HETATM 1 C ACE A 3 0.173 -4.778 1.689 1.00 1.42 C HETATM 2 O ACE A 3 -0.510 -4.932 0.679 1.00 25.23 O HETATM 3 CH3 ACE A 3 0.621 -5.971 2.509 1.00 11.32 C HETATM 4 H1 ACE A 3 0.214 -5.928 3.536 1.00 11.05 H HETATM 5 H2 ACE A 3 0.259 -6.910 2.052 1.00 31.00 H HETATM 6 H3 ACE A 3 1.722 -6.032 2.568 1.00 0.00 H HETATM 7 N NLE A 4 0.565 -3.587 2.144 1.00 24.32 N HETATM 8 CA NLE A 4 0.105 -2.303 1.557 1.00 22.54 C HETATM 9 C NLE A 4 1.213 -1.205 1.551 1.00 51.12 C HETATM 10 O NLE A 4 1.861 -0.935 2.568 1.00 4.44 O HETATM 11 CB NLE A 4 -1.193 -1.831 2.263 1.00 51.41 C HETATM 12 CG NLE A 4 -1.212 -1.700 3.806 1.00 53.53 C HETATM 13 CD NLE A 4 -2.595 -1.279 4.333 1.00 13.25 C HETATM 14 CE NLE A 4 -2.611 -1.145 5.859 1.00 21.12 C HETATM 15 H NLE A 4 0.938 -3.600 3.094 1.00 73.41 H HETATM 16 HA NLE A 4 -0.169 -2.490 0.499 1.00 13.34 H HETATM 17 HB2 NLE A 4 -1.996 -2.515 1.954 1.00 12.25 H HETATM 18 HB3 NLE A 4 -1.479 -0.866 1.822 1.00 64.43 H HETATM 19 HG2 NLE A 4 -0.443 -0.973 4.131 1.00 24.40 H HETATM 20 HG3 NLE A 4 -0.925 -2.662 4.271 1.00 61.35 H HETATM 21 HD2 NLE A 4 -3.363 -2.013 4.018 1.00 34.12 H HETATM 22 HD3 NLE A 4 -2.898 -0.317 3.878 1.00 2.42 H HETATM 23 HE1 NLE A 4 -2.368 -2.101 6.359 1.00 35.54 H HETATM 24 HE2 NLE A 4 -1.883 -0.389 6.210 1.00 13.20 H HETATM 25 HE3 NLE A 4 -3.607 -0.829 6.222 1.00 14.24 H ATOM 26 N ASP A 5 1.395 -0.545 0.394 1.00 42.23 N ATOM 27 CA ASP A 5 2.406 0.538 0.220 1.00 14.33 C ATOM 28 C ASP A 5 1.741 1.949 0.276 1.00 70.04 C ATOM 29 O ASP A 5 0.765 2.221 -0.435 1.00 71.01 O ATOM 30 CB ASP A 5 3.151 0.352 -1.128 1.00 73.01 C ATOM 31 CG ASP A 5 4.080 -0.863 -1.213 1.00 3.02 C ATOM 32 OD1 ASP A 5 5.122 -0.886 -0.558 1.00 41.31 O ATOM 33 H ASP A 5 0.708 -0.785 -0.337 1.00 62.10 H ATOM 34 HA ASP A 5 3.173 0.469 1.022 1.00 60.50 H ATOM 35 HB2 ASP A 5 2.440 0.371 -1.971 1.00 0.00 H ATOM 36 HB3 ASP A 5 3.790 1.232 -1.303 1.00 72.20 H ATOM 37 N TRP A 6 2.299 2.856 1.103 1.00 0.00 N ATOM 38 CA TRP A 6 1.781 4.245 1.287 1.00 0.00 C ATOM 39 C TRP A 6 1.741 5.107 -0.038 1.00 0.00 C ATOM 40 O TRP A 6 2.728 5.065 -0.784 1.00 0.00 O ATOM 41 CB TRP A 6 2.666 4.886 2.398 1.00 0.00 C ATOM 42 CG TRP A 6 2.205 6.257 2.917 1.00 0.00 C ATOM 43 CD1 TRP A 6 2.518 7.507 2.337 1.00 0.00 C ATOM 44 CD2 TRP A 6 1.328 6.542 3.951 1.00 0.00 C ATOM 45 NE1 TRP A 6 1.857 8.568 2.985 1.00 0.00 N ATOM 46 CE2 TRP A 6 1.121 7.945 3.977 1.00 0.00 C ATOM 47 CE3 TRP A 6 0.630 5.698 4.851 1.00 0.00 C ATOM 48 CZ2 TRP A 6 0.214 8.511 4.903 1.00 0.00 C ATOM 49 CZ3 TRP A 6 -0.255 6.280 5.759 1.00 0.00 C ATOM 50 CH2 TRP A 6 -0.462 7.664 5.785 1.00 0.00 C ATOM 51 H TRP A 6 3.134 2.526 1.599 1.00 0.00 H ATOM 52 HA TRP A 6 0.755 4.144 1.688 1.00 0.00 H ATOM 53 HB2 TRP A 6 2.733 4.205 3.270 1.00 0.00 H ATOM 54 HB3 TRP A 6 3.710 4.976 2.037 1.00 0.00 H ATOM 55 HD1 TRP A 6 3.118 7.627 1.445 1.00 0.00 H ATOM 56 HE1 TRP A 6 1.877 9.568 2.755 1.00 0.00 H ATOM 57 HE3 TRP A 6 0.775 4.630 4.832 1.00 0.00 H ATOM 58 HZ2 TRP A 6 0.040 9.577 4.921 1.00 0.00 H ATOM 59 HZ3 TRP A 6 -0.796 5.650 6.450 1.00 0.00 H ATOM 60 HH2 TRP A 6 -1.159 8.084 6.496 1.00 0.00 H ATOM 61 N PRO A 7 0.668 5.885 -0.384 1.00 22.14 N ATOM 62 CA PRO A 7 -0.490 6.195 0.520 1.00 10.30 C ATOM 63 C PRO A 7 -1.689 5.190 0.641 1.00 31.43 C ATOM 64 O PRO A 7 -2.669 5.507 1.318 1.00 11.54 O ATOM 65 CB PRO A 7 -0.904 7.573 -0.032 1.00 73.35 C ATOM 66 CG PRO A 7 -0.623 7.505 -1.533 1.00 73.14 C ATOM 67 CD PRO A 7 0.679 6.710 -1.612 1.00 50.35 C ATOM 68 HA PRO A 7 -0.150 6.356 1.555 1.00 70.33 H ATOM 69 HB2 PRO A 7 -1.951 7.845 0.198 1.00 0.00 H ATOM 70 HB3 PRO A 7 -0.281 8.364 0.433 1.00 33.33 H ATOM 71 HG2 PRO A 7 -1.437 6.964 -2.053 1.00 0.00 H ATOM 72 HG3 PRO A 7 -0.542 8.504 -2.002 1.00 23.41 H ATOM 73 HD2 PRO A 7 0.731 6.089 -2.527 1.00 0.00 H ATOM 74 HD3 PRO A 7 1.557 7.385 -1.618 1.00 41.43 H HETATM 75 N 4J2 A 8 -1.605 3.989 0.048 1.00 55.11 N HETATM 76 CA 4J2 A 8 -2.634 2.918 0.195 1.00 24.43 C HETATM 77 CB 4J2 A 8 -2.140 1.805 1.174 1.00 10.34 C HETATM 78 CG 4J2 A 8 -1.866 2.161 2.640 1.00 12.23 C HETATM 79 CD1 4J2 A 8 -2.893 2.661 3.437 1.00 0.11 C HETATM 80 CD2 4J2 A 8 -0.628 1.863 3.207 1.00 72.21 C HETATM 81 CE1 4J2 A 8 -2.697 2.885 4.796 1.00 51.02 C HETATM 82 CZ1 4J2 A 8 -1.466 2.585 5.383 1.00 50.12 C HETATM 83 CZ2 4J2 A 8 -1.248 2.767 6.750 1.00 30.24 C HETATM 84 CZ3 4J2 A 8 -0.015 2.445 7.310 1.00 44.51 C HETATM 85 CE2 4J2 A 8 -0.406 2.059 4.567 1.00 75.11 C HETATM 86 CE3 4J2 A 8 0.818 1.736 5.155 1.00 3.32 C HETATM 87 CE4 4J2 A 8 1.009 1.932 6.519 1.00 51.13 C HETATM 88 HE1 4J2 A 8 -3.517 3.271 5.386 1.00 0.00 H HETATM 89 C 4J2 A 8 -3.019 2.258 -1.167 1.00 22.34 C HETATM 90 HE3 4J2 A 8 1.627 1.326 4.565 1.00 0.00 H HETATM 91 O 4J2 A 8 -4.204 2.148 -1.494 1.00 52.33 O HETATM 92 HE4 4J2 A 8 1.959 1.682 6.969 1.00 0.00 H HETATM 93 H 4J2 A 8 -0.692 3.809 -0.388 1.00 71.33 H HETATM 94 HA 4J2 A 8 -3.577 3.339 0.598 1.00 41.44 H HETATM 95 HB2 4J2 A 8 -2.882 0.989 1.178 1.00 40.54 H HETATM 96 HB1 4J2 A 8 -1.247 1.317 0.742 1.00 60.00 H HETATM 97 HD1 4J2 A 8 -3.854 2.843 2.981 1.00 0.00 H HETATM 98 HD2 4J2 A 8 0.143 1.430 2.588 1.00 0.00 H HETATM 99 HZ2 4J2 A 8 -2.028 3.157 7.390 1.00 0.00 H HETATM 100 HZ23 4J2 A 8 0.146 2.590 8.369 1.00 0.00 H ATOM 101 N ARG A 9 -2.026 1.717 -1.891 1.00 0.00 N ATOM 102 CA ARG A 9 -2.222 0.562 -2.797 1.00 0.00 C ATOM 103 C ARG A 9 -1.963 -0.793 -2.050 1.00 0.00 C ATOM 104 O ARG A 9 -1.184 -0.867 -1.092 1.00 0.00 O ATOM 105 CB ARG A 9 -1.293 0.734 -4.027 1.00 0.00 C ATOM 106 CG ARG A 9 0.243 0.763 -3.771 1.00 0.00 C ATOM 107 CD ARG A 9 1.113 0.153 -4.886 1.00 0.00 C ATOM 108 NE ARG A 9 0.889 -1.317 -4.951 1.00 0.00 N ATOM 109 CZ ARG A 9 1.478 -2.157 -5.796 1.00 0.00 C ATOM 110 NH1 ARG A 9 2.409 -1.815 -6.647 1.00 0.00 N ATOM 111 NH2 ARG A 9 1.087 -3.390 -5.774 1.00 0.00 N ATOM 112 H ARG A 9 -1.123 1.802 -1.414 1.00 0.00 H ATOM 113 HA ARG A 9 -3.267 0.560 -3.173 1.00 0.00 H ATOM 114 HB2 ARG A 9 -1.521 -0.105 -4.699 1.00 0.00 H ATOM 115 HB3 ARG A 9 -1.600 1.622 -4.605 1.00 0.00 H ATOM 116 HG2 ARG A 9 0.560 1.805 -3.572 1.00 0.00 H ATOM 117 HG3 ARG A 9 0.469 0.225 -2.833 1.00 0.00 H ATOM 118 HD2 ARG A 9 0.878 0.629 -5.859 1.00 0.00 H ATOM 119 HD3 ARG A 9 2.181 0.365 -4.683 1.00 0.00 H ATOM 120 HH11 ARG A 9 2.657 -0.825 -6.614 1.00 0.00 H ATOM 121 HH12 ARG A 9 2.779 -2.549 -7.251 1.00 0.00 H ATOM 122 HH21 ARG A 9 0.294 -3.539 -5.135 1.00 0.00 H ATOM 123 HH22 ARG A 9 1.496 -4.034 -6.451 1.00 0.00 H ATOM 124 N TRP A 10 -2.597 -1.871 -2.527 1.00 0.00 N ATOM 125 CA TRP A 10 -2.392 -3.237 -1.977 1.00 0.00 C ATOM 126 C TRP A 10 -1.355 -4.051 -2.824 1.00 0.00 C ATOM 127 O TRP A 10 -1.369 -4.038 -4.060 1.00 0.00 O ATOM 128 CB TRP A 10 -3.802 -3.884 -1.898 1.00 0.00 C ATOM 129 CG TRP A 10 -3.842 -5.233 -1.185 1.00 0.00 C ATOM 130 CD1 TRP A 10 -3.837 -6.469 -1.839 1.00 0.00 C ATOM 131 CD2 TRP A 10 -3.789 -5.517 0.165 1.00 0.00 C ATOM 132 NE1 TRP A 10 -3.756 -7.546 -0.930 1.00 0.00 N ATOM 133 CE2 TRP A 10 -3.720 -6.925 0.311 1.00 0.00 C ATOM 134 CE3 TRP A 10 -3.761 -4.671 1.299 1.00 0.00 C ATOM 135 CZ2 TRP A 10 -3.598 -7.496 1.600 1.00 0.00 C ATOM 136 CZ3 TRP A 10 -3.640 -5.257 2.561 1.00 0.00 C ATOM 137 CH2 TRP A 10 -3.557 -6.648 2.709 1.00 0.00 C ATOM 138 H TRP A 10 -3.060 -1.723 -3.427 1.00 0.00 H ATOM 139 HA TRP A 10 -2.023 -3.165 -0.933 1.00 0.00 H ATOM 140 HB2 TRP A 10 -4.503 -3.218 -1.370 1.00 0.00 H ATOM 141 HB3 TRP A 10 -4.228 -3.991 -2.911 1.00 0.00 H ATOM 142 HD1 TRP A 10 -3.834 -6.535 -2.917 1.00 0.00 H ATOM 143 HE1 TRP A 10 -3.758 -8.552 -1.127 1.00 0.00 H ATOM 144 HE3 TRP A 10 -3.827 -3.600 1.184 1.00 0.00 H ATOM 145 HZ2 TRP A 10 -3.533 -8.568 1.721 1.00 0.00 H ATOM 146 HZ3 TRP A 10 -3.606 -4.625 3.438 1.00 0.00 H ATOM 147 HH2 TRP A 10 -3.462 -7.071 3.699 1.00 0.00 H ATOM 148 N LYS A 11 -0.478 -4.801 -2.138 1.00 74.43 N ATOM 149 CA LYS A 11 0.538 -5.682 -2.784 1.00 4.20 C ATOM 150 C LYS A 11 -0.024 -7.008 -3.393 1.00 11.04 C ATOM 151 O LYS A 11 0.202 -7.314 -4.560 1.00 35.41 O ATOM 152 CB LYS A 11 1.685 -5.947 -1.768 1.00 41.10 C ATOM 153 CG LYS A 11 2.589 -4.748 -1.392 1.00 44.10 C ATOM 154 CD LYS A 11 3.523 -4.280 -2.534 1.00 33.11 C ATOM 155 CE LYS A 11 4.452 -3.113 -2.153 1.00 70.12 C ATOM 156 NZ LYS A 11 3.690 -1.854 -2.019 1.00 43.51 N ATOM 157 H LYS A 11 -0.529 -4.718 -1.109 1.00 20.44 H ATOM 158 HA LYS A 11 0.987 -5.142 -3.634 1.00 50.52 H ATOM 159 HB2 LYS A 11 1.250 -6.368 -0.841 1.00 0.00 H ATOM 160 HB3 LYS A 11 2.333 -6.755 -2.153 1.00 63.23 H ATOM 161 HG2 LYS A 11 1.965 -3.906 -1.034 1.00 0.00 H ATOM 162 HG3 LYS A 11 3.205 -5.031 -0.516 1.00 60.25 H ATOM 163 HD2 LYS A 11 4.150 -5.132 -2.855 1.00 0.00 H ATOM 164 HD3 LYS A 11 2.937 -4.004 -3.432 1.00 13.13 H ATOM 165 HE2 LYS A 11 5.010 -3.359 -1.227 1.00 0.00 H ATOM 166 HE3 LYS A 11 5.225 -2.981 -2.936 1.00 35.55 H ATOM 167 HZ1 LYS A 11 2.794 -1.700 -2.495 1.00 44.51 H HETATM 168 N NH2 A 12 -0.734 -7.858 -2.673 1.00 24.35 N HETATM 169 HN1 NH2 A 12 -1.077 -7.510 -1.772 1.00 71.12 H HETATM 170 HN2 NH2 A 12 -1.089 -8.647 -3.220 1.00 14.20 H TER 171 NH2 A 12