HETATM 1 N PCA A 1 -4.992 1.746 8.975 1.00 0.73 N HETATM 2 CA PCA A 1 -3.634 1.579 8.492 1.00 0.45 C HETATM 3 CB PCA A 1 -2.727 2.092 9.629 1.00 0.97 C HETATM 4 CG PCA A 1 -3.656 2.194 10.844 1.00 1.25 C HETATM 5 CD PCA A 1 -5.047 2.109 10.249 1.00 1.06 C HETATM 6 OE PCA A 1 -6.076 2.339 10.878 1.00 1.50 O HETATM 7 C PCA A 1 -3.386 0.109 8.164 1.00 0.45 C HETATM 8 O PCA A 1 -3.478 -0.745 9.040 1.00 0.97 O HETATM 9 H PCA A 1 -5.811 1.572 8.414 1.00 1.07 H HETATM 10 HA PCA A 1 -3.479 2.190 7.602 1.00 0.66 H HETATM 11 HB2 PCA A 1 -2.358 3.086 9.372 1.00 1.10 H HETATM 12 HB3 PCA A 1 -1.890 1.420 9.823 1.00 1.31 H HETATM 13 HG2 PCA A 1 -3.513 3.140 11.367 1.00 1.43 H HETATM 14 HG3 PCA A 1 -3.495 1.352 11.517 1.00 1.66 H ATOM 15 N HIS A 2 -3.073 -0.178 6.900 1.00 0.17 N ATOM 16 CA HIS A 2 -2.730 -1.506 6.431 1.00 0.18 C ATOM 17 C HIS A 2 -1.270 -1.454 5.996 1.00 0.17 C ATOM 18 O HIS A 2 -0.383 -1.709 6.803 1.00 0.19 O ATOM 19 CB HIS A 2 -3.726 -1.980 5.352 1.00 0.24 C ATOM 20 CG HIS A 2 -4.178 -0.929 4.361 1.00 0.25 C ATOM 21 ND1 HIS A 2 -5.068 0.090 4.626 1.00 0.28 N ATOM 22 CD2 HIS A 2 -3.822 -0.832 3.041 1.00 0.26 C ATOM 23 CE1 HIS A 2 -5.221 0.800 3.494 1.00 0.30 C ATOM 24 NE2 HIS A 2 -4.482 0.275 2.505 1.00 0.28 N ATOM 25 H HIS A 2 -2.999 0.553 6.209 1.00 0.53 H ATOM 26 HA HIS A 2 -2.780 -2.222 7.251 1.00 0.19 H ATOM 27 HB2 HIS A 2 -3.302 -2.829 4.817 1.00 0.27 H ATOM 28 HB3 HIS A 2 -4.617 -2.344 5.863 1.00 0.27 H ATOM 29 HD1 HIS A 2 -5.556 0.250 5.496 1.00 0.30 H ATOM 30 HD2 HIS A 2 -3.142 -1.479 2.507 1.00 0.27 H ATOM 31 HE1 HIS A 2 -5.859 1.666 3.386 1.00 0.35 H ATOM 32 N TRP A 3 -1.017 -1.090 4.741 1.00 0.17 N ATOM 33 CA TRP A 3 0.300 -0.947 4.142 1.00 0.19 C ATOM 34 C TRP A 3 0.071 -0.415 2.720 1.00 0.19 C ATOM 35 O TRP A 3 -0.986 0.142 2.440 1.00 0.26 O ATOM 36 CB TRP A 3 1.060 -2.284 4.152 1.00 0.23 C ATOM 37 CG TRP A 3 0.623 -3.275 3.126 1.00 0.25 C ATOM 38 CD1 TRP A 3 -0.651 -3.648 2.891 1.00 0.26 C ATOM 39 CD2 TRP A 3 1.437 -3.953 2.131 1.00 0.31 C ATOM 40 NE1 TRP A 3 -0.680 -4.526 1.825 1.00 0.31 N ATOM 41 CE2 TRP A 3 0.585 -4.751 1.317 1.00 0.34 C ATOM 42 CE3 TRP A 3 2.813 -3.949 1.830 1.00 0.35 C ATOM 43 CZ2 TRP A 3 1.083 -5.528 0.259 1.00 0.41 C ATOM 44 CZ3 TRP A 3 3.325 -4.727 0.775 1.00 0.41 C ATOM 45 CH2 TRP A 3 2.463 -5.517 -0.008 1.00 0.45 C ATOM 46 H TRP A 3 -1.775 -0.764 4.161 1.00 0.18 H ATOM 47 HA TRP A 3 0.881 -0.223 4.711 1.00 0.21 H ATOM 48 HB2 TRP A 3 2.115 -2.066 3.986 1.00 0.26 H ATOM 49 HB3 TRP A 3 1.005 -2.757 5.130 1.00 0.25 H ATOM 50 HD1 TRP A 3 -1.495 -3.276 3.456 1.00 0.24 H ATOM 51 HE1 TRP A 3 -1.531 -4.922 1.452 1.00 0.34 H ATOM 52 HE3 TRP A 3 3.471 -3.346 2.439 1.00 0.34 H ATOM 53 HZ2 TRP A 3 0.413 -6.130 -0.337 1.00 0.45 H ATOM 54 HZ3 TRP A 3 4.387 -4.728 0.574 1.00 0.46 H ATOM 55 HH2 TRP A 3 2.862 -6.123 -0.808 1.00 0.52 H ATOM 56 N SER A 4 1.024 -0.647 1.817 1.00 0.18 N ATOM 57 CA SER A 4 1.077 -0.202 0.429 1.00 0.14 C ATOM 58 C SER A 4 1.760 1.152 0.377 1.00 0.14 C ATOM 59 O SER A 4 1.180 2.171 0.730 1.00 0.18 O ATOM 60 CB SER A 4 -0.288 -0.099 -0.263 1.00 0.17 C ATOM 61 OG SER A 4 -1.057 -1.271 -0.110 1.00 0.29 O ATOM 62 H SER A 4 1.762 -1.257 2.124 1.00 0.22 H ATOM 63 HA SER A 4 1.687 -0.913 -0.131 1.00 0.13 H ATOM 64 HB2 SER A 4 -0.847 0.755 0.125 1.00 0.23 H ATOM 65 HB3 SER A 4 -0.110 0.071 -1.323 1.00 0.16 H ATOM 66 HG SER A 4 -1.431 -1.209 0.779 1.00 0.49 H ATOM 67 N TYR A 5 2.982 1.188 -0.146 1.00 0.14 N ATOM 68 CA TYR A 5 3.752 2.420 -0.274 1.00 0.19 C ATOM 69 C TYR A 5 3.344 3.237 -1.511 1.00 0.17 C ATOM 70 O TYR A 5 4.128 4.020 -2.038 1.00 0.20 O ATOM 71 CB TYR A 5 5.232 2.042 -0.297 1.00 0.23 C ATOM 72 CG TYR A 5 6.057 2.682 0.788 1.00 0.31 C ATOM 73 CD1 TYR A 5 6.267 2.015 2.008 1.00 1.73 C ATOM 74 CD2 TYR A 5 6.637 3.940 0.557 1.00 1.64 C ATOM 75 CE1 TYR A 5 7.079 2.598 2.995 1.00 1.75 C ATOM 76 CE2 TYR A 5 7.450 4.527 1.539 1.00 1.65 C ATOM 77 CZ TYR A 5 7.681 3.857 2.760 1.00 0.45 C ATOM 78 OH TYR A 5 8.488 4.428 3.698 1.00 0.52 O ATOM 79 H TYR A 5 3.422 0.325 -0.427 1.00 0.13 H ATOM 80 HA TYR A 5 3.575 3.040 0.597 1.00 0.24 H ATOM 81 HB2 TYR A 5 5.338 0.961 -0.238 1.00 0.24 H ATOM 82 HB3 TYR A 5 5.655 2.346 -1.241 1.00 0.23 H ATOM 83 HD1 TYR A 5 5.816 1.050 2.184 1.00 2.98 H ATOM 84 HD2 TYR A 5 6.465 4.453 -0.380 1.00 2.89 H ATOM 85 HE1 TYR A 5 7.235 2.069 3.922 1.00 3.02 H ATOM 86 HE2 TYR A 5 7.900 5.488 1.349 1.00 2.91 H ATOM 87 HH TYR A 5 8.624 3.884 4.476 1.00 1.35 H HETATM 88 N DLE A 6 2.127 3.022 -2.014 1.00 0.13 N HETATM 89 CA DLE A 6 1.656 3.601 -3.270 1.00 0.12 C HETATM 90 CB DLE A 6 0.118 3.625 -3.325 1.00 0.13 C HETATM 91 CG DLE A 6 -0.538 2.336 -3.856 1.00 0.28 C HETATM 92 CD1 DLE A 6 -1.001 2.489 -5.310 1.00 0.46 C HETATM 93 CD2 DLE A 6 -1.776 2.002 -3.023 1.00 0.48 C HETATM 94 C DLE A 6 2.279 2.903 -4.478 1.00 0.10 C HETATM 95 O DLE A 6 2.167 3.379 -5.601 1.00 0.19 O HETATM 96 H DLE A 6 1.531 2.420 -1.481 1.00 0.13 H HETATM 97 HA DLE A 6 1.998 4.628 -3.298 1.00 0.16 H HETATM 98 HB2 DLE A 6 -0.189 4.455 -3.962 1.00 0.26 H HETATM 99 HB3 DLE A 6 -0.255 3.840 -2.322 1.00 0.27 H HETATM 100 HG DLE A 6 0.167 1.508 -3.785 1.00 0.30 H HETATM 101 HD11 DLE A 6 -1.770 3.259 -5.376 1.00 1.44 H HETATM 102 HD12 DLE A 6 -1.409 1.547 -5.674 1.00 1.46 H HETATM 103 HD13 DLE A 6 -0.170 2.776 -5.952 1.00 1.61 H HETATM 104 HD21 DLE A 6 -2.451 2.858 -2.997 1.00 1.46 H HETATM 105 HD22 DLE A 6 -1.486 1.752 -2.005 1.00 1.14 H HETATM 106 HD23 DLE A 6 -2.298 1.155 -3.461 1.00 1.61 H ATOM 107 N LEU A 7 2.936 1.764 -4.249 1.00 0.08 N ATOM 108 CA LEU A 7 3.619 1.017 -5.294 1.00 0.13 C ATOM 109 C LEU A 7 2.677 -0.014 -5.914 1.00 0.16 C ATOM 110 O LEU A 7 2.911 -0.485 -7.022 1.00 0.25 O ATOM 111 CB LEU A 7 4.863 0.306 -4.732 1.00 0.18 C ATOM 112 CG LEU A 7 5.624 1.112 -3.670 1.00 0.21 C ATOM 113 CD1 LEU A 7 6.848 0.327 -3.196 1.00 0.28 C ATOM 114 CD2 LEU A 7 6.079 2.480 -4.185 1.00 0.24 C ATOM 115 H LEU A 7 3.050 1.470 -3.294 1.00 0.10 H ATOM 116 HA LEU A 7 3.935 1.714 -6.070 1.00 0.14 H ATOM 117 HB2 LEU A 7 4.556 -0.638 -4.280 1.00 0.19 H ATOM 118 HB3 LEU A 7 5.534 0.077 -5.562 1.00 0.24 H ATOM 119 HG LEU A 7 4.958 1.242 -2.814 1.00 0.19 H ATOM 120 HD11 LEU A 7 6.538 -0.633 -2.785 1.00 1.44 H ATOM 121 HD12 LEU A 7 7.530 0.161 -4.029 1.00 1.17 H ATOM 122 HD13 LEU A 7 7.367 0.890 -2.420 1.00 1.52 H ATOM 123 HD21 LEU A 7 6.611 3.013 -3.395 1.00 1.49 H ATOM 124 HD22 LEU A 7 6.740 2.360 -5.044 1.00 1.29 H ATOM 125 HD23 LEU A 7 5.223 3.087 -4.476 1.00 1.40 H ATOM 126 N ARG A 8 1.654 -0.435 -5.161 1.00 0.14 N ATOM 127 CA ARG A 8 0.753 -1.511 -5.518 1.00 0.23 C ATOM 128 C ARG A 8 -0.468 -1.448 -4.606 1.00 0.17 C ATOM 129 O ARG A 8 -0.342 -1.145 -3.419 1.00 0.12 O ATOM 130 CB ARG A 8 1.471 -2.859 -5.352 1.00 0.33 C ATOM 131 CG ARG A 8 1.926 -3.094 -3.901 1.00 0.31 C ATOM 132 CD ARG A 8 3.330 -3.702 -3.831 1.00 0.52 C ATOM 133 NE ARG A 8 3.327 -5.158 -4.045 1.00 0.60 N ATOM 134 CZ ARG A 8 4.414 -5.939 -3.965 1.00 1.09 C ATOM 135 NH1 ARG A 8 5.620 -5.390 -3.820 1.00 2.11 N ATOM 136 NH2 ARG A 8 4.292 -7.266 -4.019 1.00 1.09 N ATOM 137 H ARG A 8 1.448 0.004 -4.281 1.00 0.07 H ATOM 138 HA ARG A 8 0.469 -1.369 -6.558 1.00 0.35 H ATOM 139 HB2 ARG A 8 0.800 -3.663 -5.652 1.00 0.38 H ATOM 140 HB3 ARG A 8 2.330 -2.870 -6.019 1.00 0.46 H ATOM 141 HG2 ARG A 8 1.969 -2.148 -3.366 1.00 0.23 H ATOM 142 HG3 ARG A 8 1.197 -3.725 -3.387 1.00 0.33 H ATOM 143 HD2 ARG A 8 3.967 -3.208 -4.568 1.00 0.62 H ATOM 144 HD3 ARG A 8 3.734 -3.494 -2.840 1.00 0.62 H ATOM 145 HE ARG A 8 2.420 -5.576 -4.199 1.00 1.19 H ATOM 146 HH11 ARG A 8 5.717 -4.387 -3.813 1.00 2.20 H ATOM 147 HH12 ARG A 8 6.461 -5.945 -3.755 1.00 2.86 H ATOM 148 HH21 ARG A 8 3.388 -7.704 -4.120 1.00 0.93 H ATOM 149 HH22 ARG A 8 5.094 -7.873 -3.950 1.00 1.70 H ATOM 150 N PRO A 9 -1.652 -1.771 -5.116 1.00 0.27 N ATOM 151 CA PRO A 9 -2.871 -1.816 -4.332 1.00 0.32 C ATOM 152 C PRO A 9 -2.863 -3.070 -3.457 1.00 0.30 C ATOM 153 O PRO A 9 -3.505 -4.064 -3.784 1.00 0.51 O ATOM 154 CB PRO A 9 -3.979 -1.842 -5.383 1.00 0.46 C ATOM 155 CG PRO A 9 -3.330 -2.659 -6.499 1.00 0.47 C ATOM 156 CD PRO A 9 -1.895 -2.146 -6.492 1.00 0.39 C ATOM 157 HA PRO A 9 -2.978 -0.931 -3.708 1.00 0.36 H ATOM 158 HB2 PRO A 9 -4.894 -2.299 -5.013 1.00 0.51 H ATOM 159 HB3 PRO A 9 -4.158 -0.827 -5.735 1.00 0.52 H ATOM 160 HG2 PRO A 9 -3.324 -3.709 -6.212 1.00 0.45 H ATOM 161 HG3 PRO A 9 -3.817 -2.507 -7.460 1.00 0.58 H ATOM 162 HD2 PRO A 9 -1.208 -2.926 -6.817 1.00 0.41 H ATOM 163 HD3 PRO A 9 -1.800 -1.262 -7.123 1.00 0.44 H TER 164 PRO A 9 HETATM 165 N NEH A 10 -2.121 -3.035 -2.350 1.00 0.23 N HETATM 166 CA NEH A 10 -1.934 -4.197 -1.492 1.00 0.31 C HETATM 167 CB NEH A 10 -3.128 -4.361 -0.546 1.00 2.25 C HETATM 168 H NEH A 10 -1.574 -2.192 -2.172 1.00 0.27 H HETATM 169 HA2 NEH A 10 -1.829 -5.094 -2.104 1.00 1.76 H HETATM 170 HA3 NEH A 10 -1.024 -4.065 -0.910 1.00 1.76 H HETATM 171 HB1 NEH A 10 -4.058 -4.344 -1.116 1.00 3.26 H HETATM 172 HB2 NEH A 10 -3.059 -5.321 -0.035 1.00 2.49 H HETATM 173 HB3 NEH A 10 -3.141 -3.552 0.185 1.00 3.51 H