HETATM 1 N PCA A 1 -5.295 1.469 9.163 1.00 0.82 N HETATM 2 CA PCA A 1 -4.151 1.403 8.273 1.00 0.29 C HETATM 3 CB PCA A 1 -3.001 2.103 9.023 1.00 0.93 C HETATM 4 CG PCA A 1 -3.529 2.308 10.448 1.00 1.26 C HETATM 5 CD PCA A 1 -5.005 1.975 10.354 1.00 1.12 C HETATM 6 OE PCA A 1 -5.803 2.142 11.271 1.00 1.76 O HETATM 7 C PCA A 1 -3.829 -0.048 7.916 1.00 0.24 C HETATM 8 O PCA A 1 -4.327 -0.975 8.548 1.00 0.48 O HETATM 9 H PCA A 1 -6.193 1.070 8.934 1.00 1.41 H HETATM 10 HA PCA A 1 -4.375 1.954 7.359 1.00 0.86 H HETATM 11 HB2 PCA A 1 -2.808 3.074 8.564 1.00 1.19 H HETATM 12 HB3 PCA A 1 -2.090 1.503 9.026 1.00 1.37 H HETATM 13 HG2 PCA A 1 -3.384 3.339 10.775 1.00 1.47 H HETATM 14 HG3 PCA A 1 -3.044 1.616 11.137 1.00 1.84 H ATOM 15 N HIS A 2 -3.011 -0.246 6.883 1.00 0.15 N ATOM 16 CA HIS A 2 -2.570 -1.555 6.445 1.00 0.13 C ATOM 17 C HIS A 2 -1.112 -1.414 6.020 1.00 0.12 C ATOM 18 O HIS A 2 -0.218 -1.590 6.841 1.00 0.18 O ATOM 19 CB HIS A 2 -3.516 -2.121 5.367 1.00 0.20 C ATOM 20 CG HIS A 2 -4.017 -1.130 4.337 1.00 0.24 C ATOM 21 ND1 HIS A 2 -4.961 -0.151 4.561 1.00 0.28 N ATOM 22 CD2 HIS A 2 -3.657 -1.061 3.016 1.00 0.28 C ATOM 23 CE1 HIS A 2 -5.141 0.510 3.404 1.00 0.34 C ATOM 24 NE2 HIS A 2 -4.369 -0.009 2.438 1.00 0.34 N ATOM 25 H HIS A 2 -2.626 0.532 6.369 1.00 0.34 H ATOM 26 HA HIS A 2 -2.581 -2.249 7.286 1.00 0.16 H ATOM 27 HB2 HIS A 2 -3.035 -2.960 4.865 1.00 0.23 H ATOM 28 HB3 HIS A 2 -4.394 -2.520 5.878 1.00 0.23 H ATOM 29 HD1 HIS A 2 -5.455 0.015 5.426 1.00 0.28 H ATOM 30 HD2 HIS A 2 -2.939 -1.690 2.510 1.00 0.29 H ATOM 31 HE1 HIS A 2 -5.821 1.339 3.264 1.00 0.40 H ATOM 32 N TRP A 3 -0.871 -1.061 4.759 1.00 0.11 N ATOM 33 CA TRP A 3 0.439 -0.852 4.161 1.00 0.13 C ATOM 34 C TRP A 3 0.189 -0.359 2.727 1.00 0.12 C ATOM 35 O TRP A 3 -0.902 0.122 2.433 1.00 0.23 O ATOM 36 CB TRP A 3 1.275 -2.143 4.194 1.00 0.20 C ATOM 37 CG TRP A 3 0.897 -3.170 3.181 1.00 0.23 C ATOM 38 CD1 TRP A 3 -0.355 -3.615 2.953 1.00 0.23 C ATOM 39 CD2 TRP A 3 1.744 -3.811 2.189 1.00 0.30 C ATOM 40 NE1 TRP A 3 -0.339 -4.508 1.898 1.00 0.30 N ATOM 41 CE2 TRP A 3 0.935 -4.661 1.383 1.00 0.33 C ATOM 42 CE3 TRP A 3 3.117 -3.734 1.884 1.00 0.36 C ATOM 43 CZ2 TRP A 3 1.472 -5.417 0.329 1.00 0.42 C ATOM 44 CZ3 TRP A 3 3.668 -4.491 0.833 1.00 0.45 C ATOM 45 CH2 TRP A 3 2.848 -5.334 0.059 1.00 0.47 C ATOM 46 H TRP A 3 -1.644 -0.800 4.166 1.00 0.13 H ATOM 47 HA TRP A 3 0.977 -0.088 4.719 1.00 0.19 H ATOM 48 HB2 TRP A 3 2.316 -1.871 4.030 1.00 0.25 H ATOM 49 HB3 TRP A 3 1.238 -2.603 5.180 1.00 0.22 H ATOM 50 HD1 TRP A 3 -1.213 -3.277 3.517 1.00 0.22 H ATOM 51 HE1 TRP A 3 -1.170 -4.957 1.538 1.00 0.33 H ATOM 52 HE3 TRP A 3 3.742 -3.091 2.487 1.00 0.36 H ATOM 53 HZ2 TRP A 3 0.835 -6.064 -0.256 1.00 0.45 H ATOM 54 HZ3 TRP A 3 4.728 -4.436 0.631 1.00 0.51 H ATOM 55 HH2 TRP A 3 3.283 -5.925 -0.733 1.00 0.56 H ATOM 56 N SER A 4 1.166 -0.535 1.839 1.00 0.14 N ATOM 57 CA SER A 4 1.210 -0.134 0.435 1.00 0.11 C ATOM 58 C SER A 4 1.921 1.204 0.335 1.00 0.12 C ATOM 59 O SER A 4 1.371 2.242 0.678 1.00 0.16 O ATOM 60 CB SER A 4 -0.161 -0.020 -0.247 1.00 0.17 C ATOM 61 OG SER A 4 -0.911 -1.209 -0.121 1.00 0.26 O ATOM 62 H SER A 4 1.936 -1.089 2.170 1.00 0.22 H ATOM 63 HA SER A 4 1.803 -0.868 -0.112 1.00 0.10 H ATOM 64 HB2 SER A 4 -0.725 0.818 0.168 1.00 0.24 H ATOM 65 HB3 SER A 4 0.004 0.182 -1.302 1.00 0.16 H ATOM 66 HG SER A 4 -1.309 -1.160 0.758 1.00 0.46 H ATOM 67 N TYR A 5 3.130 1.197 -0.221 1.00 0.11 N ATOM 68 CA TYR A 5 3.924 2.406 -0.402 1.00 0.14 C ATOM 69 C TYR A 5 3.483 3.222 -1.628 1.00 0.13 C ATOM 70 O TYR A 5 4.255 4.006 -2.170 1.00 0.15 O ATOM 71 CB TYR A 5 5.395 1.994 -0.487 1.00 0.17 C ATOM 72 CG TYR A 5 6.281 2.608 0.568 1.00 0.23 C ATOM 73 CD1 TYR A 5 6.940 1.797 1.509 1.00 1.64 C ATOM 74 CD2 TYR A 5 6.474 4.000 0.574 1.00 1.68 C ATOM 75 CE1 TYR A 5 7.798 2.379 2.456 1.00 1.65 C ATOM 76 CE2 TYR A 5 7.327 4.589 1.520 1.00 1.71 C ATOM 77 CZ TYR A 5 7.998 3.777 2.466 1.00 0.38 C ATOM 78 OH TYR A 5 8.844 4.326 3.383 1.00 0.46 O ATOM 79 H TYR A 5 3.543 0.317 -0.487 1.00 0.11 H ATOM 80 HA TYR A 5 3.801 3.038 0.467 1.00 0.17 H ATOM 81 HB2 TYR A 5 5.476 0.909 -0.451 1.00 0.17 H ATOM 82 HB3 TYR A 5 5.787 2.306 -1.442 1.00 0.17 H ATOM 83 HD1 TYR A 5 6.802 0.725 1.501 1.00 2.90 H ATOM 84 HD2 TYR A 5 5.973 4.618 -0.160 1.00 2.92 H ATOM 85 HE1 TYR A 5 8.312 1.758 3.172 1.00 2.90 H ATOM 86 HE2 TYR A 5 7.460 5.658 1.499 1.00 2.97 H ATOM 87 HH TYR A 5 8.943 5.276 3.297 1.00 1.38 H HETATM 88 N DLE A 6 2.255 3.012 -2.104 1.00 0.11 N HETATM 89 CA DLE A 6 1.767 3.598 -3.351 1.00 0.11 C HETATM 90 CB DLE A 6 0.230 3.675 -3.363 1.00 0.13 C HETATM 91 CG DLE A 6 -0.484 2.400 -3.849 1.00 0.28 C HETATM 92 CD1 DLE A 6 -0.982 2.538 -5.292 1.00 0.47 C HETATM 93 CD2 DLE A 6 -1.708 2.132 -2.972 1.00 0.44 C HETATM 94 C DLE A 6 2.330 2.869 -4.569 1.00 0.11 C HETATM 95 O DLE A 6 2.193 3.336 -5.694 1.00 0.19 O HETATM 96 H DLE A 6 1.662 2.411 -1.564 1.00 0.11 H HETATM 97 HA DLE A 6 2.144 4.610 -3.398 1.00 0.14 H HETATM 98 HB2 DLE A 6 -0.066 4.503 -4.008 1.00 0.26 H HETATM 99 HB3 DLE A 6 -0.106 3.923 -2.355 1.00 0.22 H HETATM 100 HG DLE A 6 0.194 1.548 -3.780 1.00 0.30 H HETATM 101 HD11 DLE A 6 -1.722 3.338 -5.356 1.00 1.46 H HETATM 102 HD12 DLE A 6 -1.440 1.606 -5.620 1.00 1.41 H HETATM 103 HD13 DLE A 6 -0.160 2.775 -5.964 1.00 1.62 H HETATM 104 HD21 DLE A 6 -2.369 2.999 -2.977 1.00 1.50 H HETATM 105 HD22 DLE A 6 -1.398 1.928 -1.948 1.00 1.18 H HETATM 106 HD23 DLE A 6 -2.252 1.273 -3.354 1.00 1.50 H ATOM 107 N LEU A 7 2.964 1.717 -4.348 1.00 0.09 N ATOM 108 CA LEU A 7 3.589 0.940 -5.405 1.00 0.11 C ATOM 109 C LEU A 7 2.597 -0.069 -5.982 1.00 0.14 C ATOM 110 O LEU A 7 2.791 -0.571 -7.085 1.00 0.21 O ATOM 111 CB LEU A 7 4.827 0.199 -4.871 1.00 0.13 C ATOM 112 CG LEU A 7 5.654 1.005 -3.857 1.00 0.15 C ATOM 113 CD1 LEU A 7 6.875 0.194 -3.423 1.00 0.18 C ATOM 114 CD2 LEU A 7 6.125 2.350 -4.417 1.00 0.20 C ATOM 115 H LEU A 7 3.103 1.429 -3.393 1.00 0.09 H ATOM 116 HA LEU A 7 3.903 1.619 -6.198 1.00 0.13 H ATOM 117 HB2 LEU A 7 4.504 -0.720 -4.382 1.00 0.13 H ATOM 118 HB3 LEU A 7 5.458 -0.074 -5.718 1.00 0.17 H ATOM 119 HG LEU A 7 5.030 1.173 -2.976 1.00 0.15 H ATOM 120 HD11 LEU A 7 7.532 0.024 -4.276 1.00 1.31 H ATOM 121 HD12 LEU A 7 7.426 0.740 -2.656 1.00 1.17 H ATOM 122 HD13 LEU A 7 6.560 -0.766 -3.012 1.00 1.24 H ATOM 123 HD21 LEU A 7 6.728 2.197 -5.310 1.00 1.59 H ATOM 124 HD22 LEU A 7 5.272 2.982 -4.666 1.00 1.47 H ATOM 125 HD23 LEU A 7 6.719 2.873 -3.667 1.00 1.43 H ATOM 126 N ARG A 8 1.581 -0.442 -5.198 1.00 0.11 N ATOM 127 CA ARG A 8 0.652 -1.514 -5.496 1.00 0.18 C ATOM 128 C ARG A 8 -0.519 -1.428 -4.522 1.00 0.12 C ATOM 129 O ARG A 8 -0.323 -1.104 -3.350 1.00 0.10 O ATOM 130 CB ARG A 8 1.363 -2.864 -5.339 1.00 0.29 C ATOM 131 CG ARG A 8 1.867 -3.081 -3.902 1.00 0.30 C ATOM 132 CD ARG A 8 3.237 -3.762 -3.887 1.00 0.47 C ATOM 133 NE ARG A 8 3.143 -5.203 -4.177 1.00 0.52 N ATOM 134 CZ ARG A 8 4.091 -5.965 -4.743 1.00 0.77 C ATOM 135 NH1 ARG A 8 5.210 -5.419 -5.221 1.00 1.86 N ATOM 136 NH2 ARG A 8 3.922 -7.286 -4.821 1.00 0.74 N ATOM 137 H ARG A 8 1.412 0.020 -4.322 1.00 0.07 H ATOM 138 HA ARG A 8 0.315 -1.384 -6.522 1.00 0.29 H ATOM 139 HB2 ARG A 8 0.679 -3.667 -5.606 1.00 0.33 H ATOM 140 HB3 ARG A 8 2.201 -2.889 -6.034 1.00 0.40 H ATOM 141 HG2 ARG A 8 1.986 -2.126 -3.396 1.00 0.23 H ATOM 142 HG3 ARG A 8 1.130 -3.662 -3.341 1.00 0.37 H ATOM 143 HD2 ARG A 8 3.876 -3.249 -4.605 1.00 0.58 H ATOM 144 HD3 ARG A 8 3.671 -3.631 -2.895 1.00 0.60 H ATOM 145 HE ARG A 8 2.296 -5.645 -3.851 1.00 1.31 H ATOM 146 HH11 ARG A 8 5.342 -4.421 -5.184 1.00 2.01 H ATOM 147 HH12 ARG A 8 5.935 -5.971 -5.654 1.00 2.61 H ATOM 148 HH21 ARG A 8 3.092 -7.730 -4.455 1.00 0.79 H ATOM 149 HH22 ARG A 8 4.620 -7.887 -5.232 1.00 1.34 H ATOM 150 N PRO A 9 -1.734 -1.754 -4.955 1.00 0.18 N ATOM 151 CA PRO A 9 -2.925 -1.679 -4.126 1.00 0.20 C ATOM 152 C PRO A 9 -3.008 -2.883 -3.183 1.00 0.23 C ATOM 153 O PRO A 9 -3.918 -3.698 -3.312 1.00 0.41 O ATOM 154 CB PRO A 9 -4.062 -1.656 -5.149 1.00 0.29 C ATOM 155 CG PRO A 9 -3.523 -2.567 -6.251 1.00 0.30 C ATOM 156 CD PRO A 9 -2.057 -2.151 -6.309 1.00 0.28 C ATOM 157 HA PRO A 9 -2.944 -0.763 -3.539 1.00 0.26 H ATOM 158 HB2 PRO A 9 -5.008 -2.012 -4.741 1.00 0.33 H ATOM 159 HB3 PRO A 9 -4.165 -0.645 -5.538 1.00 0.38 H ATOM 160 HG2 PRO A 9 -3.589 -3.606 -5.928 1.00 0.28 H ATOM 161 HG3 PRO A 9 -4.032 -2.410 -7.202 1.00 0.39 H ATOM 162 HD2 PRO A 9 -1.433 -2.982 -6.638 1.00 0.32 H ATOM 163 HD3 PRO A 9 -1.933 -1.292 -6.969 1.00 0.36 H TER 164 PRO A 9 HETATM 165 N NEH A 10 -2.064 -3.012 -2.244 1.00 0.22 N HETATM 166 CA NEH A 10 -2.107 -4.052 -1.221 1.00 0.40 C HETATM 167 CB NEH A 10 -1.830 -5.442 -1.807 1.00 1.15 C HETATM 168 H NEH A 10 -1.401 -2.244 -2.121 1.00 0.22 H HETATM 169 HA2 NEH A 10 -1.352 -3.836 -0.467 1.00 1.06 H HETATM 170 HA3 NEH A 10 -3.087 -4.047 -0.742 1.00 1.15 H HETATM 171 HB1 NEH A 10 -2.450 -5.620 -2.687 1.00 2.00 H HETATM 172 HB2 NEH A 10 -0.781 -5.537 -2.083 1.00 2.03 H HETATM 173 HB3 NEH A 10 -2.080 -6.201 -1.064 1.00 2.16 H