HETATM 1 N PCA A 1 -5.090 1.836 9.182 1.00 0.82 N HETATM 2 CA PCA A 1 -3.954 1.652 8.297 1.00 0.30 C HETATM 3 CB PCA A 1 -2.737 2.202 9.063 1.00 1.05 C HETATM 4 CG PCA A 1 -3.245 2.417 10.494 1.00 1.45 C HETATM 5 CD PCA A 1 -4.750 2.292 10.379 1.00 1.25 C HETATM 6 OE PCA A 1 -5.529 2.564 11.287 1.00 1.86 O HETATM 7 C PCA A 1 -3.798 0.183 7.907 1.00 0.29 C HETATM 8 O PCA A 1 -4.489 -0.686 8.430 1.00 0.62 O HETATM 9 H PCA A 1 -6.029 1.562 8.935 1.00 1.30 H HETATM 10 HA PCA A 1 -4.107 2.240 7.391 1.00 0.70 H HETATM 11 HB2 PCA A 1 -2.445 3.160 8.633 1.00 1.25 H HETATM 12 HB3 PCA A 1 -1.893 1.511 9.046 1.00 1.45 H HETATM 13 HG2 PCA A 1 -2.960 3.401 10.866 1.00 1.73 H HETATM 14 HG3 PCA A 1 -2.866 1.633 11.151 1.00 1.95 H ATOM 15 N HIS A 2 -2.912 -0.084 6.949 1.00 0.22 N ATOM 16 CA HIS A 2 -2.631 -1.422 6.467 1.00 0.18 C ATOM 17 C HIS A 2 -1.166 -1.450 6.038 1.00 0.11 C ATOM 18 O HIS A 2 -0.309 -1.810 6.837 1.00 0.20 O ATOM 19 CB HIS A 2 -3.636 -1.832 5.371 1.00 0.28 C ATOM 20 CG HIS A 2 -4.053 -0.732 4.419 1.00 0.34 C ATOM 21 ND1 HIS A 2 -4.925 0.291 4.723 1.00 0.41 N ATOM 22 CD2 HIS A 2 -3.683 -0.583 3.108 1.00 0.38 C ATOM 23 CE1 HIS A 2 -5.051 1.055 3.624 1.00 0.48 C ATOM 24 NE2 HIS A 2 -4.316 0.561 2.618 1.00 0.46 N ATOM 25 H HIS A 2 -2.376 0.657 6.526 1.00 0.47 H ATOM 26 HA HIS A 2 -2.730 -2.132 7.289 1.00 0.20 H ATOM 27 HB2 HIS A 2 -3.248 -2.682 4.814 1.00 0.30 H ATOM 28 HB3 HIS A 2 -4.542 -2.177 5.872 1.00 0.34 H ATOM 29 HD1 HIS A 2 -5.409 0.418 5.599 1.00 0.41 H ATOM 30 HD2 HIS A 2 -3.023 -1.225 2.541 1.00 0.37 H ATOM 31 HE1 HIS A 2 -5.670 1.941 3.553 1.00 0.56 H ATOM 32 N TRP A 3 -0.870 -1.043 4.803 1.00 0.11 N ATOM 33 CA TRP A 3 0.469 -1.001 4.230 1.00 0.16 C ATOM 34 C TRP A 3 0.339 -0.339 2.853 1.00 0.20 C ATOM 35 O TRP A 3 -0.535 0.502 2.679 1.00 0.50 O ATOM 36 CB TRP A 3 1.078 -2.410 4.160 1.00 0.28 C ATOM 37 CG TRP A 3 0.519 -3.329 3.123 1.00 0.34 C ATOM 38 CD1 TRP A 3 -0.787 -3.578 2.890 1.00 0.37 C ATOM 39 CD2 TRP A 3 1.261 -4.126 2.162 1.00 0.48 C ATOM 40 NE1 TRP A 3 -0.903 -4.485 1.855 1.00 0.48 N ATOM 41 CE2 TRP A 3 0.337 -4.884 1.393 1.00 0.54 C ATOM 42 CE3 TRP A 3 2.633 -4.287 1.885 1.00 0.61 C ATOM 43 CZ2 TRP A 3 0.761 -5.803 0.423 1.00 0.68 C ATOM 44 CZ3 TRP A 3 3.071 -5.207 0.916 1.00 0.77 C ATOM 45 CH2 TRP A 3 2.136 -5.972 0.192 1.00 0.80 C ATOM 46 H TRP A 3 -1.587 -0.618 4.232 1.00 0.20 H ATOM 47 HA TRP A 3 1.117 -0.391 4.858 1.00 0.31 H ATOM 48 HB2 TRP A 3 2.146 -2.295 3.970 1.00 0.38 H ATOM 49 HB3 TRP A 3 1.006 -2.906 5.125 1.00 0.32 H ATOM 50 HD1 TRP A 3 -1.600 -3.140 3.453 1.00 0.34 H ATOM 51 HE1 TRP A 3 -1.789 -4.835 1.515 1.00 0.54 H ATOM 52 HE3 TRP A 3 3.341 -3.715 2.467 1.00 0.61 H ATOM 53 HZ2 TRP A 3 0.039 -6.389 -0.123 1.00 0.74 H ATOM 54 HZ3 TRP A 3 4.132 -5.343 0.766 1.00 0.90 H ATOM 55 HH2 TRP A 3 2.458 -6.706 -0.531 1.00 0.96 H ATOM 56 N SER A 4 1.143 -0.767 1.874 1.00 0.20 N ATOM 57 CA SER A 4 1.159 -0.307 0.492 1.00 0.15 C ATOM 58 C SER A 4 1.765 1.084 0.376 1.00 0.16 C ATOM 59 O SER A 4 1.125 2.097 0.628 1.00 0.25 O ATOM 60 CB SER A 4 -0.217 -0.377 -0.171 1.00 0.31 C ATOM 61 OG SER A 4 -0.674 -1.717 -0.186 1.00 0.52 O ATOM 62 H SER A 4 1.802 -1.493 2.104 1.00 0.35 H ATOM 63 HA SER A 4 1.803 -0.987 -0.063 1.00 0.12 H ATOM 64 HB2 SER A 4 -0.931 0.268 0.341 1.00 0.52 H ATOM 65 HB3 SER A 4 -0.105 -0.031 -1.198 1.00 0.22 H ATOM 66 HG SER A 4 -0.660 -2.041 0.722 1.00 1.00 H ATOM 67 N TYR A 5 3.005 1.132 -0.108 1.00 0.15 N ATOM 68 CA TYR A 5 3.784 2.356 -0.265 1.00 0.18 C ATOM 69 C TYR A 5 3.368 3.187 -1.491 1.00 0.16 C ATOM 70 O TYR A 5 4.152 3.969 -2.018 1.00 0.19 O ATOM 71 CB TYR A 5 5.262 1.957 -0.324 1.00 0.20 C ATOM 72 CG TYR A 5 6.109 2.536 0.781 1.00 0.26 C ATOM 73 CD1 TYR A 5 6.496 1.745 1.878 1.00 1.77 C ATOM 74 CD2 TYR A 5 6.534 3.870 0.683 1.00 1.56 C ATOM 75 CE1 TYR A 5 7.318 2.292 2.878 1.00 1.81 C ATOM 76 CE2 TYR A 5 7.355 4.424 1.678 1.00 1.56 C ATOM 77 CZ TYR A 5 7.754 3.632 2.781 1.00 0.40 C ATOM 78 OH TYR A 5 8.559 4.147 3.752 1.00 0.49 O ATOM 79 H TYR A 5 3.463 0.260 -0.320 1.00 0.18 H ATOM 80 HA TYR A 5 3.635 2.978 0.608 1.00 0.21 H ATOM 81 HB2 TYR A 5 5.356 0.874 -0.321 1.00 0.17 H ATOM 82 HB3 TYR A 5 5.684 2.302 -1.257 1.00 0.20 H ATOM 83 HD1 TYR A 5 6.175 0.716 1.954 1.00 3.01 H ATOM 84 HD2 TYR A 5 6.232 4.469 -0.166 1.00 2.82 H ATOM 85 HE1 TYR A 5 7.624 1.688 3.719 1.00 3.07 H ATOM 86 HE2 TYR A 5 7.675 5.448 1.578 1.00 2.81 H ATOM 87 HH TYR A 5 8.814 5.058 3.598 1.00 1.17 H HETATM 88 N DLE A 6 2.145 2.991 -1.985 1.00 0.13 N HETATM 89 CA DLE A 6 1.665 3.580 -3.234 1.00 0.13 C HETATM 90 CB DLE A 6 0.133 3.593 -3.284 1.00 0.14 C HETATM 91 CG DLE A 6 -0.496 2.197 -3.456 1.00 0.39 C HETATM 92 CD1 DLE A 6 -1.186 2.068 -4.816 1.00 0.63 C HETATM 93 CD2 DLE A 6 -1.529 1.968 -2.351 1.00 0.57 C HETATM 94 C DLE A 6 2.229 2.868 -4.458 1.00 0.12 C HETATM 95 O DLE A 6 2.006 3.291 -5.587 1.00 0.20 O HETATM 96 H DLE A 6 1.546 2.392 -1.450 1.00 0.13 H HETATM 97 HA DLE A 6 2.015 4.606 -3.271 1.00 0.16 H HETATM 98 HB2 DLE A 6 -0.172 4.226 -4.118 1.00 0.34 H HETATM 99 HB3 DLE A 6 -0.239 4.066 -2.373 1.00 0.25 H HETATM 100 HG DLE A 6 0.271 1.419 -3.392 1.00 0.41 H HETATM 101 HD11 DLE A 6 -0.445 2.121 -5.614 1.00 1.43 H HETATM 102 HD12 DLE A 6 -1.910 2.873 -4.946 1.00 1.36 H HETATM 103 HD13 DLE A 6 -1.713 1.118 -4.879 1.00 1.84 H HETATM 104 HD21 DLE A 6 -2.356 2.670 -2.465 1.00 1.26 H HETATM 105 HD22 DLE A 6 -1.072 2.124 -1.372 1.00 1.63 H HETATM 106 HD23 DLE A 6 -1.916 0.951 -2.405 1.00 1.54 H ATOM 107 N LEU A 7 2.939 1.763 -4.240 1.00 0.09 N ATOM 108 CA LEU A 7 3.598 1.027 -5.304 1.00 0.12 C ATOM 109 C LEU A 7 2.603 0.080 -5.970 1.00 0.16 C ATOM 110 O LEU A 7 2.798 -0.324 -7.111 1.00 0.25 O ATOM 111 CB LEU A 7 4.804 0.243 -4.756 1.00 0.14 C ATOM 112 CG LEU A 7 5.587 0.986 -3.661 1.00 0.19 C ATOM 113 CD1 LEU A 7 6.802 0.159 -3.236 1.00 0.22 C ATOM 114 CD2 LEU A 7 6.073 2.362 -4.127 1.00 0.24 C ATOM 115 H LEU A 7 3.073 1.472 -3.288 1.00 0.10 H ATOM 116 HA LEU A 7 3.952 1.739 -6.051 1.00 0.17 H ATOM 117 HB2 LEU A 7 4.455 -0.701 -4.340 1.00 0.14 H ATOM 118 HB3 LEU A 7 5.473 0.018 -5.588 1.00 0.19 H ATOM 119 HG LEU A 7 4.935 1.092 -2.789 1.00 0.19 H ATOM 120 HD11 LEU A 7 6.484 -0.824 -2.890 1.00 1.45 H ATOM 121 HD12 LEU A 7 7.487 0.043 -4.077 1.00 1.23 H ATOM 122 HD13 LEU A 7 7.324 0.666 -2.423 1.00 1.37 H ATOM 123 HD21 LEU A 7 6.704 2.262 -5.009 1.00 1.39 H ATOM 124 HD22 LEU A 7 5.230 3.010 -4.364 1.00 1.52 H ATOM 125 HD23 LEU A 7 6.645 2.844 -3.333 1.00 1.60 H ATOM 126 N ARG A 8 1.570 -0.337 -5.228 1.00 0.13 N ATOM 127 CA ARG A 8 0.585 -1.312 -5.651 1.00 0.24 C ATOM 128 C ARG A 8 -0.537 -1.379 -4.625 1.00 0.15 C ATOM 129 O ARG A 8 -0.299 -1.202 -3.429 1.00 0.15 O ATOM 130 CB ARG A 8 1.237 -2.691 -5.772 1.00 0.41 C ATOM 131 CG ARG A 8 1.903 -3.130 -4.458 1.00 0.47 C ATOM 132 CD ARG A 8 3.333 -3.641 -4.681 1.00 0.68 C ATOM 133 NE ARG A 8 3.417 -5.104 -4.553 1.00 0.57 N ATOM 134 CZ ARG A 8 3.725 -5.767 -3.431 1.00 1.34 C ATOM 135 NH1 ARG A 8 3.979 -5.099 -2.306 1.00 2.94 N ATOM 136 NH2 ARG A 8 3.777 -7.100 -3.431 1.00 1.41 N ATOM 137 H ARG A 8 1.416 0.037 -4.307 1.00 0.06 H ATOM 138 HA ARG A 8 0.200 -0.994 -6.618 1.00 0.35 H ATOM 139 HB2 ARG A 8 0.479 -3.424 -6.042 1.00 0.45 H ATOM 140 HB3 ARG A 8 1.962 -2.650 -6.580 1.00 0.54 H ATOM 141 HG2 ARG A 8 1.956 -2.296 -3.761 1.00 0.34 H ATOM 142 HG3 ARG A 8 1.278 -3.890 -3.987 1.00 0.57 H ATOM 143 HD2 ARG A 8 3.691 -3.346 -5.668 1.00 0.89 H ATOM 144 HD3 ARG A 8 3.996 -3.155 -3.965 1.00 1.00 H ATOM 145 HE ARG A 8 3.235 -5.619 -5.403 1.00 1.71 H ATOM 146 HH11 ARG A 8 3.897 -4.096 -2.285 1.00 3.02 H ATOM 147 HH12 ARG A 8 4.228 -5.563 -1.447 1.00 4.16 H ATOM 148 HH21 ARG A 8 3.577 -7.626 -4.269 1.00 0.95 H ATOM 149 HH22 ARG A 8 4.021 -7.625 -2.606 1.00 2.50 H ATOM 150 N PRO A 9 -1.758 -1.685 -5.056 1.00 0.19 N ATOM 151 CA PRO A 9 -2.921 -1.765 -4.193 1.00 0.22 C ATOM 152 C PRO A 9 -2.915 -3.091 -3.429 1.00 0.28 C ATOM 153 O PRO A 9 -3.758 -3.950 -3.674 1.00 0.33 O ATOM 154 CB PRO A 9 -4.090 -1.659 -5.171 1.00 0.29 C ATOM 155 CG PRO A 9 -3.560 -2.392 -6.400 1.00 0.33 C ATOM 156 CD PRO A 9 -2.111 -1.922 -6.441 1.00 0.30 C ATOM 157 HA PRO A 9 -2.951 -0.933 -3.490 1.00 0.26 H ATOM 158 HB2 PRO A 9 -5.004 -2.107 -4.784 1.00 0.33 H ATOM 159 HB3 PRO A 9 -4.242 -0.610 -5.418 1.00 0.35 H ATOM 160 HG2 PRO A 9 -3.582 -3.466 -6.219 1.00 0.35 H ATOM 161 HG3 PRO A 9 -4.102 -2.126 -7.307 1.00 0.42 H ATOM 162 HD2 PRO A 9 -1.474 -2.684 -6.889 1.00 0.36 H ATOM 163 HD3 PRO A 9 -2.028 -0.985 -6.992 1.00 0.35 H TER 164 PRO A 9 HETATM 165 N NEH A 10 -1.953 -3.276 -2.521 1.00 0.39 N HETATM 166 CA NEH A 10 -1.859 -4.482 -1.710 1.00 0.53 C HETATM 167 CB NEH A 10 -1.285 -5.646 -2.525 1.00 1.59 C HETATM 168 H NEH A 10 -1.324 -2.496 -2.322 1.00 0.39 H HETATM 169 HA2 NEH A 10 -1.208 -4.286 -0.863 1.00 0.85 H HETATM 170 HA3 NEH A 10 -2.848 -4.751 -1.335 1.00 1.21 H HETATM 171 HB1 NEH A 10 -0.249 -5.444 -2.794 1.00 2.44 H HETATM 172 HB2 NEH A 10 -1.333 -6.562 -1.937 1.00 1.90 H HETATM 173 HB3 NEH A 10 -1.873 -5.797 -3.431 1.00 2.43 H