HETATM 1 N PCA A 1 -5.147 1.959 8.389 1.00 0.79 N HETATM 2 CA PCA A 1 -3.785 1.492 8.574 1.00 0.36 C HETATM 3 CB PCA A 1 -3.498 1.648 10.080 1.00 1.07 C HETATM 4 CG PCA A 1 -4.874 1.892 10.712 1.00 1.33 C HETATM 5 CD PCA A 1 -5.764 2.226 9.531 1.00 1.09 C HETATM 6 OE PCA A 1 -6.899 2.683 9.636 1.00 1.74 O HETATM 7 C PCA A 1 -3.657 0.044 8.105 1.00 0.25 C HETATM 8 O PCA A 1 -4.300 -0.846 8.652 1.00 0.47 O HETATM 9 H PCA A 1 -5.576 2.107 7.490 1.00 1.44 H HETATM 10 HA PCA A 1 -3.100 2.124 8.009 1.00 0.99 H HETATM 11 HB2 PCA A 1 -2.869 2.524 10.236 1.00 1.40 H HETATM 12 HB3 PCA A 1 -3.021 0.762 10.503 1.00 1.56 H HETATM 13 HG2 PCA A 1 -4.837 2.722 11.419 1.00 1.56 H HETATM 14 HG3 PCA A 1 -5.238 0.987 11.198 1.00 1.95 H ATOM 15 N HIS A 2 -2.844 -0.186 7.075 1.00 0.27 N ATOM 16 CA HIS A 2 -2.555 -1.509 6.555 1.00 0.18 C ATOM 17 C HIS A 2 -1.099 -1.500 6.096 1.00 0.15 C ATOM 18 O HIS A 2 -0.214 -1.822 6.881 1.00 0.21 O ATOM 19 CB HIS A 2 -3.577 -1.910 5.471 1.00 0.25 C ATOM 20 CG HIS A 2 -3.977 -0.820 4.502 1.00 0.31 C ATOM 21 ND1 HIS A 2 -4.780 0.259 4.802 1.00 0.45 N ATOM 22 CD2 HIS A 2 -3.657 -0.738 3.172 1.00 0.29 C ATOM 23 CE1 HIS A 2 -4.912 0.990 3.682 1.00 0.50 C ATOM 24 NE2 HIS A 2 -4.246 0.422 2.665 1.00 0.39 N ATOM 25 H HIS A 2 -2.344 0.568 6.629 1.00 0.51 H ATOM 26 HA HIS A 2 -2.626 -2.239 7.361 1.00 0.17 H ATOM 27 HB2 HIS A 2 -3.203 -2.773 4.921 1.00 0.25 H ATOM 28 HB3 HIS A 2 -4.485 -2.233 5.981 1.00 0.31 H ATOM 29 HD1 HIS A 2 -5.222 0.434 5.692 1.00 0.52 H ATOM 30 HD2 HIS A 2 -3.052 -1.434 2.611 1.00 0.26 H ATOM 31 HE1 HIS A 2 -5.486 1.904 3.603 1.00 0.62 H ATOM 32 N TRP A 3 -0.843 -1.099 4.852 1.00 0.14 N ATOM 33 CA TRP A 3 0.475 -1.014 4.237 1.00 0.17 C ATOM 34 C TRP A 3 0.268 -0.392 2.850 1.00 0.16 C ATOM 35 O TRP A 3 -0.735 0.284 2.632 1.00 0.26 O ATOM 36 CB TRP A 3 1.139 -2.399 4.164 1.00 0.24 C ATOM 37 CG TRP A 3 0.604 -3.324 3.122 1.00 0.28 C ATOM 38 CD1 TRP A 3 -0.697 -3.612 2.917 1.00 0.29 C ATOM 39 CD2 TRP A 3 1.342 -4.038 2.093 1.00 0.39 C ATOM 40 NE1 TRP A 3 -0.816 -4.474 1.845 1.00 0.41 N ATOM 41 CE2 TRP A 3 0.418 -4.780 1.304 1.00 0.46 C ATOM 42 CE3 TRP A 3 2.706 -4.119 1.749 1.00 0.48 C ATOM 43 CZ2 TRP A 3 0.838 -5.598 0.244 1.00 0.58 C ATOM 44 CZ3 TRP A 3 3.138 -4.935 0.687 1.00 0.60 C ATOM 45 CH2 TRP A 3 2.207 -5.682 -0.057 1.00 0.64 C ATOM 46 H TRP A 3 -1.589 -0.711 4.295 1.00 0.18 H ATOM 47 HA TRP A 3 1.116 -0.365 4.831 1.00 0.28 H ATOM 48 HB2 TRP A 3 2.201 -2.247 3.969 1.00 0.33 H ATOM 49 HB3 TRP A 3 1.084 -2.902 5.127 1.00 0.28 H ATOM 50 HD1 TRP A 3 -1.499 -3.199 3.512 1.00 0.25 H ATOM 51 HE1 TRP A 3 -1.703 -4.807 1.494 1.00 0.48 H ATOM 52 HE3 TRP A 3 3.417 -3.556 2.338 1.00 0.49 H ATOM 53 HZ2 TRP A 3 0.118 -6.168 -0.322 1.00 0.64 H ATOM 54 HZ3 TRP A 3 4.193 -5.004 0.460 1.00 0.67 H ATOM 55 HH2 TRP A 3 2.541 -6.333 -0.849 1.00 0.74 H ATOM 56 N SER A 4 1.159 -0.683 1.902 1.00 0.15 N ATOM 57 CA SER A 4 1.153 -0.236 0.514 1.00 0.12 C ATOM 58 C SER A 4 1.783 1.141 0.410 1.00 0.14 C ATOM 59 O SER A 4 1.175 2.153 0.738 1.00 0.19 O ATOM 60 CB SER A 4 -0.241 -0.202 -0.118 1.00 0.20 C ATOM 61 OG SER A 4 -1.019 -1.317 0.247 1.00 0.45 O ATOM 62 H SER A 4 1.845 -1.376 2.147 1.00 0.24 H ATOM 63 HA SER A 4 1.764 -0.932 -0.062 1.00 0.09 H ATOM 64 HB2 SER A 4 -0.766 0.703 0.189 1.00 0.19 H ATOM 65 HB3 SER A 4 -0.114 -0.182 -1.200 1.00 0.34 H ATOM 66 HG SER A 4 -1.405 -1.079 1.099 1.00 0.62 H ATOM 67 N TYR A 5 2.994 1.200 -0.135 1.00 0.14 N ATOM 68 CA TYR A 5 3.731 2.449 -0.274 1.00 0.22 C ATOM 69 C TYR A 5 3.296 3.258 -1.507 1.00 0.21 C ATOM 70 O TYR A 5 4.056 4.065 -2.030 1.00 0.26 O ATOM 71 CB TYR A 5 5.219 2.101 -0.304 1.00 0.26 C ATOM 72 CG TYR A 5 6.034 2.734 0.794 1.00 0.35 C ATOM 73 CD1 TYR A 5 6.295 2.029 1.983 1.00 1.70 C ATOM 74 CD2 TYR A 5 6.551 4.028 0.609 1.00 1.68 C ATOM 75 CE1 TYR A 5 7.089 2.614 2.984 1.00 1.74 C ATOM 76 CE2 TYR A 5 7.348 4.618 1.603 1.00 1.70 C ATOM 77 CZ TYR A 5 7.625 3.908 2.796 1.00 0.52 C ATOM 78 OH TYR A 5 8.408 4.455 3.767 1.00 0.60 O ATOM 79 H TYR A 5 3.455 0.345 -0.403 1.00 0.13 H ATOM 80 HA TYR A 5 3.548 3.065 0.597 1.00 0.26 H ATOM 81 HB2 TYR A 5 5.346 1.020 -0.266 1.00 0.25 H ATOM 82 HB3 TYR A 5 5.631 2.426 -1.246 1.00 0.27 H ATOM 83 HD1 TYR A 5 5.896 1.036 2.128 1.00 2.94 H ATOM 84 HD2 TYR A 5 6.339 4.565 -0.306 1.00 2.92 H ATOM 85 HE1 TYR A 5 7.299 2.075 3.894 1.00 2.98 H ATOM 86 HE2 TYR A 5 7.742 5.608 1.435 1.00 2.95 H ATOM 87 HH TYR A 5 8.753 5.321 3.541 1.00 1.34 H HETATM 88 N DLE A 6 2.084 3.013 -2.011 1.00 0.17 N HETATM 89 CA DLE A 6 1.605 3.570 -3.276 1.00 0.16 C HETATM 90 CB DLE A 6 0.072 3.569 -3.353 1.00 0.19 C HETATM 91 CG DLE A 6 -0.542 2.166 -3.532 1.00 0.36 C HETATM 92 CD1 DLE A 6 -1.240 2.033 -4.887 1.00 0.63 C HETATM 93 CD2 DLE A 6 -1.564 1.917 -2.422 1.00 0.53 C HETATM 94 C DLE A 6 2.196 2.847 -4.481 1.00 0.13 C HETATM 95 O DLE A 6 1.958 3.235 -5.620 1.00 0.23 O HETATM 96 H DLE A 6 1.503 2.394 -1.476 1.00 0.15 H HETATM 97 HA DLE A 6 1.946 4.597 -3.326 1.00 0.20 H HETATM 98 HB2 DLE A 6 -0.222 4.193 -4.198 1.00 0.40 H HETATM 99 HB3 DLE A 6 -0.322 4.045 -2.454 1.00 0.30 H HETATM 100 HG DLE A 6 0.235 1.398 -3.481 1.00 0.36 H HETATM 101 HD11 DLE A 6 -1.998 2.808 -4.995 1.00 1.53 H HETATM 102 HD12 DLE A 6 -1.722 1.061 -4.964 1.00 1.85 H HETATM 103 HD13 DLE A 6 -0.509 2.135 -5.691 1.00 1.27 H HETATM 104 HD21 DLE A 6 -1.118 2.132 -1.452 1.00 1.77 H HETATM 105 HD22 DLE A 6 -1.896 0.880 -2.444 1.00 1.47 H HETATM 106 HD23 DLE A 6 -2.426 2.570 -2.557 1.00 1.42 H ATOM 107 N LEU A 7 2.942 1.773 -4.237 1.00 0.09 N ATOM 108 CA LEU A 7 3.628 1.038 -5.285 1.00 0.14 C ATOM 109 C LEU A 7 2.681 0.011 -5.903 1.00 0.17 C ATOM 110 O LEU A 7 2.919 -0.466 -7.008 1.00 0.26 O ATOM 111 CB LEU A 7 4.883 0.337 -4.733 1.00 0.21 C ATOM 112 CG LEU A 7 5.615 1.117 -3.629 1.00 0.24 C ATOM 113 CD1 LEU A 7 6.870 0.357 -3.198 1.00 0.31 C ATOM 114 CD2 LEU A 7 6.031 2.520 -4.086 1.00 0.33 C ATOM 115 H LEU A 7 3.083 1.507 -3.279 1.00 0.11 H ATOM 116 HA LEU A 7 3.933 1.743 -6.058 1.00 0.16 H ATOM 117 HB2 LEU A 7 4.595 -0.631 -4.323 1.00 0.20 H ATOM 118 HB3 LEU A 7 5.568 0.159 -5.563 1.00 0.30 H ATOM 119 HG LEU A 7 4.949 1.184 -2.763 1.00 0.20 H ATOM 120 HD11 LEU A 7 7.599 0.350 -4.010 1.00 1.36 H ATOM 121 HD12 LEU A 7 7.314 0.846 -2.330 1.00 1.43 H ATOM 122 HD13 LEU A 7 6.615 -0.668 -2.933 1.00 1.16 H ATOM 123 HD21 LEU A 7 6.584 3.023 -3.291 1.00 1.56 H ATOM 124 HD22 LEU A 7 6.663 2.457 -4.971 1.00 1.21 H ATOM 125 HD23 LEU A 7 5.158 3.129 -4.317 1.00 1.45 H ATOM 126 N ARG A 8 1.648 -0.399 -5.158 1.00 0.13 N ATOM 127 CA ARG A 8 0.741 -1.460 -5.543 1.00 0.21 C ATOM 128 C ARG A 8 -0.481 -1.455 -4.634 1.00 0.18 C ATOM 129 O ARG A 8 -0.364 -1.172 -3.441 1.00 0.15 O ATOM 130 CB ARG A 8 1.464 -2.808 -5.441 1.00 0.30 C ATOM 131 CG ARG A 8 1.917 -3.095 -4.000 1.00 0.27 C ATOM 132 CD ARG A 8 3.313 -3.727 -3.933 1.00 0.45 C ATOM 133 NE ARG A 8 3.270 -5.192 -3.796 1.00 0.76 N ATOM 134 CZ ARG A 8 3.048 -6.091 -4.764 1.00 1.06 C ATOM 135 NH1 ARG A 8 2.865 -5.701 -6.025 1.00 2.77 N ATOM 136 NH2 ARG A 8 3.011 -7.391 -4.465 1.00 0.99 N ATOM 137 H ARG A 8 1.439 0.035 -4.275 1.00 0.06 H ATOM 138 HA ARG A 8 0.444 -1.255 -6.568 1.00 0.31 H ATOM 139 HB2 ARG A 8 0.799 -3.605 -5.774 1.00 0.37 H ATOM 140 HB3 ARG A 8 2.323 -2.776 -6.107 1.00 0.43 H ATOM 141 HG2 ARG A 8 1.971 -2.165 -3.438 1.00 0.20 H ATOM 142 HG3 ARG A 8 1.174 -3.724 -3.505 1.00 0.29 H ATOM 143 HD2 ARG A 8 3.911 -3.428 -4.795 1.00 0.53 H ATOM 144 HD3 ARG A 8 3.811 -3.319 -3.052 1.00 0.55 H ATOM 145 HE ARG A 8 3.436 -5.520 -2.856 1.00 2.09 H ATOM 146 HH11 ARG A 8 2.936 -4.724 -6.262 1.00 3.02 H ATOM 147 HH12 ARG A 8 2.686 -6.356 -6.771 1.00 3.90 H ATOM 148 HH21 ARG A 8 3.159 -7.717 -3.521 1.00 1.33 H ATOM 149 HH22 ARG A 8 2.842 -8.093 -5.170 1.00 1.83 H ATOM 150 N PRO A 9 -1.653 -1.814 -5.153 1.00 0.31 N ATOM 151 CA PRO A 9 -2.909 -1.767 -4.426 1.00 0.38 C ATOM 152 C PRO A 9 -3.053 -2.980 -3.499 1.00 0.32 C ATOM 153 O PRO A 9 -3.972 -3.777 -3.667 1.00 0.41 O ATOM 154 CB PRO A 9 -3.957 -1.752 -5.540 1.00 0.56 C ATOM 155 CG PRO A 9 -3.318 -2.624 -6.618 1.00 0.54 C ATOM 156 CD PRO A 9 -1.858 -2.189 -6.537 1.00 0.45 C ATOM 157 HA PRO A 9 -2.988 -0.852 -3.839 1.00 0.45 H ATOM 158 HB2 PRO A 9 -4.926 -2.132 -5.220 1.00 0.63 H ATOM 159 HB3 PRO A 9 -4.049 -0.734 -5.915 1.00 0.66 H ATOM 160 HG2 PRO A 9 -3.403 -3.675 -6.341 1.00 0.48 H ATOM 161 HG3 PRO A 9 -3.745 -2.440 -7.605 1.00 0.68 H ATOM 162 HD2 PRO A 9 -1.197 -3.005 -6.828 1.00 0.45 H ATOM 163 HD3 PRO A 9 -1.688 -1.316 -7.167 1.00 0.54 H TER 164 PRO A 9 HETATM 165 N NEH A 10 -2.146 -3.132 -2.529 1.00 0.35 N HETATM 166 CA NEH A 10 -2.212 -4.168 -1.507 1.00 0.42 C HETATM 167 CB NEH A 10 -1.960 -5.560 -2.101 1.00 1.23 C HETATM 168 H NEH A 10 -1.460 -2.392 -2.408 1.00 0.38 H HETATM 169 HA2 NEH A 10 -1.452 -3.965 -0.756 1.00 0.92 H HETATM 170 HA3 NEH A 10 -3.192 -4.147 -1.028 1.00 1.20 H HETATM 171 HB1 NEH A 10 -2.014 -6.306 -1.307 1.00 2.13 H HETATM 172 HB2 NEH A 10 -2.725 -5.800 -2.839 1.00 2.29 H HETATM 173 HB3 NEH A 10 -0.979 -5.599 -2.572 1.00 2.29 H