB PRO A 9 -4.037 -1.729 -5.261 1.00 0.34 C ATOM 155 CG PRO A 9 -3.452 -2.604 -6.368 1.00 0.34 C ATOM 156 CD PRO A 9 -1.995 -2.157 -6.392 1.00 0.31 C ATOM 157 HA PRO A 9 -2.975 -0.839 -3.610 1.00 0.28 H ATOM 158 HB2 PRO A 9 -4.975 -2.122 -4.872 1.00 0.37 H ATOM 159 HB3 PRO A 9 -4.164 -0.713 -5.635 1.00 0.43 H ATOM 160 HG2 PRO A 9 -3.494 -3.649 -6.060 1.00 0.30 H ATOM 161 HG3 PRO A 9 -3.945 -2.446 -7.326 1.00 0.45 H ATOM 162 HD2 PRO A 9 -1.348 -2.976 -6.706 1.00 0.33 H ATOM 163 HD3 PRO A 9 -1.870 -1.295 -7.050 1.00 0.39 H TER 164 PRO A 9 HETATM 165 N NEH A 10 -2.098 -3.035 -2.303 1.00 0.22 N HETATM 166 CA NEH A 10 -2.083 -4.143 -1.355 1.00 0.33 C HETATM 167 CB NEH A 10 -1.282 -5.318 -1.918 1.00 1.32 C HETATM 168 H NEH A 10 -1.470 -2.243 -2.147 1.00 0.22 H HETATM 169 HA2 NEH A 10 -1.630 -3.815 -0.423 1.00 1.13 H HETATM 170 HA3 NEH A 10 -3.104 -4.465 -1.144 1.00 1.18 H HETATM 171 HB1 NEH A 10 -0.245 -5.024 -2.067 1.00 2.34 H HETATM 172 HB2 NEH A 10 -1.326 -6.153 -1.216 1.00 1.70 H HETATM 173 HB3 NEH A 10 -1.711 -5.639 -2.867 1.00 2.12 H