HETATM 1 N PCA A 1 -6.547 5.458 -2.668 1.00 1.25 N HETATM 2 CA PCA A 1 -5.108 5.272 -2.681 1.00 0.67 C HETATM 3 CB PCA A 1 -4.614 5.778 -1.313 1.00 1.80 C HETATM 4 CG PCA A 1 -5.889 5.913 -0.472 1.00 2.33 C HETATM 5 CD PCA A 1 -7.014 5.834 -1.486 1.00 1.94 C HETATM 6 OE PCA A 1 -8.188 6.071 -1.223 1.00 2.82 O HETATM 7 C PCA A 1 -4.758 3.805 -2.928 1.00 0.62 C HETATM 8 O PCA A 1 -5.592 2.920 -2.752 1.00 0.78 O HETATM 9 H1 PCA A 1 -7.134 5.246 -3.460 1.00 1.89 H HETATM 10 HA PCA A 1 -4.673 5.881 -3.474 1.00 1.15 H HETATM 11 HB2 PCA A 1 -4.157 6.759 -1.438 1.00 2.08 H HETATM 12 HB3 PCA A 1 -3.906 5.088 -0.852 1.00 2.47 H HETATM 13 HG2 PCA A 1 -5.908 6.865 0.059 1.00 2.68 H HETATM 14 HG3 PCA A 1 -5.972 5.079 0.227 1.00 3.13 H ATOM 15 N HIS A 2 -3.522 3.551 -3.355 1.00 0.43 N ATOM 16 CA HIS A 2 -3.044 2.227 -3.715 1.00 0.41 C ATOM 17 C HIS A 2 -1.536 2.361 -3.841 1.00 0.29 C ATOM 18 O HIS A 2 -1.021 2.833 -4.852 1.00 0.27 O ATOM 19 CB HIS A 2 -3.682 1.768 -5.035 1.00 0.48 C ATOM 20 CG HIS A 2 -3.107 0.499 -5.620 1.00 0.54 C ATOM 21 ND1 HIS A 2 -3.038 0.207 -6.964 1.00 0.58 N ATOM 22 CD2 HIS A 2 -2.569 -0.560 -4.937 1.00 0.72 C ATOM 23 CE1 HIS A 2 -2.472 -1.007 -7.085 1.00 0.69 C ATOM 24 NE2 HIS A 2 -2.178 -1.517 -5.879 1.00 0.81 N ATOM 25 H HIS A 2 -2.834 4.291 -3.390 1.00 0.34 H ATOM 26 HA HIS A 2 -3.283 1.522 -2.916 1.00 0.48 H ATOM 27 HB2 HIS A 2 -4.749 1.609 -4.875 1.00 0.58 H ATOM 28 HB3 HIS A 2 -3.571 2.564 -5.773 1.00 0.43 H ATOM 29 HD1 HIS A 2 -3.341 0.802 -7.720 1.00 0.61 H ATOM 30 HD2 HIS A 2 -2.456 -0.645 -3.866 1.00 0.83 H ATOM 31 HE1 HIS A 2 -2.278 -1.506 -8.025 1.00 0.75 H ATOM 32 N TRP A 3 -0.841 2.052 -2.757 1.00 0.29 N ATOM 33 CA TRP A 3 0.585 2.237 -2.633 1.00 0.27 C ATOM 34 C TRP A 3 1.034 1.418 -1.440 1.00 0.26 C ATOM 35 O TRP A 3 0.212 0.894 -0.689 1.00 0.30 O ATOM 36 CB TRP A 3 0.891 3.740 -2.499 1.00 0.25 C ATOM 37 CG TRP A 3 1.774 4.213 -1.384 1.00 0.38 C ATOM 38 CD1 TRP A 3 1.335 4.696 -0.202 1.00 0.45 C ATOM 39 CD2 TRP A 3 3.231 4.260 -1.311 1.00 0.51 C ATOM 40 NE1 TRP A 3 2.411 5.076 0.575 1.00 0.59 N ATOM 41 CE2 TRP A 3 3.608 4.826 -0.060 1.00 0.61 C ATOM 42 CE3 TRP A 3 4.270 3.843 -2.165 1.00 0.59 C ATOM 43 CZ2 TRP A 3 4.949 4.996 0.314 1.00 0.75 C ATOM 44 CZ3 TRP A 3 5.620 4.005 -1.804 1.00 0.74 C ATOM 45 CH2 TRP A 3 5.961 4.583 -0.567 1.00 0.81 C ATOM 46 H TRP A 3 -1.290 1.671 -1.939 1.00 0.36 H ATOM 47 HA TRP A 3 1.084 1.835 -3.512 1.00 0.34 H ATOM 48 HB2 TRP A 3 1.318 4.069 -3.443 1.00 0.27 H ATOM 49 HB3 TRP A 3 -0.047 4.277 -2.392 1.00 0.25 H ATOM 50 HD1 TRP A 3 0.295 4.778 0.069 1.00 0.47 H ATOM 51 HE1 TRP A 3 2.331 5.465 1.502 1.00 0.69 H ATOM 52 HE3 TRP A 3 4.007 3.381 -3.103 1.00 0.58 H ATOM 53 HZ2 TRP A 3 5.201 5.414 1.278 1.00 0.84 H ATOM 54 HZ3 TRP A 3 6.403 3.680 -2.474 1.00 0.83 H ATOM 55 HH2 TRP A 3 6.999 4.696 -0.287 1.00 0.92 H ATOM 56 N SER A 4 2.349 1.306 -1.295 1.00 0.30 N ATOM 57 CA SER A 4 3.005 0.697 -0.155 1.00 0.32 C ATOM 58 C SER A 4 2.804 1.585 1.059 1.00 0.31 C ATOM 59 O SER A 4 3.714 2.290 1.487 1.00 0.39 O ATOM 60 CB SER A 4 4.494 0.482 -0.450 1.00 0.42 C ATOM 61 OG SER A 4 5.108 -0.234 0.599 1.00 1.52 O ATOM 62 H SER A 4 2.890 1.810 -1.966 1.00 0.36 H ATOM 63 HA SER A 4 2.511 -0.249 0.040 1.00 0.36 H ATOM 64 HB2 SER A 4 4.607 -0.083 -1.372 1.00 1.29 H ATOM 65 HB3 SER A 4 4.990 1.447 -0.567 1.00 0.95 H ATOM 66 HG SER A 4 5.050 0.309 1.396 1.00 2.02 H ATOM 67 N TYR A 5 1.592 1.536 1.592 1.00 0.34 N ATOM 68 CA TYR A 5 1.163 2.305 2.729 1.00 0.42 C ATOM 69 C TYR A 5 1.773 1.658 3.979 1.00 0.28 C ATOM 70 O TYR A 5 2.852 1.074 3.930 1.00 0.16 O ATOM 71 CB TYR A 5 -0.372 2.319 2.701 1.00 0.59 C ATOM 72 CG TYR A 5 -1.004 3.389 3.569 1.00 0.72 C ATOM 73 CD1 TYR A 5 -0.644 4.738 3.388 1.00 2.05 C ATOM 74 CD2 TYR A 5 -1.934 3.042 4.568 1.00 1.35 C ATOM 75 CE1 TYR A 5 -1.189 5.739 4.211 1.00 2.15 C ATOM 76 CE2 TYR A 5 -2.481 4.037 5.397 1.00 1.38 C ATOM 77 CZ TYR A 5 -2.109 5.388 5.225 1.00 1.00 C ATOM 78 OH TYR A 5 -2.644 6.342 6.038 1.00 1.15 O ATOM 79 H TYR A 5 0.925 0.905 1.171 1.00 0.34 H ATOM 80 HA TYR A 5 1.522 3.320 2.604 1.00 0.51 H ATOM 81 HB2 TYR A 5 -0.686 2.499 1.672 1.00 0.67 H ATOM 82 HB3 TYR A 5 -0.738 1.328 2.975 1.00 0.59 H ATOM 83 HD1 TYR A 5 0.052 5.018 2.614 1.00 3.17 H ATOM 84 HD2 TYR A 5 -2.234 2.013 4.707 1.00 2.46 H ATOM 85 HE1 TYR A 5 -0.897 6.768 4.061 1.00 3.32 H ATOM 86 HE2 TYR A 5 -3.191 3.776 6.168 1.00 2.44 H ATOM 87 HH TYR A 5 -2.331 7.230 5.856 1.00 2.00 H ATOM 88 N GLY A 6 1.056 1.640 5.097 1.00 0.37 N ATOM 89 CA GLY A 6 1.442 0.812 6.235 1.00 0.23 C ATOM 90 C GLY A 6 1.123 -0.674 6.017 1.00 0.49 C ATOM 91 O GLY A 6 0.786 -1.364 6.974 1.00 0.85 O ATOM 92 H GLY A 6 0.198 2.164 5.121 1.00 0.58 H ATOM 93 HA2 GLY A 6 2.513 0.918 6.417 1.00 0.21 H ATOM 94 HA3 GLY A 6 0.910 1.156 7.121 1.00 0.35 H ATOM 95 N LEU A 7 1.206 -1.178 4.779 1.00 0.45 N ATOM 96 CA LEU A 7 1.054 -2.576 4.419 1.00 0.68 C ATOM 97 C LEU A 7 1.640 -2.759 3.015 1.00 0.56 C ATOM 98 O LEU A 7 2.361 -1.897 2.515 1.00 0.40 O ATOM 99 CB LEU A 7 -0.422 -3.015 4.493 1.00 0.99 C ATOM 100 CG LEU A 7 -1.338 -2.327 3.462 1.00 1.07 C ATOM 101 CD1 LEU A 7 -2.264 -3.354 2.806 1.00 1.40 C ATOM 102 CD2 LEU A 7 -2.193 -1.263 4.157 1.00 1.09 C ATOM 103 H LEU A 7 1.609 -0.629 4.032 1.00 0.33 H ATOM 104 HA LEU A 7 1.638 -3.177 5.116 1.00 0.81 H ATOM 105 HB2 LEU A 7 -0.468 -4.095 4.358 1.00 1.16 H ATOM 106 HB3 LEU A 7 -0.799 -2.828 5.499 1.00 1.10 H ATOM 107 HG LEU A 7 -0.747 -1.858 2.673 1.00 0.96 H ATOM 108 HD11 LEU A 7 -1.681 -4.003 2.155 1.00 2.06 H ATOM 109 HD12 LEU A 7 -2.775 -3.945 3.566 1.00 1.44 H ATOM 110 HD13 LEU A 7 -3.006 -2.840 2.194 1.00 2.69 H ATOM 111 HD21 LEU A 7 -1.550 -0.543 4.659 1.00 1.46 H ATOM 112 HD22 LEU A 7 -2.808 -0.744 3.422 1.00 2.15 H ATOM 113 HD23 LEU A 7 -2.844 -1.734 4.895 1.00 1.45 H ATOM 114 N ARG A 8 1.326 -3.883 2.372 1.00 0.71 N ATOM 115 CA ARG A 8 1.843 -4.203 1.048 1.00 0.65 C ATOM 116 C ARG A 8 1.425 -3.126 0.044 1.00 0.53 C ATOM 117 O ARG A 8 0.352 -2.548 0.199 1.00 0.55 O ATOM 118 CB ARG A 8 1.340 -5.570 0.544 1.00 0.85 C ATOM 119 CG ARG A 8 1.137 -6.675 1.597 1.00 1.27 C ATOM 120 CD ARG A 8 -0.318 -6.786 2.085 1.00 2.39 C ATOM 121 NE ARG A 8 -1.267 -6.932 0.966 1.00 1.71 N ATOM 122 CZ ARG A 8 -1.510 -8.051 0.277 1.00 1.93 C ATOM 123 NH1 ARG A 8 -0.950 -9.207 0.641 1.00 2.51 N ATOM 124 NH2 ARG A 8 -2.311 -7.991 -0.787 1.00 2.27 N ATOM 125 H ARG A 8 0.699 -4.508 2.838 1.00 0.91 H ATOM 126 HA ARG A 8 2.928 -4.206 1.130 1.00 0.64 H ATOM 127 HB2 ARG A 8 0.411 -5.417 -0.004 1.00 1.96 H ATOM 128 HB3 ARG A 8 2.061 -5.941 -0.184 1.00 1.84 H ATOM 129 HG2 ARG A 8 1.412 -7.628 1.143 1.00 1.86 H ATOM 130 HG3 ARG A 8 1.804 -6.513 2.444 1.00 2.68 H ATOM 131 HD2 ARG A 8 -0.408 -7.635 2.763 1.00 4.07 H ATOM 132 HD3 ARG A 8 -0.585 -5.897 2.649 1.00 3.40 H ATOM 133 HE ARG A 8 -1.724 -6.081 0.654 1.00 1.66 H ATOM 134 HH11 ARG A 8 -0.348 -9.240 1.449 1.00 2.63 H ATOM 135 HH12 ARG A 8 -1.110 -10.067 0.139 1.00 3.12 H ATOM 136 HH21 ARG A 8 -2.677 -7.090 -1.087 1.00 2.11 H ATOM 137 HH22 ARG A 8 -2.546 -8.806 -1.331 1.00 3.01 H ATOM 138 N PRO A 9 2.188 -2.934 -1.043 1.00 0.48 N ATOM 139 CA PRO A 9 1.826 -2.013 -2.107 1.00 0.50 C ATOM 140 C PRO A 9 0.464 -2.317 -2.709 1.00 0.98 C ATOM 141 O PRO A 9 -0.270 -1.392 -3.048 1.00 2.97 O ATOM 142 CB PRO A 9 2.961 -2.041 -3.133 1.00 0.48 C ATOM 143 CG PRO A 9 3.746 -3.305 -2.792 1.00 0.62 C ATOM 144 CD PRO A 9 3.489 -3.524 -1.302 1.00 0.51 C ATOM 145 HA PRO A 9 1.758 -1.024 -1.686 1.00 0.55 H ATOM 146 HB2 PRO A 9 2.587 -2.067 -4.158 1.00 0.64 H ATOM 147 HB3 PRO A 9 3.596 -1.167 -2.995 1.00 0.48 H ATOM 148 HG2 PRO A 9 3.340 -4.144 -3.356 1.00 0.90 H ATOM 149 HG3 PRO A 9 4.810 -3.179 -3.001 1.00 0.79 H ATOM 150 HD2 PRO A 9 3.512 -4.588 -1.074 1.00 0.54 H ATOM 151 HD3 PRO A 9 4.242 -2.996 -0.715 1.00 0.57 H ATOM 152 N GLY A 10 0.096 -3.596 -2.792 1.00 1.11 N ATOM 153 CA GLY A 10 -1.262 -3.984 -3.119 1.00 0.90 C ATOM 154 C GLY A 10 -2.080 -3.942 -1.834 1.00 1.27 C ATOM 155 O GLY A 10 -2.462 -4.990 -1.298 1.00 1.67 O ATOM 156 H GLY A 10 0.716 -4.301 -2.428 1.00 2.59 H ATOM 157 HA2 GLY A 10 -1.686 -3.296 -3.854 1.00 0.68 H ATOM 158 HA3 GLY A 10 -1.272 -4.992 -3.530 1.00 1.04 H HETATM 159 N NH2 A 11 -2.296 -2.733 -1.313 1.00 1.34 N HETATM 160 HN1 NH2 A 11 -1.814 -1.926 -1.707 1.00 1.15 H HETATM 161 HN2 NH2 A 11 -2.834 -2.638 -0.468 1.00 1.71 H TER 162 NH2 A 11