HETATM 1 N PCA A 1 -5.201 1.699 8.493 1.00 0.69 N HETATM 2 CA PCA A 1 -3.773 1.445 8.499 1.00 0.33 C HETATM 3 CB PCA A 1 -3.303 1.793 9.926 1.00 0.92 C HETATM 4 CG PCA A 1 -4.596 1.825 10.750 1.00 1.22 C HETATM 5 CD PCA A 1 -5.688 1.934 9.704 1.00 1.02 C HETATM 6 OE PCA A 1 -6.858 2.199 9.960 1.00 1.58 O HETATM 7 C PCA A 1 -3.519 -0.016 8.135 1.00 0.33 C HETATM 8 O PCA A 1 -3.749 -0.908 8.944 1.00 0.71 O HETATM 9 H PCA A 1 -5.768 1.704 7.661 1.00 1.20 H HETATM 10 HA PCA A 1 -3.271 2.098 7.785 1.00 0.79 H HETATM 11 HB2 PCA A 1 -2.856 2.787 9.922 1.00 1.14 H HETATM 12 HB3 PCA A 1 -2.593 1.065 10.322 1.00 1.30 H HETATM 13 HG2 PCA A 1 -4.609 2.685 11.421 1.00 1.47 H HETATM 14 HG3 PCA A 1 -4.715 0.896 11.307 1.00 1.70 H ATOM 15 N HIS A 2 -3.051 -0.253 6.908 1.00 0.16 N ATOM 16 CA HIS A 2 -2.660 -1.565 6.430 1.00 0.14 C ATOM 17 C HIS A 2 -1.202 -1.454 5.999 1.00 0.13 C ATOM 18 O HIS A 2 -0.310 -1.665 6.813 1.00 0.15 O ATOM 19 CB HIS A 2 -3.636 -2.072 5.346 1.00 0.19 C ATOM 20 CG HIS A 2 -4.113 -1.042 4.346 1.00 0.21 C ATOM 21 ND1 HIS A 2 -5.036 -0.049 4.597 1.00 0.25 N ATOM 22 CD2 HIS A 2 -3.756 -0.947 3.026 1.00 0.23 C ATOM 23 CE1 HIS A 2 -5.206 0.645 3.457 1.00 0.28 C ATOM 24 NE2 HIS A 2 -4.447 0.135 2.475 1.00 0.27 N ATOM 25 H HIS A 2 -2.884 0.505 6.265 1.00 0.44 H ATOM 26 HA HIS A 2 -2.686 -2.283 7.250 1.00 0.15 H ATOM 27 HB2 HIS A 2 -3.184 -2.912 4.819 1.00 0.21 H ATOM 28 HB3 HIS A 2 -4.520 -2.459 5.853 1.00 0.21 H ATOM 29 HD1 HIS A 2 -5.532 0.097 5.462 1.00 0.26 H ATOM 30 HD2 HIS A 2 -3.054 -1.578 2.499 1.00 0.24 H ATOM 31 HE1 HIS A 2 -5.871 1.489 3.338 1.00 0.33 H ATOM 32 N TRP A 3 -0.959 -1.088 4.743 1.00 0.13 N ATOM 33 CA TRP A 3 0.353 -0.898 4.142 1.00 0.15 C ATOM 34 C TRP A 3 0.105 -0.397 2.711 1.00 0.17 C ATOM 35 O TRP A 3 -0.977 0.108 2.424 1.00 0.28 O ATOM 36 CB TRP A 3 1.171 -2.200 4.172 1.00 0.17 C ATOM 37 CG TRP A 3 0.775 -3.224 3.163 1.00 0.18 C ATOM 38 CD1 TRP A 3 -0.483 -3.646 2.927 1.00 0.19 C ATOM 39 CD2 TRP A 3 1.617 -3.887 2.181 1.00 0.24 C ATOM 40 NE1 TRP A 3 -0.475 -4.546 1.880 1.00 0.25 N ATOM 41 CE2 TRP A 3 0.797 -4.720 1.370 1.00 0.28 C ATOM 42 CE3 TRP A 3 2.993 -3.837 1.885 1.00 0.30 C ATOM 43 CZ2 TRP A 3 1.322 -5.482 0.315 1.00 0.35 C ATOM 44 CZ3 TRP A 3 3.535 -4.605 0.838 1.00 0.37 C ATOM 45 CH2 TRP A 3 2.704 -5.427 0.055 1.00 0.40 C ATOM 46 H TRP A 3 -1.727 -0.800 4.157 1.00 0.15 H ATOM 47 HA TRP A 3 0.903 -0.142 4.700 1.00 0.20 H ATOM 48 HB2 TRP A 3 2.214 -1.940 4.001 1.00 0.21 H ATOM 49 HB3 TRP A 3 1.136 -2.659 5.158 1.00 0.18 H ATOM 50 HD1 TRP A 3 -1.343 -3.292 3.477 1.00 0.17 H ATOM 51 HE1 TRP A 3 -1.312 -4.978 1.514 1.00 0.28 H ATOM 52 HE3 TRP A 3 3.625 -3.205 2.493 1.00 0.30 H ATOM 53 HZ2 TRP A 3 0.675 -6.109 -0.280 1.00 0.39 H ATOM 54 HZ3 TRP A 3 4.598 -4.571 0.643 1.00 0.42 H ATOM 55 HH2 TRP A 3 3.130 -6.022 -0.739 1.00 0.47 H ATOM 56 N SER A 4 1.071 -0.592 1.814 1.00 0.14 N ATOM 57 CA SER A 4 1.119 -0.165 0.418 1.00 0.11 C ATOM 58 C SER A 4 1.839 1.168 0.349 1.00 0.10 C ATOM 59 O SER A 4 1.291 2.204 0.706 1.00 0.13 O ATOM 60 CB SER A 4 -0.251 -0.016 -0.259 1.00 0.18 C ATOM 61 OG SER A 4 -1.039 -1.181 -0.152 1.00 0.32 O ATOM 62 H SER A 4 1.838 -1.159 2.135 1.00 0.19 H ATOM 63 HA SER A 4 1.703 -0.893 -0.145 1.00 0.12 H ATOM 64 HB2 SER A 4 -0.793 0.829 0.165 1.00 0.24 H ATOM 65 HB3 SER A 4 -0.076 0.195 -1.312 1.00 0.16 H ATOM 66 HG SER A 4 -1.408 -1.148 0.741 1.00 0.50 H ATOM 67 N TYR A 5 3.053 1.166 -0.196 1.00 0.09 N ATOM 68 CA TYR A 5 3.851 2.378 -0.339 1.00 0.12 C ATOM 69 C TYR A 5 3.437 3.215 -1.559 1.00 0.11 C ATOM 70 O TYR A 5 4.224 3.994 -2.085 1.00 0.14 O ATOM 71 CB TYR A 5 5.324 1.966 -0.393 1.00 0.15 C ATOM 72 CG TYR A 5 6.186 2.573 0.688 1.00 0.20 C ATOM 73 CD1 TYR A 5 6.350 3.967 0.731 1.00 1.92 C ATOM 74 CD2 TYR A 5 6.845 1.752 1.620 1.00 1.88 C ATOM 75 CE1 TYR A 5 7.170 4.547 1.711 1.00 1.95 C ATOM 76 CE2 TYR A 5 7.671 2.325 2.602 1.00 1.87 C ATOM 77 CZ TYR A 5 7.837 3.730 2.650 1.00 0.33 C ATOM 78 OH TYR A 5 8.639 4.303 3.591 1.00 0.41 O ATOM 79 H TYR A 5 3.465 0.291 -0.478 1.00 0.10 H ATOM 80 HA TYR A 5 3.708 2.995 0.539 1.00 0.15 H ATOM 81 HB2 TYR A 5 5.398 0.881 -0.354 1.00 0.15 H ATOM 82 HB3 TYR A 5 5.737 2.276 -1.339 1.00 0.15 H ATOM 83 HD1 TYR A 5 5.853 4.595 0.002 1.00 3.35 H ATOM 84 HD2 TYR A 5 6.728 0.679 1.583 1.00 3.33 H ATOM 85 HE1 TYR A 5 7.294 5.618 1.737 1.00 3.40 H ATOM 86 HE2 TYR A 5 8.174 1.681 3.305 1.00 3.32 H ATOM 87 HH TYR A 5 9.064 3.673 4.174 1.00 1.32 H HETATM 88 N DLE A 6 2.211 3.024 -2.051 1.00 0.09 N HETATM 89 CA DLE A 6 1.737 3.617 -3.300 1.00 0.09 C HETATM 90 CB DLE A 6 0.201 3.686 -3.333 1.00 0.11 C HETATM 91 CG DLE A 6 -0.484 2.360 -3.716 1.00 0.24 C HETATM 92 CD1 DLE A 6 -1.047 2.408 -5.140 1.00 0.40 C HETATM 93 CD2 DLE A 6 -1.644 2.079 -2.761 1.00 0.36 C HETATM 94 C DLE A 6 2.299 2.889 -4.518 1.00 0.09 C HETATM 95 O DLE A 6 2.132 3.339 -5.645 1.00 0.16 O HETATM 96 H DLE A 6 1.610 2.424 -1.519 1.00 0.09 H HETATM 97 HA DLE A 6 2.119 4.630 -3.340 1.00 0.12 H HETATM 98 HB2 DLE A 6 -0.092 4.450 -4.054 1.00 0.25 H HETATM 99 HB3 DLE A 6 -0.149 4.020 -2.356 1.00 0.22 H HETATM 100 HG DLE A 6 0.230 1.536 -3.647 1.00 0.27 H HETATM 101 HD11 DLE A 6 -0.265 2.671 -5.851 1.00 1.47 H HETATM 102 HD12 DLE A 6 -1.838 3.156 -5.202 1.00 1.41 H HETATM 103 HD13 DLE A 6 -1.456 1.437 -5.413 1.00 1.43 H HETATM 104 HD21 DLE A 6 -2.075 1.104 -2.983 1.00 1.69 H HETATM 105 HD22 DLE A 6 -2.413 2.844 -2.870 1.00 1.64 H HETATM 106 HD23 DLE A 6 -1.291 2.085 -1.732 1.00 1.70 H ATOM 107 N LEU A 7 2.953 1.748 -4.294 1.00 0.06 N ATOM 108 CA LEU A 7 3.586 0.978 -5.351 1.00 0.09 C ATOM 109 C LEU A 7 2.596 -0.026 -5.936 1.00 0.12 C ATOM 110 O LEU A 7 2.785 -0.510 -7.048 1.00 0.19 O ATOM 111 CB LEU A 7 4.823 0.237 -4.818 1.00 0.12 C ATOM 112 CG LEU A 7 5.636 1.018 -3.773 1.00 0.13 C ATOM 113 CD1 LEU A 7 6.857 0.201 -3.331 1.00 0.17 C ATOM 114 CD2 LEU A 7 6.093 2.385 -4.291 1.00 0.16 C ATOM 115 H LEU A 7 3.088 1.461 -3.340 1.00 0.07 H ATOM 116 HA LEU A 7 3.899 1.662 -6.139 1.00 0.10 H ATOM 117 HB2 LEU A 7 4.503 -0.699 -4.358 1.00 0.13 H ATOM 118 HB3 LEU A 7 5.465 -0.006 -5.667 1.00 0.16 H ATOM 119 HG LEU A 7 4.996 1.161 -2.900 1.00 0.12 H ATOM 120 HD11 LEU A 7 6.943 -0.715 -3.915 1.00 1.08 H ATOM 121 HD12 LEU A 7 7.771 0.781 -3.463 1.00 1.04 H ATOM 122 HD13 LEU A 7 6.765 -0.061 -2.277 1.00 1.11 H ATOM 123 HD21 LEU A 7 6.721 2.266 -5.175 1.00 1.48 H ATOM 124 HD22 LEU A 7 5.237 3.008 -4.546 1.00 1.49 H ATOM 125 HD23 LEU A 7 6.658 2.904 -3.515 1.00 1.49 H ATOM 126 N ARG A 8 1.584 -0.414 -5.152 1.00 0.10 N ATOM 127 CA ARG A 8 0.644 -1.465 -5.483 1.00 0.17 C ATOM 128 C ARG A 8 -0.536 -1.395 -4.521 1.00 0.10 C ATOM 129 O ARG A 8 -0.359 -1.108 -3.337 1.00 0.10 O ATOM 130 CB ARG A 8 1.333 -2.829 -5.364 1.00 0.26 C ATOM 131 CG ARG A 8 1.858 -3.091 -3.942 1.00 0.28 C ATOM 132 CD ARG A 8 3.245 -3.739 -3.971 1.00 0.43 C ATOM 133 NE ARG A 8 3.175 -5.181 -4.267 1.00 0.49 N ATOM 134 CZ ARG A 8 4.142 -5.927 -4.822 1.00 0.82 C ATOM 135 NH1 ARG A 8 5.257 -5.363 -5.287 1.00 1.90 N ATOM 136 NH2 ARG A 8 3.992 -7.251 -4.904 1.00 0.79 N ATOM 137 H ARG A 8 1.418 0.027 -4.265 1.00 0.06 H ATOM 138 HA ARG A 8 0.315 -1.297 -6.506 1.00 0.25 H ATOM 139 HB2 ARG A 8 0.629 -3.615 -5.636 1.00 0.29 H ATOM 140 HB3 ARG A 8 2.158 -2.855 -6.076 1.00 0.36 H ATOM 141 HG2 ARG A 8 1.959 -2.154 -3.399 1.00 0.21 H ATOM 142 HG3 ARG A 8 1.144 -3.712 -3.397 1.00 0.33 H ATOM 143 HD2 ARG A 8 3.855 -3.209 -4.703 1.00 0.52 H ATOM 144 HD3 ARG A 8 3.705 -3.602 -2.991 1.00 0.54 H ATOM 145 HE ARG A 8 2.330 -5.635 -3.950 1.00 1.27 H ATOM 146 HH11 ARG A 8 5.371 -4.363 -5.246 1.00 2.04 H ATOM 147 HH12 ARG A 8 5.994 -5.902 -5.714 1.00 2.66 H ATOM 148 HH21 ARG A 8 3.164 -7.707 -4.549 1.00 0.78 H ATOM 149 HH22 ARG A 8 4.704 -7.841 -5.309 1.00 1.41 H ATOM 150 N PRO A 9 -1.744 -1.699 -4.986 1.00 0.17 N ATOM 151 CA PRO A 9 -2.924 -1.763 -4.150 1.00 0.21 C ATOM 152 C PRO A 9 -2.859 -3.037 -3.306 1.00 0.21 C ATOM 153 O PRO A 9 -3.441 -4.055 -3.668 1.00 0.48 O ATOM 154 CB PRO A 9 -4.081 -1.771 -5.145 1.00 0.31 C ATOM 155 CG PRO A 9 -3.485 -2.560 -6.308 1.00 0.30 C ATOM 156 CD PRO A 9 -2.048 -2.055 -6.356 1.00 0.26 C ATOM 157 HA PRO A 9 -3.002 -0.890 -3.503 1.00 0.25 H ATOM 158 HB2 PRO A 9 -4.975 -2.241 -4.739 1.00 0.36 H ATOM 159 HB3 PRO A 9 -4.282 -0.749 -5.465 1.00 0.37 H ATOM 160 HG2 PRO A 9 -3.470 -3.616 -6.046 1.00 0.29 H ATOM 161 HG3 PRO A 9 -4.016 -2.383 -7.242 1.00 0.39 H ATOM 162 HD2 PRO A 9 -1.381 -2.836 -6.718 1.00 0.28 H ATOM 163 HD3 PRO A 9 -1.973 -1.164 -6.980 1.00 0.31 H TER 164 PRO A 9 HETATM 165 N NEH A 10 -2.133 -2.983 -2.190 1.00 0.26 N HETATM 166 CA NEH A 10 -1.877 -4.118 -1.311 1.00 0.32 C HETATM 167 CB NEH A 10 -3.181 -4.695 -0.744 1.00 2.06 C HETATM 168 H NEH A 10 -1.615 -2.118 -2.022 1.00 0.34 H HETATM 169 HA2 NEH A 10 -1.335 -4.893 -1.854 1.00 1.41 H HETATM 170 HA3 NEH A 10 -1.259 -3.776 -0.485 1.00 1.68 H HETATM 171 HB1 NEH A 10 -3.703 -5.265 -1.514 1.00 2.70 H HETATM 172 HB2 NEH A 10 -2.960 -5.371 0.082 1.00 2.50 H HETATM 173 HB3 NEH A 10 -3.831 -3.893 -0.391 1.00 3.30 H