HETATM 1 C ACE A 3 0.651 -4.339 1.070 1.00 1.42 C HETATM 2 O ACE A 3 0.567 -4.035 -0.119 1.00 25.23 O HETATM 3 CH3 ACE A 3 1.058 -5.740 1.484 1.00 11.32 C HETATM 4 H1 ACE A 3 0.221 -6.271 1.971 1.00 11.05 H HETATM 5 H2 ACE A 3 1.359 -6.334 0.602 1.00 31.00 H HETATM 6 H3 ACE A 3 1.917 -5.727 2.179 1.00 0.00 H HETATM 7 N NLE A 4 0.389 -3.498 2.069 1.00 24.32 N HETATM 8 CA NLE A 4 -0.067 -2.101 1.851 1.00 22.54 C HETATM 9 C NLE A 4 1.104 -1.076 1.717 1.00 51.12 C HETATM 10 O NLE A 4 1.881 -0.843 2.648 1.00 4.44 O HETATM 11 CB NLE A 4 -1.104 -1.716 2.937 1.00 51.41 C HETATM 12 CG NLE A 4 -0.679 -1.726 4.429 1.00 53.53 C HETATM 13 CD NLE A 4 -1.783 -1.256 5.397 1.00 13.25 C HETATM 14 CE NLE A 4 -2.944 -2.248 5.560 1.00 21.12 C HETATM 15 H NLE A 4 0.451 -3.899 3.007 1.00 73.41 H HETATM 16 HA NLE A 4 -0.652 -2.083 0.905 1.00 13.34 H HETATM 17 HB2 NLE A 4 -1.978 -2.368 2.799 1.00 12.25 H HETATM 18 HB3 NLE A 4 -1.490 -0.714 2.695 1.00 64.43 H HETATM 19 HG2 NLE A 4 0.197 -1.064 4.560 1.00 24.40 H HETATM 20 HG3 NLE A 4 -0.325 -2.731 4.729 1.00 61.35 H HETATM 21 HD2 NLE A 4 -2.173 -0.269 5.081 1.00 34.12 H HETATM 22 HD3 NLE A 4 -1.330 -1.072 6.391 1.00 2.42 H HETATM 23 HE1 NLE A 4 -2.593 -3.238 5.906 1.00 35.54 H HETATM 24 HE2 NLE A 4 -3.679 -1.883 6.301 1.00 13.20 H HETATM 25 HE3 NLE A 4 -3.493 -2.402 4.612 1.00 14.24 H ATOM 26 N ASP A 5 1.196 -0.449 0.539 1.00 42.23 N ATOM 27 CA ASP A 5 2.269 0.530 0.205 1.00 14.33 C ATOM 28 C ASP A 5 1.705 1.982 0.260 1.00 70.04 C ATOM 29 O ASP A 5 0.752 2.303 -0.458 1.00 71.01 O ATOM 30 CB ASP A 5 2.813 0.197 -1.210 1.00 73.01 C ATOM 31 CG ASP A 5 3.706 -1.046 -1.300 1.00 3.02 C ATOM 32 OD1 ASP A 5 4.918 -0.947 -1.110 1.00 41.31 O ATOM 33 H ASP A 5 0.508 -0.771 -0.161 1.00 62.10 H ATOM 34 HA ASP A 5 3.116 0.442 0.920 1.00 60.50 H ATOM 35 HB2 ASP A 5 1.988 0.143 -1.948 1.00 0.00 H ATOM 36 HB3 ASP A 5 3.429 1.042 -1.565 1.00 72.20 H ATOM 37 N TRP A 6 2.293 2.862 1.095 1.00 0.00 N ATOM 38 CA TRP A 6 1.804 4.262 1.300 1.00 0.00 C ATOM 39 C TRP A 6 1.709 5.130 -0.020 1.00 0.00 C ATOM 40 O TRP A 6 2.676 5.113 -0.792 1.00 0.00 O ATOM 41 CB TRP A 6 2.733 4.908 2.371 1.00 0.00 C ATOM 42 CG TRP A 6 2.292 6.289 2.887 1.00 0.00 C ATOM 43 CD1 TRP A 6 2.573 7.528 2.266 1.00 0.00 C ATOM 44 CD2 TRP A 6 1.465 6.595 3.956 1.00 0.00 C ATOM 45 NE1 TRP A 6 1.941 8.602 2.923 1.00 0.00 N ATOM 46 CE2 TRP A 6 1.256 7.999 3.964 1.00 0.00 C ATOM 47 CE3 TRP A 6 0.818 5.770 4.909 1.00 0.00 C ATOM 48 CZ2 TRP A 6 0.398 8.584 4.923 1.00 0.00 C ATOM 49 CZ3 TRP A 6 -0.019 6.370 5.851 1.00 0.00 C ATOM 50 CH2 TRP A 6 -0.227 7.756 5.857 1.00 0.00 C ATOM 51 H TRP A 6 3.100 2.494 1.609 1.00 0.00 H ATOM 52 HA TRP A 6 0.799 4.171 1.751 1.00 0.00 H ATOM 53 HB2 TRP A 6 2.828 4.235 3.246 1.00 0.00 H ATOM 54 HB3 TRP A 6 3.763 4.989 1.971 1.00 0.00 H ATOM 55 HD1 TRP A 6 3.123 7.631 1.342 1.00 0.00 H ATOM 56 HE1 TRP A 6 1.948 9.597 2.671 1.00 0.00 H ATOM 57 HE3 TRP A 6 0.963 4.702 4.906 1.00 0.00 H ATOM 58 HZ2 TRP A 6 0.224 9.649 4.927 1.00 0.00 H ATOM 59 HZ3 TRP A 6 -0.519 5.757 6.585 1.00 0.00 H ATOM 60 HH2 TRP A 6 -0.886 8.190 6.596 1.00 0.00 H ATOM 61 N PRO A 7 0.610 5.888 -0.329 1.00 22.14 N ATOM 62 CA PRO A 7 -0.536 6.151 0.603 1.00 10.30 C ATOM 63 C PRO A 7 -1.718 5.120 0.704 1.00 31.43 C ATOM 64 O PRO A 7 -2.723 5.416 1.354 1.00 11.54 O ATOM 65 CB PRO A 7 -0.977 7.540 0.097 1.00 73.35 C ATOM 66 CG PRO A 7 -0.732 7.512 -1.413 1.00 73.14 C ATOM 67 CD PRO A 7 0.575 6.732 -1.543 1.00 50.35 C ATOM 68 HA PRO A 7 -0.181 6.288 1.639 1.00 70.33 H ATOM 69 HB2 PRO A 7 -2.020 7.794 0.358 1.00 0.00 H ATOM 70 HB3 PRO A 7 -0.350 8.324 0.566 1.00 33.33 H ATOM 71 HG2 PRO A 7 -1.554 6.974 -1.925 1.00 0.00 H ATOM 72 HG3 PRO A 7 -0.673 8.522 -1.858 1.00 23.41 H ATOM 73 HD2 PRO A 7 0.607 6.126 -2.469 1.00 0.00 H ATOM 74 HD3 PRO A 7 1.445 7.418 -1.565 1.00 41.43 H HETATM 75 N 4J2 A 8 -1.585 3.914 0.130 1.00 55.11 N HETATM 76 CA 4J2 A 8 -2.565 2.800 0.283 1.00 24.43 C HETATM 77 CB 4J2 A 8 -2.064 1.761 1.338 1.00 10.34 C HETATM 78 CG 4J2 A 8 -1.834 2.200 2.792 1.00 12.23 C HETATM 79 CD1 4J2 A 8 -2.882 2.741 3.532 1.00 0.11 C HETATM 80 CD2 4J2 A 8 -0.610 1.938 3.408 1.00 72.21 C HETATM 81 CE1 4J2 A 8 -2.727 3.031 4.884 1.00 51.02 C HETATM 82 CZ1 4J2 A 8 -1.515 2.757 5.522 1.00 50.12 C HETATM 83 CZ2 4J2 A 8 -1.342 2.995 6.887 1.00 30.24 C HETATM 84 CZ3 4J2 A 8 -0.129 2.696 7.502 1.00 44.51 C HETATM 85 CE2 4J2 A 8 -0.430 2.197 4.764 1.00 75.11 C HETATM 86 CE3 4J2 A 8 0.773 1.898 5.405 1.00 3.32 C HETATM 87 CE4 4J2 A 8 0.920 2.150 6.766 1.00 51.13 C HETATM 88 HE1 4J2 A 8 -3.562 3.449 5.428 1.00 0.00 H HETATM 89 C 4J2 A 8 -2.841 2.073 -1.074 1.00 22.34 C HETATM 90 HE3 4J2 A 8 1.601 1.464 4.860 1.00 0.00 H HETATM 91 O 4J2 A 8 -3.992 1.959 -1.499 1.00 52.33 O HETATM 92 HE4 4J2 A 8 1.853 1.918 7.257 1.00 0.00 H HETATM 93 H 4J2 A 8 -0.661 3.759 -0.293 1.00 71.33 H HETATM 94 HA 4J2 A 8 -3.545 3.194 0.620 1.00 41.44 H HETATM 95 HB2 4J2 A 8 -2.780 0.922 1.364 1.00 40.54 H HETATM 96 HB1 4J2 A 8 -1.143 1.285 0.956 1.00 60.00 H HETATM 97 HD1 4J2 A 8 -3.824 2.918 3.037 1.00 0.00 H HETATM 98 HD2 4J2 A 8 0.182 1.479 2.834 1.00 0.00 H HETATM 99 HZ2 4J2 A 8 -2.141 3.412 7.485 1.00 0.00 H HETATM 100 HZ23 4J2 A 8 -0.002 2.883 8.558 1.00 0.00 H ATOM 101 N ARG A 9 -1.787 1.517 -1.699 1.00 0.00 N ATOM 102 CA ARG A 9 -1.893 0.545 -2.814 1.00 0.00 C ATOM 103 C ARG A 9 -1.593 -0.884 -2.262 1.00 0.00 C ATOM 104 O ARG A 9 -0.558 -1.129 -1.628 1.00 0.00 O ATOM 105 CB ARG A 9 -0.878 0.917 -3.922 1.00 0.00 C ATOM 106 CG ARG A 9 -1.146 2.244 -4.677 1.00 0.00 C ATOM 107 CD ARG A 9 -0.099 2.576 -5.757 1.00 0.00 C ATOM 108 NE ARG A 9 -0.236 1.676 -6.933 1.00 0.00 N ATOM 109 CZ ARG A 9 0.563 1.670 -7.997 1.00 0.00 C ATOM 110 NH1 ARG A 9 1.588 2.466 -8.157 1.00 0.00 N ATOM 111 NH2 ARG A 9 0.299 0.815 -8.931 1.00 0.00 N ATOM 112 H ARG A 9 -0.905 1.661 -1.190 1.00 0.00 H ATOM 113 HA ARG A 9 -2.909 0.575 -3.263 1.00 0.00 H ATOM 114 HB2 ARG A 9 0.140 0.919 -3.495 1.00 0.00 H ATOM 115 HB3 ARG A 9 -0.856 0.102 -4.669 1.00 0.00 H ATOM 116 HG2 ARG A 9 -2.157 2.230 -5.132 1.00 0.00 H ATOM 117 HG3 ARG A 9 -1.174 3.076 -3.947 1.00 0.00 H ATOM 118 HD2 ARG A 9 -0.232 3.627 -6.082 1.00 0.00 H ATOM 119 HD3 ARG A 9 0.922 2.514 -5.328 1.00 0.00 H ATOM 120 HH11 ARG A 9 1.732 3.114 -7.380 1.00 0.00 H ATOM 121 HH12 ARG A 9 2.127 2.367 -9.017 1.00 0.00 H ATOM 122 HH21 ARG A 9 -0.518 0.241 -8.713 1.00 0.00 H ATOM 123 HH22 ARG A 9 0.905 0.800 -9.752 1.00 0.00 H ATOM 124 N TRP A 10 -2.508 -1.829 -2.508 1.00 0.00 N ATOM 125 CA TRP A 10 -2.380 -3.222 -2.015 1.00 0.00 C ATOM 126 C TRP A 10 -1.664 -4.141 -3.056 1.00 0.00 C ATOM 127 O TRP A 10 -2.127 -4.329 -4.185 1.00 0.00 O ATOM 128 CB TRP A 10 -3.802 -3.715 -1.645 1.00 0.00 C ATOM 129 CG TRP A 10 -3.850 -5.111 -1.022 1.00 0.00 C ATOM 130 CD1 TRP A 10 -4.152 -6.282 -1.730 1.00 0.00 C ATOM 131 CD2 TRP A 10 -3.518 -5.516 0.252 1.00 0.00 C ATOM 132 NE1 TRP A 10 -4.016 -7.432 -0.925 1.00 0.00 N ATOM 133 CE2 TRP A 10 -3.614 -6.928 0.303 1.00 0.00 C ATOM 134 CE3 TRP A 10 -3.104 -4.778 1.384 1.00 0.00 C ATOM 135 CZ2 TRP A 10 -3.287 -7.615 1.496 1.00 0.00 C ATOM 136 CZ3 TRP A 10 -2.791 -5.474 2.553 1.00 0.00 C ATOM 137 CH2 TRP A 10 -2.879 -6.873 2.609 1.00 0.00 C ATOM 138 H TRP A 10 -3.247 -1.548 -3.155 1.00 0.00 H ATOM 139 HA TRP A 10 -1.805 -3.218 -1.064 1.00 0.00 H ATOM 140 HB2 TRP A 10 -4.276 -3.017 -0.937 1.00 0.00 H ATOM 141 HB3 TRP A 10 -4.445 -3.697 -2.542 1.00 0.00 H ATOM 142 HD1 TRP A 10 -4.402 -6.257 -2.781 1.00 0.00 H ATOM 143 HE1 TRP A 10 -4.166 -8.413 -1.187 1.00 0.00 H ATOM 144 HE3 TRP A 10 -3.037 -3.703 1.329 1.00 0.00 H ATOM 145 HZ2 TRP A 10 -3.349 -8.692 1.544 1.00 0.00 H ATOM 146 HZ3 TRP A 10 -2.473 -4.926 3.428 1.00 0.00 H ATOM 147 HH2 TRP A 10 -2.627 -7.385 3.527 1.00 0.00 H ATOM 148 N LYS A 11 -0.568 -4.763 -2.613 1.00 74.43 N ATOM 149 CA LYS A 11 0.174 -5.792 -3.395 1.00 4.20 C ATOM 150 C LYS A 11 -0.324 -7.253 -3.142 1.00 11.04 C ATOM 151 O LYS A 11 -0.572 -8.009 -4.076 1.00 35.41 O ATOM 152 CB LYS A 11 1.685 -5.618 -3.094 1.00 41.10 C ATOM 153 CG LYS A 11 2.337 -4.363 -3.729 1.00 44.10 C ATOM 154 CD LYS A 11 3.743 -4.021 -3.192 1.00 33.11 C ATOM 155 CE LYS A 11 3.804 -3.483 -1.745 1.00 70.12 C ATOM 156 NZ LYS A 11 3.090 -2.193 -1.598 1.00 43.51 N ATOM 157 H LYS A 11 -0.229 -4.423 -1.696 1.00 20.44 H ATOM 158 HA LYS A 11 0.039 -5.613 -4.480 1.00 50.52 H ATOM 159 HB2 LYS A 11 1.836 -5.623 -1.998 1.00 0.00 H ATOM 160 HB3 LYS A 11 2.236 -6.505 -3.454 1.00 63.23 H ATOM 161 HG2 LYS A 11 2.399 -4.506 -4.824 1.00 0.00 H ATOM 162 HG3 LYS A 11 1.683 -3.480 -3.596 1.00 60.25 H ATOM 163 HD2 LYS A 11 4.394 -4.912 -3.276 1.00 0.00 H ATOM 164 HD3 LYS A 11 4.211 -3.272 -3.861 1.00 13.13 H ATOM 165 HE2 LYS A 11 3.357 -4.220 -1.051 1.00 0.00 H ATOM 166 HE3 LYS A 11 4.865 -3.407 -1.438 1.00 35.55 H ATOM 167 HZ1 LYS A 11 2.069 -2.120 -1.659 1.00 44.51 H HETATM 168 N NH2 A 12 -0.478 -7.738 -1.920 1.00 24.35 N HETATM 169 HN1 NH2 A 12 -0.471 -7.047 -1.164 1.00 71.12 H HETATM 170 HN2 NH2 A 12 -0.901 -8.670 -1.912 1.00 14.20 H TER 171 NH2 A 12