HETATM 1 N PCA A 1 -6.654 5.223 -3.592 1.00 1.25 N HETATM 2 CA PCA A 1 -5.290 4.983 -3.156 1.00 0.62 C HETATM 3 CB PCA A 1 -5.281 5.285 -1.647 1.00 1.48 C HETATM 4 CG PCA A 1 -6.763 5.330 -1.261 1.00 2.00 C HETATM 5 CD PCA A 1 -7.485 5.459 -2.587 1.00 1.77 C HETATM 6 OE PCA A 1 -8.676 5.736 -2.694 1.00 2.64 O HETATM 7 C PCA A 1 -4.865 3.546 -3.454 1.00 0.57 C HETATM 8 O PCA A 1 -5.693 2.643 -3.518 1.00 0.70 O HETATM 9 H1 PCA A 1 -6.942 5.181 -4.559 1.00 1.94 H HETATM 10 HA PCA A 1 -4.621 5.671 -3.672 1.00 1.22 H HETATM 11 HB2 PCA A 1 -4.831 6.264 -1.481 1.00 1.77 H HETATM 12 HB3 PCA A 1 -4.746 4.522 -1.079 1.00 2.10 H HETATM 13 HG2 PCA A 1 -6.972 6.182 -0.613 1.00 2.35 H HETATM 14 HG3 PCA A 1 -7.057 4.397 -0.779 1.00 2.72 H ATOM 15 N HIS A 2 -3.559 3.344 -3.633 1.00 0.43 N ATOM 16 CA HIS A 2 -2.949 2.070 -3.974 1.00 0.44 C ATOM 17 C HIS A 2 -1.453 2.342 -3.947 1.00 0.32 C ATOM 18 O HIS A 2 -0.861 2.744 -4.943 1.00 0.33 O ATOM 19 CB HIS A 2 -3.426 1.583 -5.356 1.00 0.55 C ATOM 20 CG HIS A 2 -2.665 0.419 -5.954 1.00 0.63 C ATOM 21 ND1 HIS A 2 -2.720 0.042 -7.277 1.00 0.67 N ATOM 22 CD2 HIS A 2 -1.797 -0.433 -5.321 1.00 0.75 C ATOM 23 CE1 HIS A 2 -1.894 -1.007 -7.436 1.00 0.78 C ATOM 24 NE2 HIS A 2 -1.316 -1.336 -6.270 1.00 0.84 N ATOM 25 H HIS A 2 -2.910 4.106 -3.478 1.00 0.35 H ATOM 26 HA HIS A 2 -3.204 1.328 -3.216 1.00 0.51 H ATOM 27 HB2 HIS A 2 -4.471 1.284 -5.280 1.00 0.65 H ATOM 28 HB3 HIS A 2 -3.368 2.416 -6.057 1.00 0.50 H ATOM 29 HD1 HIS A 2 -3.269 0.482 -8.001 1.00 0.66 H ATOM 30 HD2 HIS A 2 -1.509 -0.413 -4.282 1.00 0.80 H ATOM 31 HE1 HIS A 2 -1.716 -1.517 -8.373 1.00 0.84 H ATOM 32 N TRP A 3 -0.852 2.183 -2.774 1.00 0.25 N ATOM 33 CA TRP A 3 0.560 2.416 -2.579 1.00 0.25 C ATOM 34 C TRP A 3 1.022 1.511 -1.449 1.00 0.25 C ATOM 35 O TRP A 3 0.210 0.827 -0.821 1.00 0.26 O ATOM 36 CB TRP A 3 0.802 3.917 -2.341 1.00 0.22 C ATOM 37 CG TRP A 3 1.499 4.347 -1.087 1.00 0.26 C ATOM 38 CD1 TRP A 3 0.895 4.658 0.079 1.00 0.27 C ATOM 39 CD2 TRP A 3 2.929 4.497 -0.846 1.00 0.38 C ATOM 40 NE1 TRP A 3 1.846 5.041 1.004 1.00 0.37 N ATOM 41 CE2 TRP A 3 3.122 4.953 0.489 1.00 0.43 C ATOM 42 CE3 TRP A 3 4.081 4.242 -1.614 1.00 0.50 C ATOM 43 CZ2 TRP A 3 4.398 5.162 1.032 1.00 0.55 C ATOM 44 CZ3 TRP A 3 5.368 4.435 -1.080 1.00 0.63 C ATOM 45 CH2 TRP A 3 5.527 4.895 0.240 1.00 0.64 C ATOM 46 H TRP A 3 -1.352 1.877 -1.955 1.00 0.26 H ATOM 47 HA TRP A 3 1.101 2.111 -3.473 1.00 0.34 H ATOM 48 HB2 TRP A 3 1.374 4.288 -3.189 1.00 0.30 H ATOM 49 HB3 TRP A 3 -0.150 4.441 -2.374 1.00 0.17 H ATOM 50 HD1 TRP A 3 -0.170 4.615 0.244 1.00 0.27 H ATOM 51 HE1 TRP A 3 1.634 5.314 1.950 1.00 0.43 H ATOM 52 HE3 TRP A 3 3.954 3.872 -2.619 1.00 0.52 H ATOM 53 HZ2 TRP A 3 4.513 5.479 2.057 1.00 0.60 H ATOM 54 HZ3 TRP A 3 6.242 4.223 -1.680 1.00 0.73 H ATOM 55 HH2 TRP A 3 6.518 5.024 0.655 1.00 0.74 H ATOM 56 N SER A 4 2.332 1.489 -1.233 1.00 0.29 N ATOM 57 CA SER A 4 2.970 0.778 -0.144 1.00 0.30 C ATOM 58 C SER A 4 2.664 1.511 1.156 1.00 0.23 C ATOM 59 O SER A 4 3.448 2.323 1.633 1.00 0.24 O ATOM 60 CB SER A 4 4.475 0.645 -0.413 1.00 0.41 C ATOM 61 OG SER A 4 4.919 -0.641 -0.040 1.00 1.33 O ATOM 62 H SER A 4 2.876 2.142 -1.765 1.00 0.34 H ATOM 63 HA SER A 4 2.520 -0.208 -0.086 1.00 0.35 H ATOM 64 HB2 SER A 4 4.671 0.774 -1.479 1.00 1.11 H ATOM 65 HB3 SER A 4 5.037 1.406 0.128 1.00 0.87 H ATOM 66 HG SER A 4 5.869 -0.607 0.096 1.00 2.00 H ATOM 67 N TYR A 5 1.461 1.267 1.669 1.00 0.24 N ATOM 68 CA TYR A 5 0.908 1.919 2.839 1.00 0.24 C ATOM 69 C TYR A 5 1.634 1.410 4.094 1.00 0.20 C ATOM 70 O TYR A 5 2.824 1.115 4.079 1.00 0.20 O ATOM 71 CB TYR A 5 -0.607 1.658 2.835 1.00 0.38 C ATOM 72 CG TYR A 5 -1.428 2.610 3.689 1.00 0.49 C ATOM 73 CD1 TYR A 5 -1.361 3.996 3.452 1.00 1.44 C ATOM 74 CD2 TYR A 5 -2.271 2.115 4.704 1.00 1.82 C ATOM 75 CE1 TYR A 5 -2.124 4.891 4.224 1.00 1.47 C ATOM 76 CE2 TYR A 5 -3.031 3.004 5.484 1.00 1.91 C ATOM 77 CZ TYR A 5 -2.965 4.395 5.246 1.00 0.81 C ATOM 78 OH TYR A 5 -3.724 5.241 5.997 1.00 1.00 O ATOM 79 H TYR A 5 0.879 0.626 1.151 1.00 0.30 H ATOM 80 HA TYR A 5 1.068 2.987 2.744 1.00 0.26 H ATOM 81 HB2 TYR A 5 -0.965 1.766 1.809 1.00 0.41 H ATOM 82 HB3 TYR A 5 -0.795 0.624 3.127 1.00 0.43 H ATOM 83 HD1 TYR A 5 -0.733 4.384 2.666 1.00 2.59 H ATOM 84 HD2 TYR A 5 -2.353 1.053 4.886 1.00 2.96 H ATOM 85 HE1 TYR A 5 -2.064 5.951 4.025 1.00 2.59 H ATOM 86 HE2 TYR A 5 -3.681 2.630 6.263 1.00 3.08 H ATOM 87 HH TYR A 5 -3.659 6.162 5.735 1.00 1.30 H ATOM 88 N GLY A 6 0.913 1.207 5.191 1.00 0.27 N ATOM 89 CA GLY A 6 1.474 0.552 6.369 1.00 0.24 C ATOM 90 C GLY A 6 1.656 -0.959 6.176 1.00 0.30 C ATOM 91 O GLY A 6 1.917 -1.669 7.142 1.00 0.64 O ATOM 92 H GLY A 6 -0.058 1.459 5.168 1.00 0.41 H ATOM 93 HA2 GLY A 6 2.445 0.993 6.601 1.00 0.23 H ATOM 94 HA3 GLY A 6 0.812 0.716 7.219 1.00 0.37 H ATOM 95 N LEU A 7 1.498 -1.468 4.949 1.00 0.22 N ATOM 96 CA LEU A 7 1.716 -2.850 4.579 1.00 0.29 C ATOM 97 C LEU A 7 2.104 -2.870 3.097 1.00 0.24 C ATOM 98 O LEU A 7 2.450 -1.836 2.530 1.00 0.36 O ATOM 99 CB LEU A 7 0.468 -3.694 4.898 1.00 0.53 C ATOM 100 CG LEU A 7 -0.759 -3.382 4.017 1.00 0.65 C ATOM 101 CD1 LEU A 7 -1.484 -4.684 3.661 1.00 0.89 C ATOM 102 CD2 LEU A 7 -1.751 -2.460 4.728 1.00 0.78 C ATOM 103 H LEU A 7 1.417 -0.860 4.150 1.00 0.38 H ATOM 104 HA LEU A 7 2.558 -3.243 5.147 1.00 0.41 H ATOM 105 HB2 LEU A 7 0.737 -4.743 4.788 1.00 0.64 H ATOM 106 HB3 LEU A 7 0.203 -3.557 5.948 1.00 0.62 H ATOM 107 HG LEU A 7 -0.446 -2.894 3.094 1.00 0.58 H ATOM 108 HD11 LEU A 7 -2.264 -4.482 2.927 1.00 1.48 H ATOM 109 HD12 LEU A 7 -0.785 -5.404 3.242 1.00 2.20 H ATOM 110 HD13 LEU A 7 -1.934 -5.117 4.555 1.00 2.04 H ATOM 111 HD21 LEU A 7 -1.274 -1.508 4.954 1.00 1.23 H ATOM 112 HD22 LEU A 7 -2.612 -2.284 4.083 1.00 1.55 H ATOM 113 HD23 LEU A 7 -2.090 -2.921 5.657 1.00 1.71 H ATOM 114 N ARG A 8 2.037 -4.045 2.473 1.00 0.33 N ATOM 115 CA ARG A 8 2.413 -4.259 1.081 1.00 0.38 C ATOM 116 C ARG A 8 1.751 -3.247 0.140 1.00 0.30 C ATOM 117 O ARG A 8 0.631 -2.800 0.401 1.00 0.27 O ATOM 118 CB ARG A 8 2.051 -5.698 0.671 1.00 0.53 C ATOM 119 CG ARG A 8 0.544 -5.980 0.830 1.00 0.79 C ATOM 120 CD ARG A 8 -0.084 -6.593 -0.428 1.00 1.27 C ATOM 121 NE ARG A 8 -1.511 -6.241 -0.545 1.00 1.07 N ATOM 122 CZ ARG A 8 -2.445 -6.929 -1.217 1.00 1.58 C ATOM 123 NH1 ARG A 8 -2.154 -8.113 -1.758 1.00 2.39 N ATOM 124 NH2 ARG A 8 -3.670 -6.425 -1.357 1.00 1.76 N ATOM 125 H ARG A 8 1.719 -4.831 3.011 1.00 0.46 H ATOM 126 HA ARG A 8 3.490 -4.118 1.020 1.00 0.46 H ATOM 127 HB2 ARG A 8 2.350 -5.858 -0.364 1.00 0.79 H ATOM 128 HB3 ARG A 8 2.613 -6.400 1.289 1.00 0.70 H ATOM 129 HG2 ARG A 8 0.396 -6.659 1.670 1.00 0.96 H ATOM 130 HG3 ARG A 8 0.018 -5.058 1.066 1.00 1.08 H ATOM 131 HD2 ARG A 8 0.423 -6.210 -1.315 1.00 1.92 H ATOM 132 HD3 ARG A 8 0.048 -7.674 -0.384 1.00 1.70 H ATOM 133 HE ARG A 8 -1.775 -5.353 -0.134 1.00 1.21 H ATOM 134 HH11 ARG A 8 -1.227 -8.495 -1.667 1.00 2.53 H ATOM 135 HH12 ARG A 8 -2.837 -8.648 -2.272 1.00 3.03 H ATOM 136 HH21 ARG A 8 -3.885 -5.485 -1.034 1.00 1.64 H ATOM 137 HH22 ARG A 8 -4.400 -6.909 -1.855 1.00 2.31 H ATOM 138 N PRO A 9 2.381 -2.942 -1.003 1.00 0.37 N ATOM 139 CA PRO A 9 1.773 -2.097 -2.005 1.00 0.44 C ATOM 140 C PRO A 9 0.636 -2.858 -2.675 1.00 0.58 C ATOM 141 O PRO A 9 0.831 -3.591 -3.639 1.00 1.18 O ATOM 142 CB PRO A 9 2.895 -1.711 -2.967 1.00 0.55 C ATOM 143 CG PRO A 9 3.860 -2.892 -2.869 1.00 0.59 C ATOM 144 CD PRO A 9 3.690 -3.397 -1.433 1.00 0.48 C ATOM 145 HA PRO A 9 1.367 -1.208 -1.532 1.00 0.43 H ATOM 146 HB2 PRO A 9 2.535 -1.556 -3.984 1.00 0.80 H ATOM 147 HB3 PRO A 9 3.388 -0.812 -2.601 1.00 0.49 H ATOM 148 HG2 PRO A 9 3.556 -3.669 -3.569 1.00 0.81 H ATOM 149 HG3 PRO A 9 4.888 -2.582 -3.065 1.00 0.64 H ATOM 150 HD2 PRO A 9 3.759 -4.484 -1.416 1.00 0.50 H ATOM 151 HD3 PRO A 9 4.456 -2.963 -0.792 1.00 0.54 H ATOM 152 N GLY A 10 -0.562 -2.683 -2.132 1.00 0.67 N ATOM 153 CA GLY A 10 -1.780 -3.263 -2.655 1.00 0.77 C ATOM 154 C GLY A 10 -2.935 -2.763 -1.806 1.00 0.91 C ATOM 155 O GLY A 10 -3.719 -3.560 -1.297 1.00 1.15 O ATOM 156 H GLY A 10 -0.604 -2.176 -1.255 1.00 1.08 H ATOM 157 HA2 GLY A 10 -1.920 -2.961 -3.694 1.00 0.70 H ATOM 158 HA3 GLY A 10 -1.724 -4.350 -2.604 1.00 0.93 H HETATM 159 N NH2 A 11 -3.003 -1.446 -1.603 1.00 0.94 N HETATM 160 HN1 NH2 A 11 -2.280 -0.839 -1.969 1.00 0.88 H HETATM 161 HN2 NH2 A 11 -3.760 -1.074 -1.050 1.00 1.13 H TER 162 NH2 A 11