HETATM 1 N PCA A 1 -4.858 1.685 9.514 1.00 1.09 N HETATM 2 CA PCA A 1 -3.910 1.574 8.420 1.00 0.26 C HETATM 3 CB PCA A 1 -2.640 2.307 8.893 1.00 1.20 C HETATM 4 CG PCA A 1 -2.876 2.565 10.387 1.00 1.76 C HETATM 5 CD PCA A 1 -4.348 2.270 10.588 1.00 1.59 C HETATM 6 OE PCA A 1 -4.962 2.531 11.618 1.00 2.34 O HETATM 7 C PCA A 1 -3.655 0.112 8.062 1.00 0.25 C HETATM 8 O PCA A 1 -3.991 -0.791 8.824 1.00 0.54 O HETATM 9 H PCA A 1 -5.781 1.280 9.483 1.00 1.70 H HETATM 10 HA PCA A 1 -4.314 2.085 7.545 1.00 0.77 H HETATM 11 HB2 PCA A 1 -2.558 3.260 8.369 1.00 1.40 H HETATM 12 HB3 PCA A 1 -1.739 1.712 8.735 1.00 1.73 H HETATM 13 HG2 PCA A 1 -2.641 3.598 10.648 1.00 2.03 H HETATM 14 HG3 PCA A 1 -2.284 1.873 10.987 1.00 2.42 H ATOM 15 N HIS A 2 -3.069 -0.117 6.887 1.00 0.20 N ATOM 16 CA HIS A 2 -2.745 -1.436 6.384 1.00 0.23 C ATOM 17 C HIS A 2 -1.279 -1.403 5.966 1.00 0.19 C ATOM 18 O HIS A 2 -0.410 -1.688 6.782 1.00 0.21 O ATOM 19 CB HIS A 2 -3.738 -1.853 5.279 1.00 0.32 C ATOM 20 CG HIS A 2 -4.191 -0.745 4.351 1.00 0.36 C ATOM 21 ND1 HIS A 2 -5.099 0.241 4.674 1.00 0.38 N ATOM 22 CD2 HIS A 2 -3.822 -0.553 3.045 1.00 0.43 C ATOM 23 CE1 HIS A 2 -5.251 1.022 3.592 1.00 0.46 C ATOM 24 NE2 HIS A 2 -4.495 0.578 2.578 1.00 0.48 N ATOM 25 H HIS A 2 -2.811 0.646 6.280 1.00 0.41 H ATOM 26 HA HIS A 2 -2.824 -2.167 7.191 1.00 0.25 H ATOM 27 HB2 HIS A 2 -3.317 -2.673 4.698 1.00 0.37 H ATOM 28 HB3 HIS A 2 -4.631 -2.243 5.769 1.00 0.34 H ATOM 29 HD1 HIS A 2 -5.592 0.335 5.550 1.00 0.36 H ATOM 30 HD2 HIS A 2 -3.134 -1.154 2.468 1.00 0.46 H ATOM 31 HE1 HIS A 2 -5.902 1.884 3.535 1.00 0.51 H ATOM 32 N TRP A 3 -0.995 -1.028 4.719 1.00 0.17 N ATOM 33 CA TRP A 3 0.344 -0.920 4.157 1.00 0.15 C ATOM 34 C TRP A 3 0.181 -0.320 2.755 1.00 0.12 C ATOM 35 O TRP A 3 -0.769 0.421 2.532 1.00 0.29 O ATOM 36 CB TRP A 3 1.042 -2.289 4.142 1.00 0.25 C ATOM 37 CG TRP A 3 0.569 -3.257 3.108 1.00 0.29 C ATOM 38 CD1 TRP A 3 -0.715 -3.597 2.865 1.00 0.31 C ATOM 39 CD2 TRP A 3 1.371 -3.967 2.125 1.00 0.35 C ATOM 40 NE1 TRP A 3 -0.757 -4.498 1.819 1.00 0.37 N ATOM 41 CE2 TRP A 3 0.507 -4.769 1.330 1.00 0.39 C ATOM 42 CE3 TRP A 3 2.748 -3.997 1.829 1.00 0.39 C ATOM 43 CZ2 TRP A 3 0.996 -5.594 0.306 1.00 0.45 C ATOM 44 CZ3 TRP A 3 3.248 -4.812 0.796 1.00 0.46 C ATOM 45 CH2 TRP A 3 2.375 -5.614 0.039 1.00 0.49 C ATOM 46 H TRP A 3 -1.728 -0.665 4.128 1.00 0.18 H ATOM 47 HA TRP A 3 0.938 -0.243 4.770 1.00 0.18 H ATOM 48 HB2 TRP A 3 2.106 -2.114 3.980 1.00 0.28 H ATOM 49 HB3 TRP A 3 0.968 -2.770 5.115 1.00 0.28 H ATOM 50 HD1 TRP A 3 -1.560 -3.212 3.421 1.00 0.30 H ATOM 51 HE1 TRP A 3 -1.615 -4.899 1.463 1.00 0.40 H ATOM 52 HE3 TRP A 3 3.419 -3.394 2.423 1.00 0.39 H ATOM 53 HZ2 TRP A 3 0.321 -6.211 -0.267 1.00 0.49 H ATOM 54 HZ3 TRP A 3 4.309 -4.835 0.596 1.00 0.51 H ATOM 55 HH2 TRP A 3 2.765 -6.252 -0.740 1.00 0.56 H ATOM 56 N SER A 4 1.053 -0.688 1.811 1.00 0.17 N ATOM 57 CA SER A 4 1.106 -0.239 0.426 1.00 0.13 C ATOM 58 C SER A 4 1.751 1.137 0.346 1.00 0.15 C ATOM 59 O SER A 4 1.139 2.154 0.646 1.00 0.22 O ATOM 60 CB SER A 4 -0.257 -0.249 -0.276 1.00 0.21 C ATOM 61 OG SER A 4 -0.789 -1.560 -0.301 1.00 0.40 O ATOM 62 H SER A 4 1.752 -1.362 2.081 1.00 0.28 H ATOM 63 HA SER A 4 1.746 -0.934 -0.117 1.00 0.09 H ATOM 64 HB2 SER A 4 -0.953 0.437 0.204 1.00 0.37 H ATOM 65 HB3 SER A 4 -0.106 0.088 -1.300 1.00 0.15 H ATOM 66 HG SER A 4 -0.923 -1.829 0.615 1.00 0.73 H ATOM 67 N TYR A 5 2.988 1.178 -0.146 1.00 0.14 N ATOM 68 CA TYR A 5 3.765 2.406 -0.293 1.00 0.17 C ATOM 69 C TYR A 5 3.365 3.217 -1.535 1.00 0.14 C ATOM 70 O TYR A 5 4.153 3.986 -2.073 1.00 0.16 O ATOM 71 CB TYR A 5 5.245 2.015 -0.323 1.00 0.21 C ATOM 72 CG TYR A 5 6.084 2.623 0.772 1.00 0.27 C ATOM 73 CD1 TYR A 5 7.216 3.382 0.434 1.00 1.77 C ATOM 74 CD2 TYR A 5 5.738 2.426 2.120 1.00 1.95 C ATOM 75 CE1 TYR A 5 8.006 3.951 1.443 1.00 1.76 C ATOM 76 CE2 TYR A 5 6.521 2.999 3.135 1.00 1.99 C ATOM 77 CZ TYR A 5 7.663 3.766 2.800 1.00 0.45 C ATOM 78 OH TYR A 5 8.435 4.330 3.770 1.00 0.55 O ATOM 79 H TYR A 5 3.439 0.311 -0.393 1.00 0.13 H ATOM 80 HA TYR A 5 3.592 3.039 0.568 1.00 0.22 H ATOM 81 HB2 TYR A 5 5.342 0.932 -0.270 1.00 0.21 H ATOM 82 HB3 TYR A 5 5.667 2.325 -1.267 1.00 0.21 H ATOM 83 HD1 TYR A 5 7.485 3.536 -0.601 1.00 3.17 H ATOM 84 HD2 TYR A 5 4.868 1.840 2.378 1.00 3.33 H ATOM 85 HE1 TYR A 5 8.869 4.534 1.170 1.00 3.14 H ATOM 86 HE2 TYR A 5 6.231 2.843 4.161 1.00 3.42 H ATOM 87 HH TYR A 5 8.114 4.175 4.661 1.00 1.55 H HETATM 88 N DLE A 6 2.146 3.010 -2.030 1.00 0.11 N HETATM 89 CA DLE A 6 1.671 3.585 -3.285 1.00 0.11 C HETATM 90 CB DLE A 6 0.127 3.582 -3.325 1.00 0.15 C HETATM 91 CG DLE A 6 -0.518 2.464 -4.166 1.00 0.54 C HETATM 92 CD1 DLE A 6 -0.903 2.962 -5.563 1.00 0.85 C HETATM 93 CD2 DLE A 6 -1.789 1.938 -3.499 1.00 0.87 C HETATM 94 C DLE A 6 2.329 2.900 -4.485 1.00 0.11 C HETATM 95 O DLE A 6 2.271 3.401 -5.601 1.00 0.25 O HETATM 96 H DLE A 6 1.543 2.421 -1.487 1.00 0.12 H HETATM 97 HA DLE A 6 2.003 4.615 -3.308 1.00 0.16 H HETATM 98 HB2 DLE A 6 -0.208 4.542 -3.720 1.00 0.42 H HETATM 99 HB3 DLE A 6 -0.247 3.521 -2.301 1.00 0.51 H HETATM 100 HG DLE A 6 0.171 1.629 -4.253 1.00 0.67 H HETATM 101 HD11 DLE A 6 -0.099 3.552 -6.000 1.00 1.86 H HETATM 102 HD12 DLE A 6 -1.793 3.590 -5.503 1.00 1.68 H HETATM 103 HD13 DLE A 6 -1.105 2.113 -6.216 1.00 1.32 H HETATM 104 HD21 DLE A 6 -2.454 2.767 -3.254 1.00 1.54 H HETATM 105 HD22 DLE A 6 -1.533 1.402 -2.586 1.00 1.20 H HETATM 106 HD23 DLE A 6 -2.303 1.259 -4.178 1.00 2.03 H ATOM 107 N LEU A 7 2.954 1.741 -4.259 1.00 0.07 N ATOM 108 CA LEU A 7 3.634 0.994 -5.309 1.00 0.12 C ATOM 109 C LEU A 7 2.683 -0.017 -5.953 1.00 0.16 C ATOM 110 O LEU A 7 2.927 -0.483 -7.060 1.00 0.25 O ATOM 111 CB LEU A 7 4.871 0.268 -4.752 1.00 0.16 C ATOM 112 CG LEU A 7 5.623 1.047 -3.664 1.00 0.19 C ATOM 113 CD1 LEU A 7 6.842 0.247 -3.200 1.00 0.25 C ATOM 114 CD2 LEU A 7 6.093 2.424 -4.146 1.00 0.24 C ATOM 115 H LEU A 7 3.055 1.440 -3.304 1.00 0.09 H ATOM 116 HA LEU A 7 3.961 1.697 -6.074 1.00 0.14 H ATOM 117 HB2 LEU A 7 4.558 -0.685 -4.326 1.00 0.16 H ATOM 118 HB3 LEU A 7 5.549 0.060 -5.582 1.00 0.23 H ATOM 119 HG LEU A 7 4.952 1.160 -2.809 1.00 0.16 H ATOM 120 HD11 LEU A 7 6.530 -0.736 -2.846 1.00 1.43 H ATOM 121 HD12 LEU A 7 7.545 0.129 -4.024 1.00 1.18 H ATOM 122 HD13 LEU A 7 7.338 0.773 -2.384 1.00 1.45 H ATOM 123 HD21 LEU A 7 6.750 2.318 -5.008 1.00 1.38 H ATOM 124 HD22 LEU A 7 5.242 3.046 -4.421 1.00 1.51 H ATOM 125 HD23 LEU A 7 6.630 2.934 -3.346 1.00 1.59 H ATOM 126 N ARG A 8 1.637 -0.424 -5.224 1.00 0.13 N ATOM 127 CA ARG A 8 0.685 -1.452 -5.610 1.00 0.20 C ATOM 128 C ARG A 8 -0.477 -1.417 -4.622 1.00 0.16 C ATOM 129 O ARG A 8 -0.273 -1.154 -3.436 1.00 0.15 O ATOM 130 CB ARG A 8 1.354 -2.833 -5.567 1.00 0.27 C ATOM 131 CG ARG A 8 1.924 -3.138 -4.171 1.00 0.28 C ATOM 132 CD ARG A 8 3.338 -3.714 -4.262 1.00 0.41 C ATOM 133 NE ARG A 8 3.321 -5.158 -4.546 1.00 0.53 N ATOM 134 CZ ARG A 8 4.383 -5.900 -4.886 1.00 0.98 C ATOM 135 NH1 ARG A 8 5.559 -5.321 -5.134 1.00 2.00 N ATOM 136 NH2 ARG A 8 4.268 -7.226 -4.972 1.00 0.96 N ATOM 137 H ARG A 8 1.443 0.003 -4.334 1.00 0.09 H ATOM 138 HA ARG A 8 0.344 -1.235 -6.620 1.00 0.27 H ATOM 139 HB2 ARG A 8 0.628 -3.601 -5.833 1.00 0.30 H ATOM 140 HB3 ARG A 8 2.148 -2.862 -6.315 1.00 0.36 H ATOM 141 HG2 ARG A 8 1.988 -2.230 -3.577 1.00 0.21 H ATOM 142 HG3 ARG A 8 1.250 -3.818 -3.646 1.00 0.33 H ATOM 143 HD2 ARG A 8 3.888 -3.165 -5.029 1.00 0.48 H ATOM 144 HD3 ARG A 8 3.835 -3.544 -3.306 1.00 0.49 H ATOM 145 HE ARG A 8 2.431 -5.613 -4.399 1.00 1.18 H ATOM 146 HH11 ARG A 8 5.641 -4.316 -5.093 1.00 2.12 H ATOM 147 HH12 ARG A 8 6.376 -5.850 -5.395 1.00 2.73 H ATOM 148 HH21 ARG A 8 3.392 -7.688 -4.777 1.00 0.84 H ATOM 149 HH22 ARG A 8 5.052 -7.812 -5.217 1.00 1.55 H ATOM 150 N PRO A 9 -1.693 -1.727 -5.061 1.00 0.21 N ATOM 151 CA PRO A 9 -2.871 -1.750 -4.212 1.00 0.23 C ATOM 152 C PRO A 9 -2.894 -3.037 -3.383 1.00 0.23 C ATOM 153 O PRO A 9 -3.746 -3.895 -3.600 1.00 0.29 O ATOM 154 CB PRO A 9 -4.025 -1.685 -5.210 1.00 0.31 C ATOM 155 CG PRO A 9 -3.482 -2.499 -6.385 1.00 0.32 C ATOM 156 CD PRO A 9 -2.025 -2.051 -6.432 1.00 0.29 C ATOM 157 HA PRO A 9 -2.903 -0.886 -3.548 1.00 0.27 H ATOM 158 HB2 PRO A 9 -4.951 -2.099 -4.813 1.00 0.34 H ATOM 159 HB3 PRO A 9 -4.162 -0.652 -5.522 1.00 0.37 H ATOM 160 HG2 PRO A 9 -3.519 -3.560 -6.139 1.00 0.30 H ATOM 161 HG3 PRO A 9 -4.008 -2.286 -7.314 1.00 0.40 H ATOM 162 HD2 PRO A 9 -1.390 -2.850 -6.815 1.00 0.30 H ATOM 163 HD3 PRO A 9 -1.923 -1.154 -7.044 1.00 0.34 H TER 164 PRO A 9 HETATM 165 N NEH A 10 -1.949 -3.196 -2.453 1.00 0.32 N HETATM 166 CA NEH A 10 -1.896 -4.368 -1.588 1.00 0.39 C HETATM 167 CB NEH A 10 -1.393 -5.598 -2.352 1.00 1.45 C HETATM 168 H NEH A 10 -1.325 -2.409 -2.255 1.00 0.31 H HETATM 169 HA2 NEH A 10 -1.220 -4.164 -0.764 1.00 0.87 H HETATM 170 HA3 NEH A 10 -2.889 -4.571 -1.184 1.00 1.11 H HETATM 171 HB1 NEH A 10 -2.009 -5.774 -3.234 1.00 2.17 H HETATM 172 HB2 NEH A 10 -0.356 -5.454 -2.658 1.00 2.53 H HETATM 173 HB3 NEH A 10 -1.463 -6.477 -1.711 1.00 2.24 H