HETATM 1 C ACE A 3 2.972 -3.799 -0.398 1.00 1.42 C HETATM 2 O ACE A 3 2.170 -3.298 -1.186 1.00 25.23 O HETATM 3 CH3 ACE A 3 3.778 -5.022 -0.789 1.00 11.32 C HETATM 4 H1 ACE A 3 4.864 -4.850 -0.673 1.00 11.05 H HETATM 5 H2 ACE A 3 3.493 -5.898 -0.180 1.00 31.00 H HETATM 6 H3 ACE A 3 3.597 -5.283 -1.847 1.00 0.00 H HETATM 7 N NLE A 4 3.189 -3.332 0.831 1.00 24.32 N HETATM 8 CA NLE A 4 2.471 -2.148 1.378 1.00 22.54 C HETATM 9 C NLE A 4 3.226 -0.821 1.068 1.00 51.12 C HETATM 10 O NLE A 4 4.411 -0.656 1.380 1.00 4.44 O HETATM 11 CB NLE A 4 2.268 -2.337 2.899 1.00 51.41 C HETATM 12 CG NLE A 4 1.259 -1.363 3.554 1.00 53.53 C HETATM 13 CD NLE A 4 1.048 -1.586 5.064 1.00 13.25 C HETATM 14 CE NLE A 4 2.241 -1.165 5.934 1.00 21.12 C HETATM 15 H NLE A 4 3.947 -3.800 1.334 1.00 73.41 H HETATM 16 HA NLE A 4 1.456 -2.125 0.929 1.00 13.34 H HETATM 17 HB2 NLE A 4 3.247 -2.257 3.400 1.00 12.25 H HETATM 18 HB3 NLE A 4 1.912 -3.363 3.087 1.00 64.43 H HETATM 19 HG2 NLE A 4 0.283 -1.469 3.044 1.00 24.40 H HETATM 20 HG3 NLE A 4 1.560 -0.311 3.377 1.00 61.35 H HETATM 21 HD2 NLE A 4 0.787 -2.644 5.263 1.00 34.12 H HETATM 22 HD3 NLE A 4 0.162 -1.008 5.390 1.00 2.42 H HETATM 23 HE1 NLE A 4 3.146 -1.762 5.718 1.00 35.54 H HETATM 24 HE2 NLE A 4 2.504 -0.101 5.783 1.00 13.20 H HETATM 25 HE3 NLE A 4 2.019 -1.293 7.010 1.00 14.24 H ATOM 26 N ASP A 5 2.502 0.123 0.462 1.00 42.23 N ATOM 27 CA ASP A 5 3.074 1.392 -0.055 1.00 14.33 C ATOM 28 C ASP A 5 2.238 2.673 0.315 1.00 70.04 C ATOM 29 O ASP A 5 1.007 2.628 0.216 1.00 71.01 O ATOM 30 CB ASP A 5 3.305 1.231 -1.581 1.00 73.01 C ATOM 31 CG ASP A 5 2.114 0.970 -2.526 1.00 3.02 C ATOM 32 OD1 ASP A 5 1.278 1.848 -2.741 1.00 41.31 O ATOM 33 H ASP A 5 1.605 -0.240 0.117 1.00 62.10 H ATOM 34 HA ASP A 5 4.084 1.519 0.374 1.00 60.50 H ATOM 35 HB2 ASP A 5 3.774 2.156 -1.940 1.00 0.00 H ATOM 36 HB3 ASP A 5 4.085 0.458 -1.725 1.00 72.20 H ATOM 37 N PRO A 6 2.835 3.854 0.676 1.00 64.04 N ATOM 38 CA PRO A 6 2.111 5.161 0.701 1.00 44.43 C ATOM 39 C PRO A 6 1.444 5.607 -0.659 1.00 31.44 C ATOM 40 O PRO A 6 2.109 5.452 -1.691 1.00 1.02 O ATOM 41 CB PRO A 6 3.220 6.146 1.131 1.00 53.11 C ATOM 42 CG PRO A 6 4.249 5.297 1.874 1.00 4.15 C ATOM 43 CD PRO A 6 4.240 3.970 1.118 1.00 41.55 C ATOM 44 HA PRO A 6 1.374 5.105 1.521 1.00 15.04 H ATOM 45 HB2 PRO A 6 3.707 6.614 0.252 1.00 0.00 H ATOM 46 HB3 PRO A 6 2.829 6.975 1.751 1.00 62.32 H ATOM 47 HG2 PRO A 6 5.251 5.763 1.901 1.00 0.00 H ATOM 48 HG3 PRO A 6 3.934 5.143 2.926 1.00 31.02 H ATOM 49 HD2 PRO A 6 4.921 3.997 0.244 1.00 0.00 H ATOM 50 HD3 PRO A 6 4.561 3.145 1.783 1.00 72.34 H ATOM 51 N PRO A 7 0.197 6.168 -0.748 1.00 22.14 N ATOM 52 CA PRO A 7 -0.662 6.537 0.415 1.00 10.30 C ATOM 53 C PRO A 7 -1.669 5.424 0.878 1.00 31.43 C ATOM 54 O PRO A 7 -2.894 5.535 0.743 1.00 11.54 O ATOM 55 CB PRO A 7 -1.330 7.816 -0.139 1.00 73.35 C ATOM 56 CG PRO A 7 -1.521 7.554 -1.635 1.00 73.14 C ATOM 57 CD PRO A 7 -0.293 6.734 -2.025 1.00 50.35 C ATOM 58 HA PRO A 7 -0.060 6.840 1.293 1.00 70.33 H ATOM 59 HB2 PRO A 7 -2.277 8.073 0.373 1.00 0.00 H ATOM 60 HB3 PRO A 7 -0.659 8.686 0.007 1.00 33.33 H ATOM 61 HG2 PRO A 7 -2.440 6.965 -1.807 1.00 0.00 H ATOM 62 HG3 PRO A 7 -1.616 8.487 -2.224 1.00 23.41 H ATOM 63 HD2 PRO A 7 -0.534 5.939 -2.758 1.00 0.00 H ATOM 64 HD3 PRO A 7 0.481 7.379 -2.483 1.00 41.43 H HETATM 65 N DPN A 8 -1.123 4.345 1.454 1.00 0.00 N HETATM 66 CA DPN A 8 -1.912 3.232 2.043 1.00 0.00 C HETATM 67 C DPN A 8 -2.549 2.311 0.957 1.00 0.00 C HETATM 68 O DPN A 8 -3.773 2.298 0.803 1.00 0.00 O HETATM 69 CB DPN A 8 -0.968 2.490 3.041 1.00 0.00 C HETATM 70 CG DPN A 8 -1.678 1.552 4.028 1.00 0.00 C HETATM 71 CD1 DPN A 8 -1.974 1.991 5.323 1.00 0.00 C HETATM 72 CD2 DPN A 8 -2.028 0.252 3.648 1.00 0.00 C HETATM 73 CE1 DPN A 8 -2.610 1.141 6.224 1.00 0.00 C HETATM 74 CE2 DPN A 8 -2.667 -0.596 4.548 1.00 0.00 C HETATM 75 CZ DPN A 8 -2.957 -0.152 5.836 1.00 0.00 C HETATM 76 H DPN A 8 -0.149 4.195 1.162 1.00 0.00 H HETATM 77 HA DPN A 8 -2.746 3.666 2.631 1.00 0.00 H HETATM 78 HB2 DPN A 8 -0.366 3.223 3.604 1.00 0.00 H HETATM 79 HB3 DPN A 8 -0.195 1.920 2.490 1.00 0.00 H HETATM 80 HD1 DPN A 8 -1.712 2.992 5.637 1.00 0.00 H HETATM 81 HD2 DPN A 8 -1.804 -0.107 2.653 1.00 0.00 H HETATM 82 HE1 DPN A 8 -2.830 1.489 7.222 1.00 0.00 H HETATM 83 HE2 DPN A 8 -2.931 -1.597 4.242 1.00 0.00 H HETATM 84 HZ DPN A 8 -3.449 -0.812 6.536 1.00 0.00 H ATOM 85 N ARG A 9 -1.719 1.566 0.208 1.00 61.01 N ATOM 86 CA ARG A 9 -2.170 0.583 -0.807 1.00 53.23 C ATOM 87 C ARG A 9 -1.325 -0.722 -0.704 1.00 34.42 C ATOM 88 O ARG A 9 -0.126 -0.710 -0.405 1.00 75.42 O ATOM 89 CB ARG A 9 -2.100 1.227 -2.226 1.00 42.11 C ATOM 90 CG ARG A 9 -3.368 1.120 -3.114 1.00 51.03 C ATOM 91 CD ARG A 9 -4.723 1.605 -2.533 1.00 32.53 C ATOM 92 NE ARG A 9 -4.638 2.904 -1.801 1.00 61.34 N ATOM 93 CZ ARG A 9 -4.886 4.114 -2.290 1.00 21.04 C ATOM 94 NH1 ARG A 9 -5.309 4.329 -3.510 1.00 62.52 N ATOM 95 NH2 ARG A 9 -4.699 5.143 -1.515 1.00 5.43 N ATOM 96 H ARG A 9 -0.722 1.797 0.344 1.00 0.22 H ATOM 97 HA ARG A 9 -3.221 0.310 -0.578 1.00 25.44 H ATOM 98 HB2 ARG A 9 -1.849 2.300 -2.150 1.00 0.00 H ATOM 99 HB3 ARG A 9 -1.236 0.817 -2.786 1.00 63.23 H ATOM 100 HG2 ARG A 9 -3.164 1.684 -4.044 1.00 0.00 H ATOM 101 HG3 ARG A 9 -3.479 0.071 -3.449 1.00 34.21 H ATOM 102 HD2 ARG A 9 -5.504 1.609 -3.319 1.00 0.00 H ATOM 103 HD3 ARG A 9 -5.093 0.843 -1.819 1.00 22.22 H ATOM 104 HE ARG A 9 -4.322 2.897 -0.813 1.00 0.00 H ATOM 105 HH11 ARG A 9 -5.418 3.479 -4.066 1.00 0.00 H ATOM 106 HH12 ARG A 9 -5.478 5.290 -3.808 1.00 0.00 H ATOM 107 HH21 ARG A 9 -4.274 4.973 -0.590 1.00 0.00 H ATOM 108 HH22 ARG A 9 -4.908 6.063 -1.902 1.00 0.00 H ATOM 109 N TRP A 10 -1.980 -1.854 -0.981 1.00 0.00 N ATOM 110 CA TRP A 10 -1.334 -3.189 -0.988 1.00 0.00 C ATOM 111 C TRP A 10 -1.225 -3.730 -2.445 1.00 0.00 C ATOM 112 O TRP A 10 -2.203 -3.798 -3.198 1.00 0.00 O ATOM 113 CB TRP A 10 -2.154 -4.117 -0.060 1.00 0.00 C ATOM 114 CG TRP A 10 -1.662 -5.567 0.016 1.00 0.00 C ATOM 115 CD1 TRP A 10 -2.175 -6.614 -0.769 1.00 0.00 C ATOM 116 CD2 TRP A 10 -0.594 -6.101 0.706 1.00 0.00 C ATOM 117 NE1 TRP A 10 -1.443 -7.807 -0.594 1.00 0.00 N ATOM 118 CE2 TRP A 10 -0.466 -7.461 0.328 1.00 0.00 C ATOM 119 CE3 TRP A 10 0.317 -5.517 1.617 1.00 0.00 C ATOM 120 CZ2 TRP A 10 0.583 -8.247 0.860 1.00 0.00 C ATOM 121 CZ3 TRP A 10 1.341 -6.312 2.134 1.00 0.00 C ATOM 122 CH2 TRP A 10 1.474 -7.656 1.760 1.00 0.00 C ATOM 123 H TRP A 10 -2.903 -1.704 -1.395 1.00 0.00 H ATOM 124 HA TRP A 10 -0.322 -3.126 -0.536 1.00 0.00 H ATOM 125 HB2 TRP A 10 -2.157 -3.695 0.957 1.00 0.00 H ATOM 126 HB3 TRP A 10 -3.207 -4.118 -0.389 1.00 0.00 H ATOM 127 HD1 TRP A 10 -2.988 -6.466 -1.463 1.00 0.00 H ATOM 128 HE1 TRP A 10 -1.615 -8.729 -1.010 1.00 0.00 H ATOM 129 HE3 TRP A 10 0.219 -4.477 1.895 1.00 0.00 H ATOM 130 HZ2 TRP A 10 0.695 -9.282 0.572 1.00 0.00 H ATOM 131 HZ3 TRP A 10 2.047 -5.884 2.831 1.00 0.00 H ATOM 132 HH2 TRP A 10 2.279 -8.246 2.175 1.00 0.00 H ATOM 133 N LYS A 11 -0.017 -4.185 -2.780 1.00 74.43 N ATOM 134 CA LYS A 11 0.292 -4.840 -4.074 1.00 4.20 C ATOM 135 C LYS A 11 1.307 -6.017 -3.895 1.00 11.04 C ATOM 136 O LYS A 11 2.466 -5.981 -4.299 1.00 35.41 O ATOM 137 CB LYS A 11 0.684 -3.732 -5.087 1.00 41.10 C ATOM 138 CG LYS A 11 2.001 -2.949 -4.851 1.00 44.10 C ATOM 139 CD LYS A 11 1.923 -1.464 -5.277 1.00 33.11 C ATOM 140 CE LYS A 11 1.210 -0.530 -4.272 1.00 70.12 C ATOM 141 NZ LYS A 11 2.105 -0.217 -3.136 1.00 43.51 N ATOM 142 H LYS A 11 0.722 -3.856 -2.145 1.00 20.44 H ATOM 143 HA LYS A 11 -0.628 -5.306 -4.480 1.00 50.52 H ATOM 144 HB2 LYS A 11 0.736 -4.189 -6.084 1.00 0.00 H ATOM 145 HB3 LYS A 11 -0.166 -3.027 -5.147 1.00 63.23 H ATOM 146 HG2 LYS A 11 2.312 -3.018 -3.792 1.00 0.00 H ATOM 147 HG3 LYS A 11 2.809 -3.458 -5.409 1.00 60.25 H ATOM 148 HD2 LYS A 11 2.944 -1.085 -5.476 1.00 0.00 H ATOM 149 HD3 LYS A 11 1.417 -1.397 -6.259 1.00 13.13 H ATOM 150 HE2 LYS A 11 0.904 0.395 -4.802 1.00 0.00 H ATOM 151 HE3 LYS A 11 0.270 -0.984 -3.900 1.00 35.55 H ATOM 152 HZ1 LYS A 11 2.816 -0.874 -2.803 1.00 44.51 H HETATM 153 N NH2 A 12 0.920 -7.125 -3.290 1.00 24.35 N HETATM 154 HN1 NH2 A 12 0.033 -7.082 -2.775 1.00 71.12 H HETATM 155 HN2 NH2 A 12 1.679 -7.801 -3.169 1.00 14.20 H TER 156 NH2 A 12