HETATM 1 N PCA A 1 -5.462 1.648 8.694 1.00 0.69 N HETATM 2 CA PCA A 1 -4.060 1.444 8.376 1.00 0.22 C HETATM 3 CB PCA A 1 -3.288 1.812 9.658 1.00 0.80 C HETATM 4 CG PCA A 1 -4.367 1.922 10.743 1.00 1.13 C HETATM 5 CD PCA A 1 -5.670 1.939 9.970 1.00 1.00 C HETATM 6 OE PCA A 1 -6.762 2.184 10.475 1.00 1.48 O HETATM 7 C PCA A 1 -3.819 -0.004 7.955 1.00 0.22 C HETATM 8 O PCA A 1 -4.370 -0.925 8.549 1.00 0.49 O HETATM 9 H PCA A 1 -6.210 1.535 8.028 1.00 1.11 H HETATM 10 HA PCA A 1 -3.767 2.116 7.569 1.00 0.56 H HETATM 11 HB2 PCA A 1 -2.808 2.783 9.524 1.00 0.96 H HETATM 12 HB3 PCA A 1 -2.543 1.059 9.918 1.00 1.14 H HETATM 13 HG2 PCA A 1 -4.244 2.838 11.322 1.00 1.31 H HETATM 14 HG3 PCA A 1 -4.340 1.048 11.395 1.00 1.57 H ATOM 15 N HIS A 2 -3.007 -0.202 6.916 1.00 0.15 N ATOM 16 CA HIS A 2 -2.632 -1.514 6.428 1.00 0.13 C ATOM 17 C HIS A 2 -1.170 -1.423 6.001 1.00 0.12 C ATOM 18 O HIS A 2 -0.285 -1.667 6.813 1.00 0.15 O ATOM 19 CB HIS A 2 -3.607 -1.989 5.330 1.00 0.18 C ATOM 20 CG HIS A 2 -4.060 -0.934 4.343 1.00 0.21 C ATOM 21 ND1 HIS A 2 -4.947 0.085 4.611 1.00 0.25 N ATOM 22 CD2 HIS A 2 -3.709 -0.836 3.022 1.00 0.22 C ATOM 23 CE1 HIS A 2 -5.102 0.798 3.482 1.00 0.29 C ATOM 24 NE2 HIS A 2 -4.368 0.273 2.489 1.00 0.26 N ATOM 25 H HIS A 2 -2.574 0.572 6.438 1.00 0.35 H ATOM 26 HA HIS A 2 -2.678 -2.234 7.246 1.00 0.14 H ATOM 27 HB2 HIS A 2 -3.166 -2.829 4.794 1.00 0.20 H ATOM 28 HB3 HIS A 2 -4.501 -2.367 5.826 1.00 0.22 H ATOM 29 HD1 HIS A 2 -5.422 0.244 5.487 1.00 0.28 H ATOM 30 HD2 HIS A 2 -3.030 -1.484 2.485 1.00 0.22 H ATOM 31 HE1 HIS A 2 -5.737 1.667 3.379 1.00 0.34 H ATOM 32 N TRP A 3 -0.917 -1.037 4.752 1.00 0.11 N ATOM 33 CA TRP A 3 0.397 -0.869 4.148 1.00 0.13 C ATOM 34 C TRP A 3 0.159 -0.356 2.720 1.00 0.13 C ATOM 35 O TRP A 3 -0.907 0.183 2.440 1.00 0.22 O ATOM 36 CB TRP A 3 1.189 -2.186 4.164 1.00 0.17 C ATOM 37 CG TRP A 3 0.766 -3.205 3.161 1.00 0.18 C ATOM 38 CD1 TRP A 3 -0.502 -3.600 2.929 1.00 0.19 C ATOM 39 CD2 TRP A 3 1.596 -3.913 2.202 1.00 0.24 C ATOM 40 NE1 TRP A 3 -0.512 -4.534 1.910 1.00 0.24 N ATOM 41 CE2 TRP A 3 0.762 -4.776 1.435 1.00 0.27 C ATOM 42 CE3 TRP A 3 2.972 -3.898 1.905 1.00 0.29 C ATOM 43 CZ2 TRP A 3 1.284 -5.623 0.446 1.00 0.35 C ATOM 44 CZ3 TRP A 3 3.507 -4.742 0.914 1.00 0.36 C ATOM 45 CH2 TRP A 3 2.666 -5.612 0.197 1.00 0.39 C ATOM 46 H TRP A 3 -1.678 -0.722 4.172 1.00 0.13 H ATOM 47 HA TRP A 3 0.966 -0.129 4.709 1.00 0.17 H ATOM 48 HB2 TRP A 3 2.236 -1.945 3.983 1.00 0.20 H ATOM 49 HB3 TRP A 3 1.160 -2.645 5.151 1.00 0.18 H ATOM 50 HD1 TRP A 3 -1.354 -3.217 3.470 1.00 0.18 H ATOM 51 HE1 TRP A 3 -1.357 -4.962 1.556 1.00 0.27 H ATOM 52 HE3 TRP A 3 3.613 -3.241 2.476 1.00 0.29 H ATOM 53 HZ2 TRP A 3 0.631 -6.281 -0.106 1.00 0.39 H ATOM 54 HZ3 TRP A 3 4.571 -4.738 0.723 1.00 0.40 H ATOM 55 HH2 TRP A 3 3.083 -6.286 -0.533 1.00 0.48 H ATOM 56 N SER A 4 1.116 -0.580 1.819 1.00 0.12 N ATOM 57 CA SER A 4 1.162 -0.176 0.418 1.00 0.09 C ATOM 58 C SER A 4 1.928 1.131 0.320 1.00 0.12 C ATOM 59 O SER A 4 1.428 2.189 0.681 1.00 0.19 O ATOM 60 CB SER A 4 -0.211 -0.013 -0.248 1.00 0.17 C ATOM 61 OG SER A 4 -0.993 -1.184 -0.132 1.00 0.29 O ATOM 62 H SER A 4 1.872 -1.163 2.137 1.00 0.18 H ATOM 63 HA SER A 4 1.718 -0.931 -0.137 1.00 0.11 H ATOM 64 HB2 SER A 4 -0.747 0.837 0.177 1.00 0.25 H ATOM 65 HB3 SER A 4 -0.045 0.196 -1.302 1.00 0.16 H ATOM 66 HG SER A 4 -1.414 -1.112 0.736 1.00 0.52 H ATOM 67 N TYR A 5 3.131 1.075 -0.246 1.00 0.15 N ATOM 68 CA TYR A 5 3.989 2.242 -0.411 1.00 0.23 C ATOM 69 C TYR A 5 3.580 3.114 -1.610 1.00 0.20 C ATOM 70 O TYR A 5 4.387 3.860 -2.153 1.00 0.25 O ATOM 71 CB TYR A 5 5.433 1.747 -0.526 1.00 0.31 C ATOM 72 CG TYR A 5 6.360 2.279 0.537 1.00 0.41 C ATOM 73 CD1 TYR A 5 6.823 1.443 1.568 1.00 1.87 C ATOM 74 CD2 TYR A 5 6.783 3.617 0.465 1.00 1.52 C ATOM 75 CE1 TYR A 5 7.721 1.941 2.528 1.00 1.93 C ATOM 76 CE2 TYR A 5 7.677 4.122 1.422 1.00 1.52 C ATOM 77 CZ TYR A 5 8.154 3.287 2.456 1.00 0.61 C ATOM 78 OH TYR A 5 9.034 3.784 3.371 1.00 0.72 O ATOM 79 H TYR A 5 3.496 0.180 -0.530 1.00 0.16 H ATOM 80 HA TYR A 5 3.916 2.860 0.474 1.00 0.29 H ATOM 81 HB2 TYR A 5 5.451 0.659 -0.516 1.00 0.31 H ATOM 82 HB3 TYR A 5 5.832 2.058 -1.478 1.00 0.31 H ATOM 83 HD1 TYR A 5 6.503 0.413 1.622 1.00 3.09 H ATOM 84 HD2 TYR A 5 6.426 4.256 -0.333 1.00 2.77 H ATOM 85 HE1 TYR A 5 8.072 1.284 3.308 1.00 3.19 H ATOM 86 HE2 TYR A 5 8.003 5.148 1.357 1.00 2.74 H ATOM 87 HH TYR A 5 9.324 3.141 4.019 1.00 1.74 H HETATM 88 N DLE A 6 2.330 2.991 -2.061 1.00 0.15 N HETATM 89 CA DLE A 6 1.834 3.632 -3.277 1.00 0.15 C HETATM 90 CB DLE A 6 0.295 3.746 -3.241 1.00 0.20 C HETATM 91 CG DLE A 6 -0.481 2.622 -3.957 1.00 0.44 C HETATM 92 CD1 DLE A 6 -0.995 3.086 -5.324 1.00 0.82 C HETATM 93 CD2 DLE A 6 -1.700 2.191 -3.138 1.00 0.56 C HETATM 94 C DLE A 6 2.362 2.928 -4.528 1.00 0.13 C HETATM 95 O DLE A 6 2.238 3.440 -5.634 1.00 0.25 O HETATM 96 H DLE A 6 1.717 2.416 -1.516 1.00 0.13 H HETATM 97 HA DLE A 6 2.236 4.640 -3.298 1.00 0.19 H HETATM 98 HB2 DLE A 6 0.016 4.695 -3.699 1.00 0.51 H HETATM 99 HB3 DLE A 6 -0.023 3.800 -2.198 1.00 0.34 H HETATM 100 HG DLE A 6 0.159 1.752 -4.082 1.00 0.56 H HETATM 101 HD11 DLE A 6 -1.747 3.864 -5.193 1.00 1.81 H HETATM 102 HD12 DLE A 6 -1.439 2.247 -5.860 1.00 1.24 H HETATM 103 HD13 DLE A 6 -0.180 3.489 -5.924 1.00 1.97 H HETATM 104 HD21 DLE A 6 -2.296 3.063 -2.867 1.00 1.48 H HETATM 105 HD22 DLE A 6 -1.378 1.687 -2.231 1.00 1.14 H HETATM 106 HD23 DLE A 6 -2.315 1.506 -3.721 1.00 1.64 H ATOM 107 N LEU A 7 2.948 1.740 -4.356 1.00 0.09 N ATOM 108 CA LEU A 7 3.515 0.967 -5.451 1.00 0.15 C ATOM 109 C LEU A 7 2.452 0.049 -6.056 1.00 0.22 C ATOM 110 O LEU A 7 2.561 -0.355 -7.209 1.00 0.34 O ATOM 111 CB LEU A 7 4.716 0.135 -4.965 1.00 0.22 C ATOM 112 CG LEU A 7 5.592 0.838 -3.917 1.00 0.25 C ATOM 113 CD1 LEU A 7 6.773 -0.057 -3.539 1.00 0.35 C ATOM 114 CD2 LEU A 7 6.133 2.187 -4.404 1.00 0.26 C ATOM 115 H LEU A 7 3.083 1.412 -3.414 1.00 0.11 H ATOM 116 HA LEU A 7 3.858 1.658 -6.220 1.00 0.14 H ATOM 117 HB2 LEU A 7 4.348 -0.791 -4.525 1.00 0.26 H ATOM 118 HB3 LEU A 7 5.327 -0.124 -5.831 1.00 0.28 H ATOM 119 HG LEU A 7 4.986 0.990 -3.021 1.00 0.22 H ATOM 120 HD11 LEU A 7 7.438 -0.178 -4.396 1.00 1.30 H ATOM 121 HD12 LEU A 7 7.332 0.397 -2.720 1.00 1.08 H ATOM 122 HD13 LEU A 7 6.415 -1.035 -3.220 1.00 1.51 H ATOM 123 HD21 LEU A 7 6.717 2.053 -5.313 1.00 1.64 H ATOM 124 HD22 LEU A 7 5.316 2.879 -4.604 1.00 1.41 H ATOM 125 HD23 LEU A 7 6.764 2.631 -3.635 1.00 1.47 H ATOM 126 N ARG A 8 1.462 -0.349 -5.250 1.00 0.17 N ATOM 127 CA ARG A 8 0.412 -1.292 -5.594 1.00 0.30 C ATOM 128 C ARG A 8 -0.607 -1.308 -4.456 1.00 0.16 C ATOM 129 O ARG A 8 -0.232 -1.150 -3.292 1.00 0.15 O ATOM 130 CB ARG A 8 0.997 -2.698 -5.772 1.00 0.50 C ATOM 131 CG ARG A 8 1.776 -3.150 -4.526 1.00 0.53 C ATOM 132 CD ARG A 8 3.176 -3.647 -4.899 1.00 0.86 C ATOM 133 NE ARG A 8 3.153 -5.051 -5.335 1.00 1.11 N ATOM 134 CZ ARG A 8 3.327 -6.115 -4.537 1.00 0.85 C ATOM 135 NH1 ARG A 8 3.558 -5.952 -3.235 1.00 2.39 N ATOM 136 NH2 ARG A 8 3.270 -7.348 -5.041 1.00 0.91 N ATOM 137 H ARG A 8 1.388 0.028 -4.319 1.00 0.07 H ATOM 138 HA ARG A 8 -0.053 -0.964 -6.524 1.00 0.47 H ATOM 139 HB2 ARG A 8 0.190 -3.406 -5.961 1.00 0.55 H ATOM 140 HB3 ARG A 8 1.644 -2.702 -6.648 1.00 0.72 H ATOM 141 HG2 ARG A 8 1.894 -2.326 -3.826 1.00 0.41 H ATOM 142 HG3 ARG A 8 1.208 -3.925 -4.012 1.00 0.59 H ATOM 143 HD2 ARG A 8 3.579 -3.017 -5.695 1.00 0.95 H ATOM 144 HD3 ARG A 8 3.838 -3.525 -4.042 1.00 0.96 H ATOM 145 HE ARG A 8 2.992 -5.191 -6.323 1.00 2.40 H ATOM 146 HH11 ARG A 8 3.571 -5.027 -2.834 1.00 2.73 H ATOM 147 HH12 ARG A 8 3.739 -6.736 -2.628 1.00 3.43 H ATOM 148 HH21 ARG A 8 3.090 -7.504 -6.021 1.00 1.69 H ATOM 149 HH22 ARG A 8 3.386 -8.164 -4.457 1.00 1.44 H ATOM 150 N PRO A 9 -1.881 -1.550 -4.747 1.00 0.33 N ATOM 151 CA PRO A 9 -2.927 -1.644 -3.745 1.00 0.43 C ATOM 152 C PRO A 9 -2.852 -3.002 -3.045 1.00 0.30 C ATOM 153 O PRO A 9 -3.700 -3.865 -3.261 1.00 0.36 O ATOM 154 CB PRO A 9 -4.210 -1.483 -4.556 1.00 0.67 C ATOM 155 CG PRO A 9 -3.853 -2.179 -5.868 1.00 0.66 C ATOM 156 CD PRO A 9 -2.409 -1.737 -6.081 1.00 0.56 C ATOM 157 HA PRO A 9 -2.848 -0.842 -3.010 1.00 0.54 H ATOM 158 HB2 PRO A 9 -5.072 -1.934 -4.068 1.00 0.74 H ATOM 159 HB3 PRO A 9 -4.372 -0.423 -4.743 1.00 0.82 H ATOM 160 HG2 PRO A 9 -3.877 -3.258 -5.722 1.00 0.57 H ATOM 161 HG3 PRO A 9 -4.502 -1.873 -6.688 1.00 0.88 H ATOM 162 HD2 PRO A 9 -1.853 -2.500 -6.626 1.00 0.59 H ATOM 163 HD3 PRO A 9 -2.377 -0.786 -6.613 1.00 0.69 H TER 164 PRO A 9 HETATM 165 N NEH A 10 -1.817 -3.208 -2.230 1.00 0.35 N HETATM 166 CA NEH A 10 -1.625 -4.446 -1.485 1.00 0.51 C HETATM 167 CB NEH A 10 -1.150 -5.582 -2.400 1.00 1.58 C HETATM 168 H NEH A 10 -1.219 -2.401 -2.042 1.00 0.35 H HETATM 169 HA2 NEH A 10 -0.877 -4.277 -0.718 1.00 0.99 H HETATM 170 HA3 NEH A 10 -2.562 -4.735 -1.006 1.00 1.06 H HETATM 171 HB1 NEH A 10 -1.067 -6.503 -1.824 1.00 2.20 H HETATM 172 HB2 NEH A 10 -1.873 -5.747 -3.202 1.00 2.38 H HETATM 173 HB3 NEH A 10 -0.180 -5.343 -2.831 1.00 2.88 H