HETATM 1 N PCA A 1 -6.521 6.241 -2.886 1.00 1.32 N HETATM 2 CA PCA A 1 -5.113 5.912 -3.019 1.00 0.96 C HETATM 3 CB PCA A 1 -4.448 6.423 -1.728 1.00 1.97 C HETATM 4 CG PCA A 1 -5.621 6.679 -0.776 1.00 2.40 C HETATM 5 CD PCA A 1 -6.835 6.701 -1.683 1.00 1.94 C HETATM 6 OE PCA A 1 -7.947 7.081 -1.328 1.00 2.77 O HETATM 7 C PCA A 1 -4.919 4.410 -3.230 1.00 0.84 C HETATM 8 O PCA A 1 -5.864 3.632 -3.138 1.00 1.00 O HETATM 9 H1 PCA A 1 -7.195 6.075 -3.618 1.00 1.92 H HETATM 10 HA PCA A 1 -4.700 6.443 -3.877 1.00 1.49 H HETATM 11 HB2 PCA A 1 -3.939 7.364 -1.938 1.00 2.36 H HETATM 12 HB3 PCA A 1 -3.747 5.700 -1.309 1.00 2.60 H HETATM 13 HG2 PCA A 1 -5.501 7.629 -0.253 1.00 2.84 H HETATM 14 HG3 PCA A 1 -5.717 5.857 -0.066 1.00 3.14 H ATOM 15 N HIS A 2 -3.684 4.009 -3.534 1.00 0.63 N ATOM 16 CA HIS A 2 -3.319 2.638 -3.848 1.00 0.60 C ATOM 17 C HIS A 2 -1.798 2.634 -3.925 1.00 0.39 C ATOM 18 O HIS A 2 -1.215 2.953 -4.957 1.00 0.34 O ATOM 19 CB HIS A 2 -3.961 2.199 -5.177 1.00 0.70 C ATOM 20 CG HIS A 2 -3.410 0.920 -5.761 1.00 0.76 C ATOM 21 ND1 HIS A 2 -3.304 0.640 -7.105 1.00 0.77 N ATOM 22 CD2 HIS A 2 -2.900 -0.150 -5.074 1.00 0.92 C ATOM 23 CE1 HIS A 2 -2.733 -0.573 -7.220 1.00 0.85 C ATOM 24 NE2 HIS A 2 -2.471 -1.093 -6.010 1.00 0.98 N ATOM 25 H HIS A 2 -2.916 4.668 -3.507 1.00 0.53 H ATOM 26 HA HIS A 2 -3.654 1.976 -3.049 1.00 0.71 H ATOM 27 HB2 HIS A 2 -5.033 2.063 -5.023 1.00 0.84 H ATOM 28 HB3 HIS A 2 -3.826 2.994 -5.912 1.00 0.64 H ATOM 29 HD1 HIS A 2 -3.589 1.241 -7.864 1.00 0.80 H ATOM 30 HD2 HIS A 2 -2.823 -0.245 -4.002 1.00 1.04 H ATOM 31 HE1 HIS A 2 -2.510 -1.060 -8.160 1.00 0.90 H ATOM 32 N TRP A 3 -1.150 2.355 -2.799 1.00 0.33 N ATOM 33 CA TRP A 3 0.293 2.370 -2.688 1.00 0.25 C ATOM 34 C TRP A 3 0.679 1.466 -1.529 1.00 0.31 C ATOM 35 O TRP A 3 -0.189 0.949 -0.825 1.00 0.38 O ATOM 36 CB TRP A 3 0.769 3.829 -2.555 1.00 0.20 C ATOM 37 CG TRP A 3 1.595 4.230 -1.372 1.00 0.27 C ATOM 38 CD1 TRP A 3 1.113 4.721 -0.212 1.00 0.31 C ATOM 39 CD2 TRP A 3 3.041 4.187 -1.212 1.00 0.42 C ATOM 40 NE1 TRP A 3 2.161 5.027 0.633 1.00 0.40 N ATOM 41 CE2 TRP A 3 3.378 4.715 0.066 1.00 0.47 C ATOM 42 CE3 TRP A 3 4.094 3.705 -2.011 1.00 0.58 C ATOM 43 CZ2 TRP A 3 4.702 4.771 0.528 1.00 0.61 C ATOM 44 CZ3 TRP A 3 5.427 3.750 -1.560 1.00 0.74 C ATOM 45 CH2 TRP A 3 5.731 4.280 -0.293 1.00 0.75 C ATOM 46 H TRP A 3 -1.640 2.123 -1.949 1.00 0.39 H ATOM 47 HA TRP A 3 0.732 1.938 -3.583 1.00 0.35 H ATOM 48 HB2 TRP A 3 1.328 4.065 -3.456 1.00 0.29 H ATOM 49 HB3 TRP A 3 -0.095 4.484 -2.566 1.00 0.22 H ATOM 50 HD1 TRP A 3 0.064 4.859 -0.001 1.00 0.36 H ATOM 51 HE1 TRP A 3 2.045 5.386 1.566 1.00 0.47 H ATOM 52 HE3 TRP A 3 3.846 3.280 -2.968 1.00 0.59 H ATOM 53 HZ2 TRP A 3 4.922 5.142 1.517 1.00 0.66 H ATOM 54 HZ3 TRP A 3 6.222 3.366 -2.184 1.00 0.88 H ATOM 55 HH2 TRP A 3 6.753 4.291 0.059 1.00 0.88 H ATOM 56 N SER A 4 1.981 1.261 -1.353 1.00 0.37 N ATOM 57 CA SER A 4 2.523 0.589 -0.189 1.00 0.45 C ATOM 58 C SER A 4 2.334 1.488 1.018 1.00 0.32 C ATOM 59 O SER A 4 3.231 2.223 1.414 1.00 0.32 O ATOM 60 CB SER A 4 4.005 0.233 -0.374 1.00 0.63 C ATOM 61 OG SER A 4 4.280 -1.002 0.258 1.00 1.63 O ATOM 62 H SER A 4 2.595 1.767 -1.962 1.00 0.42 H ATOM 63 HA SER A 4 1.934 -0.314 -0.046 1.00 0.56 H ATOM 64 HB2 SER A 4 4.236 0.154 -1.433 1.00 1.25 H ATOM 65 HB3 SER A 4 4.653 1.010 0.032 1.00 0.77 H ATOM 66 HG SER A 4 4.001 -0.963 1.186 1.00 2.27 H ATOM 67 N TYR A 5 1.137 1.441 1.582 1.00 0.30 N ATOM 68 CA TYR A 5 0.781 2.199 2.756 1.00 0.26 C ATOM 69 C TYR A 5 1.516 1.599 3.963 1.00 0.22 C ATOM 70 O TYR A 5 2.655 1.153 3.862 1.00 0.20 O ATOM 71 CB TYR A 5 -0.750 2.192 2.853 1.00 0.44 C ATOM 72 CG TYR A 5 -1.323 3.293 3.724 1.00 0.55 C ATOM 73 CD1 TYR A 5 -0.985 4.635 3.461 1.00 2.28 C ATOM 74 CD2 TYR A 5 -2.186 2.985 4.792 1.00 1.80 C ATOM 75 CE1 TYR A 5 -1.485 5.669 4.272 1.00 2.42 C ATOM 76 CE2 TYR A 5 -2.693 4.015 5.606 1.00 1.78 C ATOM 77 CZ TYR A 5 -2.342 5.358 5.353 1.00 0.90 C ATOM 78 OH TYR A 5 -2.838 6.345 6.152 1.00 1.08 O ATOM 79 H TYR A 5 0.438 0.868 1.133 1.00 0.40 H ATOM 80 HA TYR A 5 1.115 3.220 2.614 1.00 0.25 H ATOM 81 HB2 TYR A 5 -1.150 2.330 1.847 1.00 0.47 H ATOM 82 HB3 TYR A 5 -1.082 1.212 3.196 1.00 0.52 H ATOM 83 HD1 TYR A 5 -0.343 4.885 2.630 1.00 3.73 H ATOM 84 HD2 TYR A 5 -2.475 1.963 4.991 1.00 3.30 H ATOM 85 HE1 TYR A 5 -1.211 6.691 4.059 1.00 3.94 H ATOM 86 HE2 TYR A 5 -3.357 3.785 6.426 1.00 3.19 H ATOM 87 HH TYR A 5 -2.542 7.225 5.912 1.00 1.90 H ATOM 88 N GLY A 6 0.874 1.513 5.121 1.00 0.27 N ATOM 89 CA GLY A 6 1.459 0.816 6.263 1.00 0.24 C ATOM 90 C GLY A 6 1.370 -0.711 6.127 1.00 0.29 C ATOM 91 O GLY A 6 1.044 -1.381 7.101 1.00 0.63 O ATOM 92 H GLY A 6 -0.034 1.943 5.182 1.00 0.38 H ATOM 93 HA2 GLY A 6 2.508 1.097 6.365 1.00 0.21 H ATOM 94 HA3 GLY A 6 0.934 1.116 7.169 1.00 0.34 H ATOM 95 N LEU A 7 1.626 -1.266 4.935 1.00 0.24 N ATOM 96 CA LEU A 7 1.611 -2.682 4.622 1.00 0.27 C ATOM 97 C LEU A 7 2.198 -2.862 3.215 1.00 0.26 C ATOM 98 O LEU A 7 2.836 -1.961 2.664 1.00 0.35 O ATOM 99 CB LEU A 7 0.183 -3.256 4.733 1.00 0.49 C ATOM 100 CG LEU A 7 -0.817 -2.648 3.730 1.00 0.63 C ATOM 101 CD1 LEU A 7 -1.728 -3.745 3.175 1.00 0.87 C ATOM 102 CD2 LEU A 7 -1.693 -1.589 4.407 1.00 0.70 C ATOM 103 H LEU A 7 1.994 -0.711 4.176 1.00 0.43 H ATOM 104 HA LEU A 7 2.258 -3.203 5.328 1.00 0.36 H ATOM 105 HB2 LEU A 7 0.227 -4.335 4.593 1.00 0.57 H ATOM 106 HB3 LEU A 7 -0.192 -3.112 5.746 1.00 0.57 H ATOM 107 HG LEU A 7 -0.283 -2.191 2.897 1.00 0.61 H ATOM 108 HD11 LEU A 7 -2.132 -4.348 3.989 1.00 1.30 H ATOM 109 HD12 LEU A 7 -2.551 -3.297 2.617 1.00 1.80 H ATOM 110 HD13 LEU A 7 -1.160 -4.377 2.497 1.00 1.54 H ATOM 111 HD21 LEU A 7 -1.072 -0.799 4.821 1.00 1.49 H ATOM 112 HD22 LEU A 7 -2.376 -1.155 3.678 1.00 1.73 H ATOM 113 HD23 LEU A 7 -2.272 -2.045 5.213 1.00 1.19 H ATOM 114 N ARG A 8 1.977 -4.039 2.631 1.00 0.31 N ATOM 115 CA ARG A 8 2.475 -4.395 1.311 1.00 0.39 C ATOM 116 C ARG A 8 1.972 -3.433 0.231 1.00 0.36 C ATOM 117 O ARG A 8 0.875 -2.885 0.354 1.00 0.34 O ATOM 118 CB ARG A 8 2.086 -5.849 0.972 1.00 0.54 C ATOM 119 CG ARG A 8 0.561 -6.063 0.986 1.00 0.76 C ATOM 120 CD ARG A 8 0.099 -7.233 0.113 1.00 1.31 C ATOM 121 NE ARG A 8 -1.322 -7.066 -0.239 1.00 1.19 N ATOM 122 CZ ARG A 8 -2.385 -7.480 0.459 1.00 1.66 C ATOM 123 NH1 ARG A 8 -2.234 -8.228 1.552 1.00 2.59 N ATOM 124 NH2 ARG A 8 -3.605 -7.128 0.056 1.00 1.87 N ATOM 125 H ARG A 8 1.439 -4.710 3.148 1.00 0.37 H ATOM 126 HA ARG A 8 3.555 -4.293 1.350 1.00 0.46 H ATOM 127 HB2 ARG A 8 2.470 -6.090 -0.019 1.00 0.83 H ATOM 128 HB3 ARG A 8 2.549 -6.530 1.687 1.00 0.77 H ATOM 129 HG2 ARG A 8 0.223 -6.223 2.010 1.00 1.09 H ATOM 130 HG3 ARG A 8 0.067 -5.173 0.601 1.00 1.25 H ATOM 131 HD2 ARG A 8 0.677 -7.236 -0.813 1.00 1.92 H ATOM 132 HD3 ARG A 8 0.276 -8.179 0.626 1.00 1.82 H ATOM 133 HE ARG A 8 -1.501 -6.502 -1.061 1.00 1.56 H ATOM 134 HH11 ARG A 8 -1.312 -8.498 1.854 1.00 2.66 H ATOM 135 HH12 ARG A 8 -3.023 -8.544 2.095 1.00 3.41 H ATOM 136 HH21 ARG A 8 -3.705 -6.475 -0.718 1.00 1.66 H ATOM 137 HH22 ARG A 8 -4.445 -7.422 0.528 1.00 2.55 H ATOM 138 N PRO A 9 2.710 -3.290 -0.878 1.00 0.44 N ATOM 139 CA PRO A 9 2.198 -2.622 -2.051 1.00 0.55 C ATOM 140 C PRO A 9 1.180 -3.534 -2.724 1.00 0.82 C ATOM 141 O PRO A 9 1.507 -4.322 -3.606 1.00 1.40 O ATOM 142 CB PRO A 9 3.399 -2.333 -2.948 1.00 0.60 C ATOM 143 CG PRO A 9 4.477 -3.313 -2.488 1.00 0.64 C ATOM 144 CD PRO A 9 4.054 -3.793 -1.097 1.00 0.53 C ATOM 145 HA PRO A 9 1.721 -1.690 -1.758 1.00 0.53 H ATOM 146 HB2 PRO A 9 3.169 -2.456 -4.007 1.00 0.82 H ATOM 147 HB3 PRO A 9 3.739 -1.316 -2.781 1.00 0.50 H ATOM 148 HG2 PRO A 9 4.518 -4.159 -3.172 1.00 0.88 H ATOM 149 HG3 PRO A 9 5.440 -2.805 -2.444 1.00 0.68 H ATOM 150 HD2 PRO A 9 4.067 -4.882 -1.065 1.00 0.52 H ATOM 151 HD3 PRO A 9 4.732 -3.390 -0.345 1.00 0.59 H ATOM 152 N GLY A 10 -0.071 -3.431 -2.292 1.00 0.84 N ATOM 153 CA GLY A 10 -1.170 -4.149 -2.902 1.00 1.01 C ATOM 154 C GLY A 10 -2.416 -3.901 -2.075 1.00 1.09 C ATOM 155 O GLY A 10 -3.043 -4.851 -1.607 1.00 1.29 O ATOM 156 H GLY A 10 -0.249 -2.854 -1.478 1.00 1.10 H ATOM 157 HA2 GLY A 10 -1.325 -3.791 -3.921 1.00 1.06 H ATOM 158 HA3 GLY A 10 -0.948 -5.217 -2.927 1.00 1.13 H HETATM 159 N NH2 A 11 -2.733 -2.624 -1.854 1.00 1.09 N HETATM 160 HN1 NH2 A 11 -2.136 -1.885 -2.209 1.00 1.04 H HETATM 161 HN2 NH2 A 11 -3.559 -2.406 -1.317 1.00 1.21 H TER 162 NH2 A 11