HETATM 1 N PCA A 1 -5.307 1.777 8.665 1.00 0.66 N HETATM 2 CA PCA A 1 -3.947 1.488 8.249 1.00 0.24 C HETATM 3 CB PCA A 1 -3.050 1.900 9.433 1.00 0.79 C HETATM 4 CG PCA A 1 -4.022 2.316 10.545 1.00 1.09 C HETATM 5 CD PCA A 1 -5.387 2.278 9.889 1.00 0.95 C HETATM 6 OE PCA A 1 -6.418 2.661 10.435 1.00 1.43 O HETATM 7 C PCA A 1 -3.783 0.017 7.873 1.00 0.23 C HETATM 8 O PCA A 1 -4.407 -0.858 8.465 1.00 0.53 O HETATM 9 H PCA A 1 -6.116 1.585 8.094 1.00 1.08 H HETATM 10 HA PCA A 1 -3.706 2.109 7.386 1.00 0.61 H HETATM 11 HB2 PCA A 1 -2.432 2.752 9.145 1.00 1.05 H HETATM 12 HB3 PCA A 1 -2.418 1.075 9.764 1.00 1.11 H HETATM 13 HG2 PCA A 1 -3.794 3.319 10.907 1.00 1.29 H HETATM 14 HG3 PCA A 1 -3.992 1.597 11.364 1.00 1.54 H ATOM 15 N HIS A 2 -2.947 -0.250 6.870 1.00 0.16 N ATOM 16 CA HIS A 2 -2.579 -1.585 6.440 1.00 0.14 C ATOM 17 C HIS A 2 -1.123 -1.503 5.996 1.00 0.13 C ATOM 18 O HIS A 2 -0.229 -1.712 6.808 1.00 0.15 O ATOM 19 CB HIS A 2 -3.558 -2.118 5.373 1.00 0.19 C ATOM 20 CG HIS A 2 -4.049 -1.111 4.358 1.00 0.22 C ATOM 21 ND1 HIS A 2 -4.983 -0.127 4.598 1.00 0.26 N ATOM 22 CD2 HIS A 2 -3.694 -1.029 3.036 1.00 0.26 C ATOM 23 CE1 HIS A 2 -5.165 0.549 3.450 1.00 0.31 C ATOM 24 NE2 HIS A 2 -4.402 0.035 2.473 1.00 0.30 N ATOM 25 H HIS A 2 -2.463 0.497 6.396 1.00 0.38 H ATOM 26 HA HIS A 2 -2.611 -2.270 7.286 1.00 0.14 H ATOM 27 HB2 HIS A 2 -3.109 -2.968 4.861 1.00 0.22 H ATOM 28 HB3 HIS A 2 -4.438 -2.496 5.897 1.00 0.22 H ATOM 29 HD1 HIS A 2 -5.465 0.034 5.470 1.00 0.27 H ATOM 30 HD2 HIS A 2 -2.981 -1.655 2.518 1.00 0.26 H ATOM 31 HE1 HIS A 2 -5.838 1.385 3.323 1.00 0.36 H ATOM 32 N TRP A 3 -0.884 -1.150 4.735 1.00 0.14 N ATOM 33 CA TRP A 3 0.425 -0.966 4.125 1.00 0.14 C ATOM 34 C TRP A 3 0.178 -0.484 2.686 1.00 0.19 C ATOM 35 O TRP A 3 -0.915 -0.017 2.382 1.00 0.34 O ATOM 36 CB TRP A 3 1.246 -2.265 4.166 1.00 0.17 C ATOM 37 CG TRP A 3 0.845 -3.295 3.167 1.00 0.20 C ATOM 38 CD1 TRP A 3 -0.415 -3.721 2.952 1.00 0.22 C ATOM 39 CD2 TRP A 3 1.676 -3.958 2.176 1.00 0.25 C ATOM 40 NE1 TRP A 3 -0.421 -4.625 1.907 1.00 0.28 N ATOM 41 CE2 TRP A 3 0.847 -4.804 1.385 1.00 0.29 C ATOM 42 CE3 TRP A 3 3.047 -3.903 1.860 1.00 0.30 C ATOM 43 CZ2 TRP A 3 1.366 -5.575 0.333 1.00 0.35 C ATOM 44 CZ3 TRP A 3 3.579 -4.675 0.811 1.00 0.37 C ATOM 45 CH2 TRP A 3 2.741 -5.511 0.050 1.00 0.39 C ATOM 46 H TRP A 3 -1.655 -0.867 4.150 1.00 0.17 H ATOM 47 HA TRP A 3 0.976 -0.202 4.671 1.00 0.18 H ATOM 48 HB2 TRP A 3 2.289 -2.005 3.989 1.00 0.20 H ATOM 49 HB3 TRP A 3 1.215 -2.715 5.157 1.00 0.18 H ATOM 50 HD1 TRP A 3 -1.262 -3.362 3.520 1.00 0.22 H ATOM 51 HE1 TRP A 3 -1.261 -5.064 1.556 1.00 0.31 H ATOM 52 HE3 TRP A 3 3.686 -3.263 2.453 1.00 0.30 H ATOM 53 HZ2 TRP A 3 0.719 -6.215 -0.246 1.00 0.38 H ATOM 54 HZ3 TRP A 3 4.638 -4.635 0.598 1.00 0.41 H ATOM 55 HH2 TRP A 3 3.158 -6.112 -0.746 1.00 0.46 H ATOM 56 N SER A 4 1.162 -0.655 1.804 1.00 0.13 N ATOM 57 CA SER A 4 1.236 -0.206 0.415 1.00 0.11 C ATOM 58 C SER A 4 1.921 1.148 0.365 1.00 0.11 C ATOM 59 O SER A 4 1.347 2.165 0.735 1.00 0.15 O ATOM 60 CB SER A 4 -0.122 -0.096 -0.292 1.00 0.17 C ATOM 61 OG SER A 4 -0.823 -1.320 -0.252 1.00 0.29 O ATOM 62 H SER A 4 1.919 -1.225 2.138 1.00 0.17 H ATOM 63 HA SER A 4 1.857 -0.908 -0.142 1.00 0.12 H ATOM 64 HB2 SER A 4 -0.727 0.692 0.155 1.00 0.21 H ATOM 65 HB3 SER A 4 0.062 0.178 -1.328 1.00 0.19 H ATOM 66 HG SER A 4 -1.165 -1.389 0.649 1.00 0.43 H ATOM 67 N TYR A 5 3.131 1.183 -0.190 1.00 0.10 N ATOM 68 CA TYR A 5 3.897 2.412 -0.360 1.00 0.13 C ATOM 69 C TYR A 5 3.439 3.231 -1.578 1.00 0.11 C ATOM 70 O TYR A 5 4.197 4.023 -2.128 1.00 0.15 O ATOM 71 CB TYR A 5 5.378 2.035 -0.443 1.00 0.16 C ATOM 72 CG TYR A 5 6.228 2.607 0.665 1.00 0.20 C ATOM 73 CD1 TYR A 5 6.793 1.765 1.641 1.00 1.67 C ATOM 74 CD2 TYR A 5 6.468 3.992 0.702 1.00 1.64 C ATOM 75 CE1 TYR A 5 7.602 2.308 2.652 1.00 1.71 C ATOM 76 CE2 TYR A 5 7.275 4.543 1.713 1.00 1.63 C ATOM 77 CZ TYR A 5 7.848 3.699 2.694 1.00 0.34 C ATOM 78 OH TYR A 5 8.638 4.210 3.679 1.00 0.43 O ATOM 79 H TYR A 5 3.561 0.318 -0.477 1.00 0.11 H ATOM 80 HA TYR A 5 3.759 3.035 0.513 1.00 0.15 H ATOM 81 HB2 TYR A 5 5.477 0.952 -0.462 1.00 0.19 H ATOM 82 HB3 TYR A 5 5.778 2.398 -1.377 1.00 0.20 H ATOM 83 HD1 TYR A 5 6.616 0.700 1.614 1.00 2.91 H ATOM 84 HD2 TYR A 5 6.037 4.633 -0.055 1.00 2.90 H ATOM 85 HE1 TYR A 5 8.043 1.665 3.399 1.00 2.97 H ATOM 86 HE2 TYR A 5 7.449 5.607 1.721 1.00 2.88 H ATOM 87 HH TYR A 5 8.749 5.161 3.630 1.00 1.22 H HETATM 88 N DLE A 6 2.208 3.009 -2.042 1.00 0.09 N HETATM 89 CA DLE A 6 1.693 3.584 -3.284 1.00 0.10 C HETATM 90 CB DLE A 6 0.157 3.654 -3.254 1.00 0.13 C HETATM 91 CG DLE A 6 -0.537 2.346 -3.681 1.00 0.24 C HETATM 92 CD1 DLE A 6 -0.996 2.364 -5.147 1.00 0.41 C HETATM 93 CD2 DLE A 6 -1.756 2.114 -2.787 1.00 0.39 C HETATM 94 C DLE A 6 2.220 2.839 -4.509 1.00 0.11 C HETATM 95 O DLE A 6 1.963 3.229 -5.641 1.00 0.23 O HETATM 96 H DLE A 6 1.632 2.398 -1.497 1.00 0.09 H HETATM 97 HA DLE A 6 2.075 4.593 -3.351 1.00 0.12 H HETATM 98 HB2 DLE A 6 -0.173 4.465 -3.904 1.00 0.28 H HETATM 99 HB3 DLE A 6 -0.149 3.921 -2.241 1.00 0.24 H HETATM 100 HG DLE A 6 0.154 1.511 -3.547 1.00 0.30 H HETATM 101 HD11 DLE A 6 -0.536 3.187 -5.693 1.00 1.39 H HETATM 102 HD12 DLE A 6 -2.079 2.479 -5.210 1.00 1.30 H HETATM 103 HD13 DLE A 6 -0.712 1.433 -5.636 1.00 1.44 H HETATM 104 HD21 DLE A 6 -2.443 2.957 -2.867 1.00 1.47 H HETATM 105 HD22 DLE A 6 -1.445 2.012 -1.748 1.00 1.26 H HETATM 106 HD23 DLE A 6 -2.269 1.205 -3.091 1.00 1.43 H ATOM 107 N LEU A 7 2.957 1.753 -4.281 1.00 0.07 N ATOM 108 CA LEU A 7 3.570 0.972 -5.341 1.00 0.09 C ATOM 109 C LEU A 7 2.547 0.016 -5.949 1.00 0.13 C ATOM 110 O LEU A 7 2.716 -0.446 -7.072 1.00 0.19 O ATOM 111 CB LEU A 7 4.757 0.173 -4.779 1.00 0.15 C ATOM 112 CG LEU A 7 5.660 0.984 -3.835 1.00 0.14 C ATOM 113 CD1 LEU A 7 6.857 0.128 -3.412 1.00 0.18 C ATOM 114 CD2 LEU A 7 6.153 2.281 -4.483 1.00 0.26 C ATOM 115 H LEU A 7 3.154 1.502 -3.328 1.00 0.10 H ATOM 116 HA LEU A 7 3.927 1.647 -6.121 1.00 0.11 H ATOM 117 HB2 LEU A 7 4.380 -0.689 -4.229 1.00 0.23 H ATOM 118 HB3 LEU A 7 5.347 -0.193 -5.621 1.00 0.26 H ATOM 119 HG LEU A 7 5.087 1.230 -2.938 1.00 0.18 H ATOM 120 HD11 LEU A 7 7.302 -0.355 -4.281 1.00 1.19 H ATOM 121 HD12 LEU A 7 7.612 0.753 -2.933 1.00 1.05 H ATOM 122 HD13 LEU A 7 6.534 -0.632 -2.701 1.00 1.17 H ATOM 123 HD21 LEU A 7 6.862 2.780 -3.822 1.00 1.29 H ATOM 124 HD22 LEU A 7 6.635 2.069 -5.437 1.00 1.53 H ATOM 125 HD23 LEU A 7 5.318 2.963 -4.643 1.00 1.35 H ATOM 126 N ARG A 8 1.532 -0.362 -5.165 1.00 0.11 N ATOM 127 CA ARG A 8 0.597 -1.420 -5.480 1.00 0.16 C ATOM 128 C ARG A 8 -0.561 -1.366 -4.492 1.00 0.11 C ATOM 129 O ARG A 8 -0.348 -1.072 -3.316 1.00 0.11 O ATOM 130 CB ARG A 8 1.314 -2.772 -5.363 1.00 0.26 C ATOM 131 CG ARG A 8 1.838 -3.013 -3.936 1.00 0.30 C ATOM 132 CD ARG A 8 3.172 -3.758 -3.947 1.00 0.44 C ATOM 133 NE ARG A 8 3.001 -5.185 -4.263 1.00 0.52 N ATOM 134 CZ ARG A 8 3.994 -6.047 -4.524 1.00 0.71 C ATOM 135 NH1 ARG A 8 5.251 -5.613 -4.618 1.00 1.76 N ATOM 136 NH2 ARG A 8 3.728 -7.344 -4.684 1.00 0.68 N ATOM 137 H ARG A 8 1.386 0.069 -4.268 1.00 0.08 H ATOM 138 HA ARG A 8 0.247 -1.253 -6.494 1.00 0.23 H ATOM 139 HB2 ARG A 8 0.629 -3.574 -5.636 1.00 0.29 H ATOM 140 HB3 ARG A 8 2.144 -2.783 -6.069 1.00 0.36 H ATOM 141 HG2 ARG A 8 2.017 -2.066 -3.431 1.00 0.25 H ATOM 142 HG3 ARG A 8 1.091 -3.561 -3.357 1.00 0.40 H ATOM 143 HD2 ARG A 8 3.828 -3.271 -4.671 1.00 0.53 H ATOM 144 HD3 ARG A 8 3.621 -3.659 -2.958 1.00 0.58 H ATOM 145 HE ARG A 8 2.051 -5.526 -4.220 1.00 1.31 H ATOM 146 HH11 ARG A 8 5.452 -4.631 -4.514 1.00 1.94 H ATOM 147 HH12 ARG A 8 6.022 -6.233 -4.817 1.00 2.46 H ATOM 148 HH21 ARG A 8 2.785 -7.697 -4.608 1.00 0.86 H ATOM 149 HH22 ARG A 8 4.457 -8.015 -4.874 1.00 1.20 H ATOM 150 N PRO A 9 -1.779 -1.695 -4.914 1.00 0.17 N ATOM 151 CA PRO A 9 -2.953 -1.712 -4.059 1.00 0.20 C ATOM 152 C PRO A 9 -2.945 -2.954 -3.161 1.00 0.21 C ATOM 153 O PRO A 9 -3.777 -3.840 -3.334 1.00 0.32 O ATOM 154 CB PRO A 9 -4.118 -1.715 -5.052 1.00 0.29 C ATOM 155 CG PRO A 9 -3.552 -2.545 -6.202 1.00 0.30 C ATOM 156 CD PRO A 9 -2.115 -2.041 -6.278 1.00 0.25 C ATOM 157 HA PRO A 9 -3.005 -0.819 -3.439 1.00 0.24 H ATOM 158 HB2 PRO A 9 -5.029 -2.145 -4.638 1.00 0.33 H ATOM 159 HB3 PRO A 9 -4.296 -0.696 -5.396 1.00 0.36 H ATOM 160 HG2 PRO A 9 -3.543 -3.597 -5.916 1.00 0.28 H ATOM 161 HG3 PRO A 9 -4.093 -2.386 -7.134 1.00 0.38 H ATOM 162 HD2 PRO A 9 -1.453 -2.816 -6.666 1.00 0.27 H ATOM 163 HD3 PRO A 9 -2.057 -1.144 -6.895 1.00 0.31 H TER 164 PRO A 9 HETATM 165 N NEH A 10 -2.004 -3.030 -2.213 1.00 0.23 N HETATM 166 CA NEH A 10 -1.908 -4.094 -1.218 1.00 0.36 C HETATM 167 CB NEH A 10 -1.713 -5.473 -1.858 1.00 1.18 C HETATM 168 H NEH A 10 -1.399 -2.215 -2.076 1.00 0.23 H HETATM 169 HA2 NEH A 10 -1.047 -3.892 -0.584 1.00 1.03 H HETATM 170 HA3 NEH A 10 -2.806 -4.098 -0.598 1.00 1.04 H HETATM 171 HB1 NEH A 10 -0.881 -5.450 -2.561 1.00 2.02 H HETATM 172 HB2 NEH A 10 -1.512 -6.207 -1.079 1.00 1.69 H HETATM 173 HB3 NEH A 10 -2.620 -5.781 -2.379 1.00 1.96 H