HETATM 1 N PCA A 1 -5.452 1.539 8.510 1.00 0.74 N HETATM 2 CA PCA A 1 -4.014 1.353 8.440 1.00 0.25 C HETATM 3 CB PCA A 1 -3.485 1.710 9.843 1.00 0.92 C HETATM 4 CG PCA A 1 -4.738 1.764 10.726 1.00 1.29 C HETATM 5 CD PCA A 1 -5.884 1.795 9.736 1.00 1.13 C HETATM 6 OE PCA A 1 -7.050 2.024 10.044 1.00 1.67 O HETATM 7 C PCA A 1 -3.695 -0.090 8.051 1.00 0.23 C HETATM 8 O PCA A 1 -4.119 -1.023 8.725 1.00 0.48 O HETATM 9 H PCA A 1 -6.067 1.477 7.714 1.00 1.17 H HETATM 10 HA PCA A 1 -3.587 2.038 7.706 1.00 0.60 H HETATM 11 HB2 PCA A 1 -3.023 2.698 9.811 1.00 1.10 H HETATM 12 HB3 PCA A 1 -2.771 0.973 10.214 1.00 1.28 H HETATM 13 HG2 PCA A 1 -4.737 2.657 11.350 1.00 1.51 H HETATM 14 HG3 PCA A 1 -4.810 0.865 11.339 1.00 1.76 H ATOM 15 N HIS A 2 -2.957 -0.271 6.955 1.00 0.16 N ATOM 16 CA HIS A 2 -2.511 -1.569 6.485 1.00 0.17 C ATOM 17 C HIS A 2 -1.056 -1.411 6.057 1.00 0.15 C ATOM 18 O HIS A 2 -0.158 -1.586 6.873 1.00 0.21 O ATOM 19 CB HIS A 2 -3.461 -2.114 5.398 1.00 0.23 C ATOM 20 CG HIS A 2 -3.975 -1.104 4.395 1.00 0.24 C ATOM 21 ND1 HIS A 2 -4.927 -0.142 4.646 1.00 0.27 N ATOM 22 CD2 HIS A 2 -3.629 -1.004 3.073 1.00 0.25 C ATOM 23 CE1 HIS A 2 -5.127 0.541 3.505 1.00 0.31 C ATOM 24 NE2 HIS A 2 -4.357 0.051 2.522 1.00 0.29 N ATOM 25 H HIS A 2 -2.631 0.512 6.410 1.00 0.34 H ATOM 26 HA HIS A 2 -2.515 -2.281 7.310 1.00 0.20 H ATOM 27 HB2 HIS A 2 -2.976 -2.938 4.875 1.00 0.26 H ATOM 28 HB3 HIS A 2 -4.332 -2.533 5.904 1.00 0.27 H ATOM 29 HD1 HIS A 2 -5.417 -0.005 5.518 1.00 0.29 H ATOM 30 HD2 HIS A 2 -2.913 -1.618 2.546 1.00 0.26 H ATOM 31 HE1 HIS A 2 -5.820 1.362 3.387 1.00 0.37 H ATOM 32 N TRP A 3 -0.821 -1.047 4.798 1.00 0.13 N ATOM 33 CA TRP A 3 0.486 -0.835 4.191 1.00 0.15 C ATOM 34 C TRP A 3 0.220 -0.342 2.760 1.00 0.11 C ATOM 35 O TRP A 3 -0.866 0.159 2.484 1.00 0.20 O ATOM 36 CB TRP A 3 1.323 -2.125 4.222 1.00 0.23 C ATOM 37 CG TRP A 3 0.945 -3.154 3.211 1.00 0.27 C ATOM 38 CD1 TRP A 3 -0.306 -3.596 2.970 1.00 0.27 C ATOM 39 CD2 TRP A 3 1.802 -3.806 2.234 1.00 0.34 C ATOM 40 NE1 TRP A 3 -0.282 -4.488 1.916 1.00 0.34 N ATOM 41 CE2 TRP A 3 0.998 -4.652 1.421 1.00 0.38 C ATOM 42 CE3 TRP A 3 3.180 -3.742 1.951 1.00 0.40 C ATOM 43 CZ2 TRP A 3 1.545 -5.420 0.379 1.00 0.46 C ATOM 44 CZ3 TRP A 3 3.742 -4.511 0.916 1.00 0.48 C ATOM 45 CH2 TRP A 3 2.928 -5.350 0.134 1.00 0.51 C ATOM 46 H TRP A 3 -1.597 -0.783 4.211 1.00 0.13 H ATOM 47 HA TRP A 3 1.026 -0.070 4.746 1.00 0.20 H ATOM 48 HB2 TRP A 3 2.363 -1.848 4.052 1.00 0.28 H ATOM 49 HB3 TRP A 3 1.294 -2.584 5.209 1.00 0.26 H ATOM 50 HD1 TRP A 3 -1.172 -3.257 3.525 1.00 0.24 H ATOM 51 HE1 TRP A 3 -1.111 -4.936 1.548 1.00 0.37 H ATOM 52 HE3 TRP A 3 3.800 -3.100 2.562 1.00 0.39 H ATOM 53 HZ2 TRP A 3 0.911 -6.062 -0.213 1.00 0.49 H ATOM 54 HZ3 TRP A 3 4.806 -4.467 0.733 1.00 0.53 H ATOM 55 HH2 TRP A 3 3.371 -5.951 -0.647 1.00 0.58 H ATOM 56 N SER A 4 1.174 -0.538 1.849 1.00 0.14 N ATOM 57 CA SER A 4 1.190 -0.127 0.446 1.00 0.11 C ATOM 58 C SER A 4 1.900 1.209 0.352 1.00 0.11 C ATOM 59 O SER A 4 1.343 2.249 0.681 1.00 0.15 O ATOM 60 CB SER A 4 -0.192 0.003 -0.214 1.00 0.18 C ATOM 61 OG SER A 4 -0.949 -1.184 -0.114 1.00 0.28 O ATOM 62 H SER A 4 1.959 -1.086 2.160 1.00 0.23 H ATOM 63 HA SER A 4 1.773 -0.855 -0.118 1.00 0.10 H ATOM 64 HB2 SER A 4 -0.750 0.832 0.223 1.00 0.24 H ATOM 65 HB3 SER A 4 -0.036 0.228 -1.267 1.00 0.18 H ATOM 66 HG SER A 4 -1.319 -1.172 0.778 1.00 0.46 H ATOM 67 N TYR A 5 3.117 1.202 -0.186 1.00 0.10 N ATOM 68 CA TYR A 5 3.903 2.415 -0.372 1.00 0.13 C ATOM 69 C TYR A 5 3.459 3.226 -1.599 1.00 0.11 C ATOM 70 O TYR A 5 4.225 4.016 -2.141 1.00 0.14 O ATOM 71 CB TYR A 5 5.377 2.013 -0.456 1.00 0.16 C ATOM 72 CG TYR A 5 6.248 2.641 0.600 1.00 0.22 C ATOM 73 CD1 TYR A 5 6.398 4.038 0.619 1.00 2.00 C ATOM 74 CD2 TYR A 5 6.923 1.841 1.540 1.00 1.80 C ATOM 75 CE1 TYR A 5 7.218 4.641 1.584 1.00 2.05 C ATOM 76 CE2 TYR A 5 7.750 2.439 2.505 1.00 1.78 C ATOM 77 CZ TYR A 5 7.900 3.846 2.532 1.00 0.36 C ATOM 78 OH TYR A 5 8.700 4.443 3.459 1.00 0.46 O ATOM 79 H TYR A 5 3.540 0.322 -0.436 1.00 0.10 H ATOM 80 HA TYR A 5 3.774 3.049 0.497 1.00 0.16 H ATOM 81 HB2 TYR A 5 5.466 0.929 -0.414 1.00 0.16 H ATOM 82 HB3 TYR A 5 5.767 2.324 -1.411 1.00 0.16 H ATOM 83 HD1 TYR A 5 5.888 4.648 -0.113 1.00 3.42 H ATOM 84 HD2 TYR A 5 6.817 0.766 1.520 1.00 3.26 H ATOM 85 HE1 TYR A 5 7.326 5.713 1.589 1.00 3.51 H ATOM 86 HE2 TYR A 5 8.265 1.809 3.213 1.00 3.21 H ATOM 87 HH TYR A 5 9.129 3.827 4.056 1.00 1.21 H HETATM 88 N DLE A 6 2.233 3.006 -2.078 1.00 0.09 N HETATM 89 CA DLE A 6 1.743 3.584 -3.326 1.00 0.10 C HETATM 90 CB DLE A 6 0.201 3.650 -3.337 1.00 0.11 C HETATM 91 CG DLE A 6 -0.510 2.445 -3.979 1.00 0.38 C HETATM 92 CD1 DLE A 6 -0.954 2.741 -5.417 1.00 0.62 C HETATM 93 CD2 DLE A 6 -1.771 2.088 -3.189 1.00 0.59 C HETATM 94 C DLE A 6 2.334 2.862 -4.536 1.00 0.10 C HETATM 95 O DLE A 6 2.246 3.347 -5.657 1.00 0.22 O HETATM 96 H DLE A 6 1.643 2.403 -1.538 1.00 0.10 H HETATM 97 HA DLE A 6 2.112 4.601 -3.370 1.00 0.12 H HETATM 98 HB2 DLE A 6 -0.098 4.549 -3.876 1.00 0.31 H HETATM 99 HB3 DLE A 6 -0.144 3.770 -2.309 1.00 0.29 H HETATM 100 HG DLE A 6 0.154 1.583 -3.969 1.00 0.42 H HETATM 101 HD11 DLE A 6 -1.413 1.855 -5.857 1.00 1.48 H HETATM 102 HD12 DLE A 6 -0.107 3.030 -6.034 1.00 1.99 H HETATM 103 HD13 DLE A 6 -1.679 3.556 -5.422 1.00 1.85 H HETATM 104 HD21 DLE A 6 -1.501 1.741 -2.193 1.00 1.34 H HETATM 105 HD22 DLE A 6 -2.312 1.295 -3.703 1.00 1.91 H HETATM 106 HD23 DLE A 6 -2.418 2.960 -3.103 1.00 1.70 H ATOM 107 N LEU A 7 2.941 1.696 -4.310 1.00 0.08 N ATOM 108 CA LEU A 7 3.576 0.915 -5.363 1.00 0.11 C ATOM 109 C LEU A 7 2.599 -0.113 -5.933 1.00 0.16 C ATOM 110 O LEU A 7 2.815 -0.641 -7.018 1.00 0.26 O ATOM 111 CB LEU A 7 4.825 0.195 -4.826 1.00 0.12 C ATOM 112 CG LEU A 7 5.634 1.012 -3.808 1.00 0.13 C ATOM 113 CD1 LEU A 7 6.858 0.212 -3.358 1.00 0.17 C ATOM 114 CD2 LEU A 7 6.098 2.360 -4.366 1.00 0.17 C ATOM 115 H LEU A 7 3.066 1.405 -3.356 1.00 0.09 H ATOM 116 HA LEU A 7 3.880 1.589 -6.161 1.00 0.13 H ATOM 117 HB2 LEU A 7 4.517 -0.732 -4.342 1.00 0.14 H ATOM 118 HB3 LEU A 7 5.464 -0.064 -5.672 1.00 0.16 H ATOM 119 HG LEU A 7 4.999 1.175 -2.934 1.00 0.13 H ATOM 120 HD11 LEU A 7 7.404 0.772 -2.597 1.00 1.86 H ATOM 121 HD12 LEU A 7 6.545 -0.742 -2.934 1.00 1.76 H ATOM 122 HD13 LEU A 7 7.518 0.033 -4.206 1.00 1.83 H ATOM 123 HD21 LEU A 7 6.717 2.209 -5.250 1.00 1.54 H ATOM 124 HD22 LEU A 7 5.242 2.980 -4.632 1.00 1.49 H ATOM 125 HD23 LEU A 7 6.674 2.894 -3.610 1.00 1.44 H ATOM 126 N ARG A 8 1.565 -0.470 -5.162 1.00 0.12 N ATOM 127 CA ARG A 8 0.630 -1.534 -5.465 1.00 0.20 C ATOM 128 C ARG A 8 -0.574 -1.398 -4.539 1.00 0.11 C ATOM 129 O ARG A 8 -0.418 -1.059 -3.364 1.00 0.14 O ATOM 130 CB ARG A 8 1.307 -2.894 -5.249 1.00 0.34 C ATOM 131 CG ARG A 8 1.775 -3.074 -3.795 1.00 0.39 C ATOM 132 CD ARG A 8 3.125 -3.788 -3.729 1.00 0.59 C ATOM 133 NE ARG A 8 2.988 -5.244 -3.911 1.00 0.70 N ATOM 134 CZ ARG A 8 3.903 -6.076 -4.429 1.00 0.70 C ATOM 135 NH1 ARG A 8 5.033 -5.604 -4.957 1.00 1.72 N ATOM 136 NH2 ARG A 8 3.688 -7.393 -4.408 1.00 0.71 N ATOM 137 H ARG A 8 1.379 0.011 -4.299 1.00 0.07 H ATOM 138 HA ARG A 8 0.334 -1.427 -6.506 1.00 0.32 H ATOM 139 HB2 ARG A 8 0.609 -3.692 -5.503 1.00 0.38 H ATOM 140 HB3 ARG A 8 2.156 -2.965 -5.928 1.00 0.47 H ATOM 141 HG2 ARG A 8 1.910 -2.105 -3.319 1.00 0.28 H ATOM 142 HG3 ARG A 8 1.015 -3.617 -3.229 1.00 0.47 H ATOM 143 HD2 ARG A 8 3.782 -3.346 -4.480 1.00 0.66 H ATOM 144 HD3 ARG A 8 3.562 -3.596 -2.748 1.00 0.71 H ATOM 145 HE ARG A 8 2.130 -5.632 -3.546 1.00 1.51 H ATOM 146 HH11 ARG A 8 5.199 -4.611 -4.994 1.00 1.89 H ATOM 147 HH12 ARG A 8 5.734 -6.209 -5.356 1.00 2.44 H ATOM 148 HH21 ARG A 8 2.846 -7.779 -4.007 1.00 1.02 H ATOM 149 HH22 ARG A 8 4.361 -8.045 -4.782 1.00 1.17 H ATOM 150 N PRO A 9 -1.776 -1.703 -5.016 1.00 0.17 N ATOM 151 CA PRO A 9 -2.976 -1.703 -4.203 1.00 0.22 C ATOM 152 C PRO A 9 -2.970 -2.943 -3.307 1.00 0.19 C ATOM 153 O PRO A 9 -3.620 -3.938 -3.614 1.00 0.33 O ATOM 154 CB PRO A 9 -4.110 -1.717 -5.227 1.00 0.32 C ATOM 155 CG PRO A 9 -3.512 -2.574 -6.341 1.00 0.31 C ATOM 156 CD PRO A 9 -2.059 -2.112 -6.375 1.00 0.27 C ATOM 157 HA PRO A 9 -3.044 -0.805 -3.590 1.00 0.28 H ATOM 158 HB2 PRO A 9 -5.030 -2.138 -4.826 1.00 0.35 H ATOM 159 HB3 PRO A 9 -4.269 -0.703 -5.596 1.00 0.40 H ATOM 160 HG2 PRO A 9 -3.535 -3.617 -6.034 1.00 0.27 H ATOM 161 HG3 PRO A 9 -4.015 -2.422 -7.294 1.00 0.41 H ATOM 162 HD2 PRO A 9 -1.407 -2.928 -6.686 1.00 0.30 H ATOM 163 HD3 PRO A 9 -1.945 -1.253 -7.037 1.00 0.35 H TER 164 PRO A 9 HETATM 165 N NEH A 10 -2.221 -2.892 -2.204 1.00 0.34 N HETATM 166 CA NEH A 10 -2.046 -4.019 -1.295 1.00 0.37 C HETATM 167 CB NEH A 10 -3.342 -4.301 -0.528 1.00 2.41 C HETATM 168 H NEH A 10 -1.653 -2.056 -2.062 1.00 0.38 H HETATM 169 HA2 NEH A 10 -1.751 -4.906 -1.859 1.00 1.48 H HETATM 170 HA3 NEH A 10 -1.257 -3.780 -0.584 1.00 1.66 H HETATM 171 HB1 NEH A 10 -4.089 -4.720 -1.205 1.00 3.15 H HETATM 172 HB2 NEH A 10 -3.153 -5.025 0.264 1.00 2.79 H HETATM 173 HB3 NEH A 10 -3.733 -3.380 -0.093 1.00 3.67 H