HETATM 1 N PCA A 1 -5.290 1.525 9.137 1.00 0.79 N HETATM 2 CA PCA A 1 -4.123 1.436 8.279 1.00 0.27 C HETATM 3 CB PCA A 1 -2.982 2.120 9.056 1.00 0.92 C HETATM 4 CG PCA A 1 -3.540 2.315 10.472 1.00 1.26 C HETATM 5 CD PCA A 1 -5.023 2.039 10.329 1.00 1.10 C HETATM 6 OE PCA A 1 -5.845 2.253 11.215 1.00 1.70 O HETATM 7 C PCA A 1 -3.812 -0.020 7.933 1.00 0.22 C HETATM 8 O PCA A 1 -4.312 -0.941 8.573 1.00 0.47 O HETATM 9 H PCA A 1 -6.193 1.156 8.880 1.00 1.35 H HETATM 10 HA PCA A 1 -4.314 1.986 7.357 1.00 0.81 H HETATM 11 HB2 PCA A 1 -2.778 3.094 8.609 1.00 1.17 H HETATM 12 HB3 PCA A 1 -2.075 1.515 9.070 1.00 1.36 H HETATM 13 HG2 PCA A 1 -3.363 3.331 10.825 1.00 1.47 H HETATM 14 HG3 PCA A 1 -3.101 1.588 11.154 1.00 1.80 H ATOM 15 N HIS A 2 -3.003 -0.224 6.895 1.00 0.15 N ATOM 16 CA HIS A 2 -2.595 -1.537 6.436 1.00 0.13 C ATOM 17 C HIS A 2 -1.133 -1.424 6.016 1.00 0.12 C ATOM 18 O HIS A 2 -0.245 -1.636 6.834 1.00 0.15 O ATOM 19 CB HIS A 2 -3.553 -2.053 5.343 1.00 0.17 C ATOM 20 CG HIS A 2 -4.039 -1.021 4.347 1.00 0.20 C ATOM 21 ND1 HIS A 2 -4.963 -0.033 4.606 1.00 0.23 N ATOM 22 CD2 HIS A 2 -3.684 -0.918 3.026 1.00 0.21 C ATOM 23 CE1 HIS A 2 -5.136 0.668 3.471 1.00 0.27 C ATOM 24 NE2 HIS A 2 -4.377 0.165 2.485 1.00 0.25 N ATOM 25 H HIS A 2 -2.617 0.551 6.380 1.00 0.34 H ATOM 26 HA HIS A 2 -2.627 -2.245 7.264 1.00 0.14 H ATOM 27 HB2 HIS A 2 -3.087 -2.884 4.814 1.00 0.20 H ATOM 28 HB3 HIS A 2 -4.435 -2.454 5.842 1.00 0.20 H ATOM 29 HD1 HIS A 2 -5.453 0.113 5.476 1.00 0.25 H ATOM 30 HD2 HIS A 2 -2.985 -1.547 2.496 1.00 0.22 H ATOM 31 HE1 HIS A 2 -5.801 1.514 3.359 1.00 0.32 H ATOM 32 N TRP A 3 -0.881 -1.054 4.762 1.00 0.10 N ATOM 33 CA TRP A 3 0.434 -0.867 4.169 1.00 0.12 C ATOM 34 C TRP A 3 0.193 -0.340 2.747 1.00 0.12 C ATOM 35 O TRP A 3 -0.874 0.203 2.476 1.00 0.20 O ATOM 36 CB TRP A 3 1.237 -2.179 4.180 1.00 0.17 C ATOM 37 CG TRP A 3 0.832 -3.190 3.162 1.00 0.19 C ATOM 38 CD1 TRP A 3 -0.429 -3.606 2.929 1.00 0.20 C ATOM 39 CD2 TRP A 3 1.667 -3.851 2.171 1.00 0.26 C ATOM 40 NE1 TRP A 3 -0.430 -4.501 1.877 1.00 0.25 N ATOM 41 CE2 TRP A 3 0.841 -4.684 1.366 1.00 0.29 C ATOM 42 CE3 TRP A 3 3.041 -3.803 1.868 1.00 0.31 C ATOM 43 CZ2 TRP A 3 1.363 -5.454 0.315 1.00 0.37 C ATOM 44 CZ3 TRP A 3 3.578 -4.575 0.820 1.00 0.39 C ATOM 45 CH2 TRP A 3 2.742 -5.401 0.047 1.00 0.41 C ATOM 46 H TRP A 3 -1.648 -0.762 4.174 1.00 0.12 H ATOM 47 HA TRP A 3 0.991 -0.126 4.740 1.00 0.17 H ATOM 48 HB2 TRP A 3 2.284 -1.927 4.012 1.00 0.21 H ATOM 49 HB3 TRP A 3 1.198 -2.647 5.162 1.00 0.19 H ATOM 50 HD1 TRP A 3 -1.284 -3.254 3.489 1.00 0.18 H ATOM 51 HE1 TRP A 3 -1.271 -4.927 1.511 1.00 0.28 H ATOM 52 HE3 TRP A 3 3.679 -3.173 2.473 1.00 0.31 H ATOM 53 HZ2 TRP A 3 0.717 -6.087 -0.272 1.00 0.40 H ATOM 54 HZ3 TRP A 3 4.639 -4.543 0.619 1.00 0.44 H ATOM 55 HH2 TRP A 3 3.163 -6.002 -0.746 1.00 0.49 H ATOM 56 N SER A 4 1.146 -0.557 1.841 1.00 0.13 N ATOM 57 CA SER A 4 1.175 -0.151 0.440 1.00 0.10 C ATOM 58 C SER A 4 1.903 1.177 0.340 1.00 0.10 C ATOM 59 O SER A 4 1.371 2.221 0.696 1.00 0.15 O ATOM 60 CB SER A 4 -0.204 -0.009 -0.219 1.00 0.17 C ATOM 61 OG SER A 4 -0.996 -1.162 -0.042 1.00 0.31 O ATOM 62 H SER A 4 1.904 -1.142 2.148 1.00 0.19 H ATOM 63 HA SER A 4 1.745 -0.893 -0.120 1.00 0.09 H ATOM 64 HB2 SER A 4 -0.729 0.860 0.179 1.00 0.26 H ATOM 65 HB3 SER A 4 -0.049 0.152 -1.283 1.00 0.13 H ATOM 66 HG SER A 4 -1.399 -1.052 0.830 1.00 0.54 H ATOM 67 N TYR A 5 3.107 1.159 -0.225 1.00 0.10 N ATOM 68 CA TYR A 5 3.911 2.363 -0.390 1.00 0.13 C ATOM 69 C TYR A 5 3.490 3.188 -1.615 1.00 0.12 C ATOM 70 O TYR A 5 4.276 3.955 -2.161 1.00 0.15 O ATOM 71 CB TYR A 5 5.378 1.940 -0.453 1.00 0.16 C ATOM 72 CG TYR A 5 6.241 2.572 0.606 1.00 0.20 C ATOM 73 CD1 TYR A 5 6.930 3.762 0.317 1.00 1.94 C ATOM 74 CD2 TYR A 5 6.350 1.977 1.875 1.00 1.83 C ATOM 75 CE1 TYR A 5 7.745 4.357 1.292 1.00 1.97 C ATOM 76 CE2 TYR A 5 7.161 2.570 2.856 1.00 1.82 C ATOM 77 CZ TYR A 5 7.866 3.761 2.570 1.00 0.33 C ATOM 78 OH TYR A 5 8.651 4.323 3.532 1.00 0.41 O ATOM 79 H TYR A 5 3.508 0.278 -0.508 1.00 0.10 H ATOM 80 HA TYR A 5 3.784 2.993 0.480 1.00 0.16 H ATOM 81 HB2 TYR A 5 5.454 0.857 -0.379 1.00 0.15 H ATOM 82 HB3 TYR A 5 5.779 2.218 -1.415 1.00 0.17 H ATOM 83 HD1 TYR A 5 6.831 4.221 -0.658 1.00 3.36 H ATOM 84 HD2 TYR A 5 5.814 1.068 2.099 1.00 3.27 H ATOM 85 HE1 TYR A 5 8.265 5.268 1.043 1.00 3.42 H ATOM 86 HE2 TYR A 5 7.247 2.115 3.830 1.00 3.25 H ATOM 87 HH TYR A 5 9.080 5.134 3.253 1.00 1.33 H HETATM 88 N DLE A 6 2.256 3.000 -2.085 1.00 0.10 N HETATM 89 CA DLE A 6 1.761 3.594 -3.323 1.00 0.10 C HETATM 90 CB DLE A 6 0.223 3.672 -3.322 1.00 0.11 C HETATM 91 CG DLE A 6 -0.500 2.417 -3.842 1.00 0.28 C HETATM 92 CD1 DLE A 6 -0.993 2.597 -5.283 1.00 0.48 C HETATM 93 CD2 DLE A 6 -1.730 2.134 -2.977 1.00 0.45 C HETATM 94 C DLE A 6 2.321 2.879 -4.551 1.00 0.10 C HETATM 95 O DLE A 6 2.184 3.359 -5.669 1.00 0.18 O HETATM 96 H DLE A 6 1.660 2.409 -1.538 1.00 0.10 H HETATM 97 HA DLE A 6 2.138 4.608 -3.364 1.00 0.13 H HETATM 98 HB2 DLE A 6 -0.076 4.523 -3.937 1.00 0.28 H HETATM 99 HB3 DLE A 6 -0.105 3.889 -2.304 1.00 0.23 H HETATM 100 HG DLE A 6 0.170 1.558 -3.791 1.00 0.31 H HETATM 101 HD11 DLE A 6 -1.684 3.439 -5.338 1.00 1.50 H HETATM 102 HD12 DLE A 6 -1.507 1.697 -5.618 1.00 1.36 H HETATM 103 HD13 DLE A 6 -0.160 2.786 -5.956 1.00 1.62 H HETATM 104 HD21 DLE A 6 -2.346 3.030 -2.899 1.00 1.49 H HETATM 105 HD22 DLE A 6 -1.424 1.828 -1.979 1.00 1.16 H HETATM 106 HD23 DLE A 6 -2.323 1.338 -3.423 1.00 1.52 H ATOM 107 N LEU A 7 2.954 1.722 -4.343 1.00 0.08 N ATOM 108 CA LEU A 7 3.578 0.959 -5.412 1.00 0.10 C ATOM 109 C LEU A 7 2.588 -0.054 -5.989 1.00 0.13 C ATOM 110 O LEU A 7 2.782 -0.553 -7.092 1.00 0.20 O ATOM 111 CB LEU A 7 4.835 0.230 -4.904 1.00 0.14 C ATOM 112 CG LEU A 7 5.633 0.994 -3.836 1.00 0.14 C ATOM 113 CD1 LEU A 7 6.867 0.185 -3.431 1.00 0.19 C ATOM 114 CD2 LEU A 7 6.091 2.375 -4.316 1.00 0.16 C ATOM 115 H LEU A 7 3.092 1.425 -3.392 1.00 0.09 H ATOM 116 HA LEU A 7 3.873 1.649 -6.202 1.00 0.12 H ATOM 117 HB2 LEU A 7 4.535 -0.726 -4.474 1.00 0.17 H ATOM 118 HB3 LEU A 7 5.482 0.024 -5.758 1.00 0.19 H ATOM 119 HG LEU A 7 4.997 1.100 -2.953 1.00 0.13 H ATOM 120 HD11 LEU A 7 6.580 -0.833 -3.171 1.00 1.28 H ATOM 121 HD12 LEU A 7 7.583 0.159 -4.253 1.00 1.33 H ATOM 122 HD13 LEU A 7 7.342 0.648 -2.566 1.00 1.33 H ATOM 123 HD21 LEU A 7 5.233 3.010 -4.535 1.00 1.62 H ATOM 124 HD22 LEU A 7 6.676 2.863 -3.536 1.00 1.58 H ATOM 125 HD23 LEU A 7 6.701 2.281 -5.214 1.00 1.59 H ATOM 126 N ARG A 8 1.570 -0.430 -5.206 1.00 0.10 N ATOM 127 CA ARG A 8 0.617 -1.476 -5.520 1.00 0.16 C ATOM 128 C ARG A 8 -0.541 -1.395 -4.530 1.00 0.10 C ATOM 129 O ARG A 8 -0.325 -1.085 -3.357 1.00 0.10 O ATOM 130 CB ARG A 8 1.297 -2.846 -5.409 1.00 0.25 C ATOM 131 CG ARG A 8 1.846 -3.106 -3.996 1.00 0.26 C ATOM 132 CD ARG A 8 3.230 -3.758 -4.052 1.00 0.40 C ATOM 133 NE ARG A 8 3.152 -5.192 -4.377 1.00 0.48 N ATOM 134 CZ ARG A 8 4.114 -5.929 -4.952 1.00 0.87 C ATOM 135 NH1 ARG A 8 5.232 -5.359 -5.402 1.00 1.94 N ATOM 136 NH2 ARG A 8 3.955 -7.249 -5.072 1.00 0.86 N ATOM 137 H ARG A 8 1.407 0.025 -4.324 1.00 0.07 H ATOM 138 HA ARG A 8 0.269 -1.317 -6.540 1.00 0.25 H ATOM 139 HB2 ARG A 8 0.581 -3.626 -5.663 1.00 0.28 H ATOM 140 HB3 ARG A 8 2.106 -2.883 -6.137 1.00 0.34 H ATOM 141 HG2 ARG A 8 1.958 -2.168 -3.455 1.00 0.19 H ATOM 142 HG3 ARG A 8 1.140 -3.724 -3.439 1.00 0.31 H ATOM 143 HD2 ARG A 8 3.831 -3.215 -4.784 1.00 0.48 H ATOM 144 HD3 ARG A 8 3.702 -3.641 -3.076 1.00 0.51 H ATOM 145 HE ARG A 8 2.305 -5.650 -4.070 1.00 1.24 H ATOM 146 HH11 ARG A 8 5.355 -4.361 -5.331 1.00 2.07 H ATOM 147 HH12 ARG A 8 5.967 -5.891 -5.843 1.00 2.70 H ATOM 148 HH21 ARG A 8 3.124 -7.710 -4.730 1.00 0.80 H ATOM 149 HH22 ARG A 8 4.664 -7.832 -5.493 1.00 1.48 H ATOM 150 N PRO A 9 -1.761 -1.714 -4.948 1.00 0.16 N ATOM 151 CA PRO A 9 -2.938 -1.687 -4.097 1.00 0.20 C ATOM 152 C PRO A 9 -2.969 -2.923 -3.194 1.00 0.20 C ATOM 153 O PRO A 9 -3.831 -3.784 -3.352 1.00 0.33 O ATOM 154 CB PRO A 9 -4.095 -1.660 -5.095 1.00 0.28 C ATOM 155 CG PRO A 9 -3.561 -2.526 -6.233 1.00 0.29 C ATOM 156 CD PRO A 9 -2.100 -2.093 -6.304 1.00 0.26 C ATOM 157 HA PRO A 9 -2.962 -0.789 -3.482 1.00 0.24 H ATOM 158 HB2 PRO A 9 -5.023 -2.048 -4.677 1.00 0.32 H ATOM 159 HB3 PRO A 9 -4.227 -0.638 -5.451 1.00 0.35 H ATOM 160 HG2 PRO A 9 -3.609 -3.575 -5.943 1.00 0.27 H ATOM 161 HG3 PRO A 9 -4.086 -2.346 -7.171 1.00 0.37 H ATOM 162 HD2 PRO A 9 -1.473 -2.913 -6.655 1.00 0.29 H ATOM 163 HD3 PRO A 9 -1.991 -1.223 -6.952 1.00 0.32 H TER 164 PRO A 9 HETATM 165 N NEH A 10 -2.017 -3.028 -2.263 1.00 0.22 N HETATM 166 CA NEH A 10 -1.939 -4.120 -1.302 1.00 0.31 C HETATM 167 CB NEH A 10 -1.556 -5.439 -1.985 1.00 1.23 C HETATM 168 H NEH A 10 -1.393 -2.229 -2.135 1.00 0.23 H HETATM 169 HA2 NEH A 10 -1.179 -3.878 -0.564 1.00 1.01 H HETATM 170 HA3 NEH A 10 -2.899 -4.235 -0.796 1.00 1.03 H HETATM 171 HB1 NEH A 10 -0.608 -5.334 -2.510 1.00 2.14 H HETATM 172 HB2 NEH A 10 -1.472 -6.225 -1.234 1.00 1.68 H HETATM 173 HB3 NEH A 10 -2.330 -5.733 -2.695 1.00 2.01 H