HETATM 1 N PCA A 1 -6.553 6.235 -2.920 1.00 1.31 N HETATM 2 CA PCA A 1 -5.143 5.890 -2.900 1.00 0.93 C HETATM 3 CB PCA A 1 -4.629 6.344 -1.522 1.00 1.89 C HETATM 4 CG PCA A 1 -5.902 6.592 -0.704 1.00 2.32 C HETATM 5 CD PCA A 1 -7.002 6.655 -1.745 1.00 1.90 C HETATM 6 OE PCA A 1 -8.146 7.031 -1.510 1.00 2.70 O HETATM 7 C PCA A 1 -4.946 4.392 -3.132 1.00 0.84 C HETATM 8 O PCA A 1 -5.889 3.610 -3.042 1.00 1.00 O HETATM 9 H1 PCA A 1 -7.140 6.103 -3.731 1.00 1.90 H HETATM 10 HA PCA A 1 -4.625 6.443 -3.685 1.00 1.43 H HETATM 11 HB2 PCA A 1 -4.083 7.282 -1.635 1.00 2.26 H HETATM 12 HB3 PCA A 1 -3.994 5.593 -1.050 1.00 2.50 H HETATM 13 HG2 PCA A 1 -5.833 7.527 -0.148 1.00 2.73 H HETATM 14 HG3 PCA A 1 -6.088 5.755 -0.032 1.00 3.05 H ATOM 15 N HIS A 2 -3.711 3.997 -3.441 1.00 0.63 N ATOM 16 CA HIS A 2 -3.341 2.628 -3.756 1.00 0.61 C ATOM 17 C HIS A 2 -1.823 2.637 -3.841 1.00 0.42 C ATOM 18 O HIS A 2 -1.250 2.984 -4.870 1.00 0.37 O ATOM 19 CB HIS A 2 -3.981 2.182 -5.083 1.00 0.71 C ATOM 20 CG HIS A 2 -3.460 0.883 -5.655 1.00 0.79 C ATOM 21 ND1 HIS A 2 -3.550 0.504 -6.976 1.00 0.85 N ATOM 22 CD2 HIS A 2 -2.803 -0.117 -4.985 1.00 0.87 C ATOM 23 CE1 HIS A 2 -2.951 -0.694 -7.096 1.00 0.97 C ATOM 24 NE2 HIS A 2 -2.484 -1.114 -5.910 1.00 1.00 N ATOM 25 H HIS A 2 -2.946 4.661 -3.412 1.00 0.52 H ATOM 26 HA HIS A 2 -3.663 1.966 -2.950 1.00 0.72 H ATOM 27 HB2 HIS A 2 -5.055 2.074 -4.938 1.00 0.87 H ATOM 28 HB3 HIS A 2 -3.822 2.964 -5.827 1.00 0.63 H ATOM 29 HD1 HIS A 2 -3.980 1.035 -7.721 1.00 0.85 H ATOM 30 HD2 HIS A 2 -2.556 -0.132 -3.935 1.00 0.89 H ATOM 31 HE1 HIS A 2 -2.857 -1.243 -8.023 1.00 1.07 H ATOM 32 N TRP A 3 -1.163 2.332 -2.729 1.00 0.33 N ATOM 33 CA TRP A 3 0.278 2.365 -2.643 1.00 0.25 C ATOM 34 C TRP A 3 0.698 1.493 -1.474 1.00 0.29 C ATOM 35 O TRP A 3 -0.142 1.000 -0.720 1.00 0.38 O ATOM 36 CB TRP A 3 0.743 3.830 -2.541 1.00 0.19 C ATOM 37 CG TRP A 3 1.598 4.250 -1.386 1.00 0.27 C ATOM 38 CD1 TRP A 3 1.137 4.719 -0.208 1.00 0.32 C ATOM 39 CD2 TRP A 3 3.049 4.236 -1.264 1.00 0.42 C ATOM 40 NE1 TRP A 3 2.199 5.052 0.609 1.00 0.43 N ATOM 41 CE2 TRP A 3 3.408 4.770 0.007 1.00 0.48 C ATOM 42 CE3 TRP A 3 4.094 3.780 -2.089 1.00 0.55 C ATOM 43 CZ2 TRP A 3 4.742 4.860 0.433 1.00 0.63 C ATOM 44 CZ3 TRP A 3 5.437 3.856 -1.672 1.00 0.71 C ATOM 45 CH2 TRP A 3 5.761 4.394 -0.414 1.00 0.73 C ATOM 46 H TRP A 3 -1.629 2.071 -1.874 1.00 0.36 H ATOM 47 HA TRP A 3 0.704 1.921 -3.540 1.00 0.37 H ATOM 48 HB2 TRP A 3 1.275 4.059 -3.461 1.00 0.28 H ATOM 49 HB3 TRP A 3 -0.127 4.480 -2.537 1.00 0.20 H ATOM 50 HD1 TRP A 3 0.091 4.820 0.033 1.00 0.34 H ATOM 51 HE1 TRP A 3 2.101 5.409 1.545 1.00 0.51 H ATOM 52 HE3 TRP A 3 3.836 3.351 -3.043 1.00 0.56 H ATOM 53 HZ2 TRP A 3 4.977 5.238 1.417 1.00 0.68 H ATOM 54 HZ3 TRP A 3 6.225 3.493 -2.317 1.00 0.83 H ATOM 55 HH2 TRP A 3 6.791 4.435 -0.089 1.00 0.85 H ATOM 56 N SER A 4 2.005 1.301 -1.363 1.00 0.35 N ATOM 57 CA SER A 4 2.675 0.671 -0.244 1.00 0.33 C ATOM 58 C SER A 4 2.501 1.528 1.003 1.00 0.22 C ATOM 59 O SER A 4 3.383 2.283 1.397 1.00 0.26 O ATOM 60 CB SER A 4 4.162 0.469 -0.581 1.00 0.47 C ATOM 61 OG SER A 4 4.588 -0.811 -0.172 1.00 1.39 O ATOM 62 H SER A 4 2.557 1.757 -2.062 1.00 0.47 H ATOM 63 HA SER A 4 2.173 -0.278 -0.073 1.00 0.38 H ATOM 64 HB2 SER A 4 4.317 0.564 -1.654 1.00 1.21 H ATOM 65 HB3 SER A 4 4.781 1.226 -0.101 1.00 0.75 H ATOM 66 HG SER A 4 5.511 -0.750 0.090 1.00 1.90 H ATOM 67 N TYR A 5 1.318 1.439 1.595 1.00 0.20 N ATOM 68 CA TYR A 5 0.944 2.202 2.761 1.00 0.25 C ATOM 69 C TYR A 5 1.680 1.619 3.977 1.00 0.22 C ATOM 70 O TYR A 5 2.793 1.112 3.875 1.00 0.16 O ATOM 71 CB TYR A 5 -0.586 2.155 2.860 1.00 0.40 C ATOM 72 CG TYR A 5 -1.181 3.243 3.736 1.00 0.55 C ATOM 73 CD1 TYR A 5 -0.921 4.592 3.432 1.00 1.84 C ATOM 74 CD2 TYR A 5 -1.960 2.918 4.863 1.00 1.48 C ATOM 75 CE1 TYR A 5 -1.411 5.614 4.263 1.00 1.97 C ATOM 76 CE2 TYR A 5 -2.449 3.935 5.704 1.00 1.51 C ATOM 77 CZ TYR A 5 -2.172 5.290 5.407 1.00 0.93 C ATOM 78 OH TYR A 5 -2.629 6.292 6.209 1.00 1.16 O ATOM 79 H TYR A 5 0.631 0.837 1.166 1.00 0.27 H ATOM 80 HA TYR A 5 1.249 3.232 2.602 1.00 0.29 H ATOM 81 HB2 TYR A 5 -0.991 2.277 1.854 1.00 0.41 H ATOM 82 HB3 TYR A 5 -0.889 1.165 3.204 1.00 0.45 H ATOM 83 HD1 TYR A 5 -0.340 4.855 2.562 1.00 2.95 H ATOM 84 HD2 TYR A 5 -2.184 1.886 5.098 1.00 2.62 H ATOM 85 HE1 TYR A 5 -1.207 6.651 4.036 1.00 3.14 H ATOM 86 HE2 TYR A 5 -3.036 3.671 6.571 1.00 2.60 H ATOM 87 HH TYR A 5 -3.124 5.988 6.972 1.00 1.42 H ATOM 88 N GLY A 6 1.041 1.579 5.141 1.00 0.33 N ATOM 89 CA GLY A 6 1.569 0.832 6.279 1.00 0.25 C ATOM 90 C GLY A 6 1.380 -0.684 6.127 1.00 0.29 C ATOM 91 O GLY A 6 1.238 -1.380 7.129 1.00 0.51 O ATOM 92 H GLY A 6 0.148 2.032 5.198 1.00 0.47 H ATOM 93 HA2 GLY A 6 2.634 1.043 6.390 1.00 0.24 H ATOM 94 HA3 GLY A 6 1.060 1.158 7.186 1.00 0.40 H ATOM 95 N LEU A 7 1.362 -1.210 4.899 1.00 0.30 N ATOM 96 CA LEU A 7 1.309 -2.623 4.581 1.00 0.43 C ATOM 97 C LEU A 7 1.944 -2.800 3.199 1.00 0.29 C ATOM 98 O LEU A 7 2.540 -1.875 2.654 1.00 0.30 O ATOM 99 CB LEU A 7 -0.140 -3.141 4.626 1.00 0.71 C ATOM 100 CG LEU A 7 -1.046 -2.554 3.524 1.00 0.79 C ATOM 101 CD1 LEU A 7 -1.788 -3.671 2.787 1.00 1.11 C ATOM 102 CD2 LEU A 7 -2.082 -1.607 4.135 1.00 0.87 C ATOM 103 H LEU A 7 1.625 -0.650 4.100 1.00 0.31 H ATOM 104 HA LEU A 7 1.905 -3.167 5.313 1.00 0.57 H ATOM 105 HB2 LEU A 7 -0.121 -4.227 4.537 1.00 0.81 H ATOM 106 HB3 LEU A 7 -0.564 -2.921 5.606 1.00 0.87 H ATOM 107 HG LEU A 7 -0.447 -2.006 2.796 1.00 0.75 H ATOM 108 HD11 LEU A 7 -1.077 -4.253 2.210 1.00 2.10 H ATOM 109 HD12 LEU A 7 -2.307 -4.316 3.497 1.00 1.26 H ATOM 110 HD13 LEU A 7 -2.514 -3.240 2.097 1.00 2.26 H ATOM 111 HD21 LEU A 7 -1.577 -0.819 4.693 1.00 1.29 H ATOM 112 HD22 LEU A 7 -2.680 -1.155 3.342 1.00 1.99 H ATOM 113 HD23 LEU A 7 -2.740 -2.158 4.807 1.00 1.43 H ATOM 114 N ARG A 8 1.808 -3.990 2.621 1.00 0.32 N ATOM 115 CA ARG A 8 2.392 -4.306 1.323 1.00 0.37 C ATOM 116 C ARG A 8 1.890 -3.370 0.222 1.00 0.31 C ATOM 117 O ARG A 8 0.765 -2.872 0.306 1.00 0.30 O ATOM 118 CB ARG A 8 2.112 -5.781 0.973 1.00 0.54 C ATOM 119 CG ARG A 8 0.606 -6.060 0.833 1.00 0.80 C ATOM 120 CD ARG A 8 0.302 -7.351 0.073 1.00 1.41 C ATOM 121 NE ARG A 8 -1.034 -7.270 -0.543 1.00 1.38 N ATOM 122 CZ ARG A 8 -1.584 -8.196 -1.334 1.00 2.05 C ATOM 123 NH1 ARG A 8 -0.984 -9.375 -1.502 1.00 2.73 N ATOM 124 NH2 ARG A 8 -2.730 -7.925 -1.956 1.00 2.39 N ATOM 125 H ARG A 8 1.288 -4.687 3.125 1.00 0.41 H ATOM 126 HA ARG A 8 3.459 -4.131 1.412 1.00 0.48 H ATOM 127 HB2 ARG A 8 2.602 -6.018 0.029 1.00 0.90 H ATOM 128 HB3 ARG A 8 2.531 -6.429 1.744 1.00 0.80 H ATOM 129 HG2 ARG A 8 0.151 -6.117 1.822 1.00 1.13 H ATOM 130 HG3 ARG A 8 0.139 -5.248 0.281 1.00 1.46 H ATOM 131 HD2 ARG A 8 1.040 -7.483 -0.719 1.00 2.11 H ATOM 132 HD3 ARG A 8 0.355 -8.196 0.761 1.00 1.88 H ATOM 133 HE ARG A 8 -1.538 -6.401 -0.412 1.00 1.36 H ATOM 134 HH11 ARG A 8 -0.121 -9.568 -1.017 1.00 2.64 H ATOM 135 HH12 ARG A 8 -1.367 -10.094 -2.096 1.00 3.47 H ATOM 136 HH21 ARG A 8 -3.151 -7.003 -1.862 1.00 2.12 H ATOM 137 HH22 ARG A 8 -3.188 -8.589 -2.561 1.00 3.09 H ATOM 138 N PRO A 9 2.652 -3.208 -0.870 1.00 0.38 N ATOM 139 CA PRO A 9 2.153 -2.561 -2.062 1.00 0.50 C ATOM 140 C PRO A 9 1.218 -3.530 -2.775 1.00 0.84 C ATOM 141 O PRO A 9 1.607 -4.248 -3.691 1.00 1.44 O ATOM 142 CB PRO A 9 3.377 -2.220 -2.907 1.00 0.54 C ATOM 143 CG PRO A 9 4.409 -3.267 -2.491 1.00 0.59 C ATOM 144 CD PRO A 9 4.007 -3.693 -1.074 1.00 0.48 C ATOM 145 HA PRO A 9 1.617 -1.654 -1.792 1.00 0.50 H ATOM 146 HB2 PRO A 9 3.170 -2.253 -3.977 1.00 0.73 H ATOM 147 HB3 PRO A 9 3.735 -1.230 -2.642 1.00 0.46 H ATOM 148 HG2 PRO A 9 4.345 -4.123 -3.162 1.00 0.77 H ATOM 149 HG3 PRO A 9 5.410 -2.838 -2.506 1.00 0.65 H ATOM 150 HD2 PRO A 9 4.051 -4.777 -0.998 1.00 0.50 H ATOM 151 HD3 PRO A 9 4.677 -3.244 -0.344 1.00 0.52 H ATOM 152 N GLY A 10 -0.031 -3.564 -2.330 1.00 0.95 N ATOM 153 CA GLY A 10 -1.056 -4.389 -2.930 1.00 1.24 C ATOM 154 C GLY A 10 -2.361 -4.096 -2.221 1.00 1.27 C ATOM 155 O GLY A 10 -3.024 -5.022 -1.750 1.00 1.42 O ATOM 156 H GLY A 10 -0.262 -3.019 -1.507 1.00 1.18 H ATOM 157 HA2 GLY A 10 -1.149 -4.156 -3.992 1.00 1.42 H ATOM 158 HA3 GLY A 10 -0.798 -5.443 -2.813 1.00 1.36 H HETATM 159 N NH2 A 11 -2.687 -2.807 -2.098 1.00 1.28 N HETATM 160 HN1 NH2 A 11 -2.055 -2.088 -2.441 1.00 1.26 H HETATM 161 HN2 NH2 A 11 -3.555 -2.558 -1.651 1.00 1.41 H TER 162 NH2 A 11