HETATM 1 C ACE A 3 2.719 -3.755 0.126 1.00 1.42 C HETATM 2 O ACE A 3 2.141 -3.313 -0.865 1.00 25.23 O HETATM 3 CH3 ACE A 3 3.379 -5.119 0.097 1.00 11.32 C HETATM 4 H1 ACE A 3 2.837 -5.837 0.739 1.00 11.05 H HETATM 5 H2 ACE A 3 3.378 -5.528 -0.928 1.00 31.00 H HETATM 6 H3 ACE A 3 4.432 -5.073 0.432 1.00 0.00 H HETATM 7 N NLE A 4 2.800 -3.095 1.280 1.00 24.32 N HETATM 8 CA NLE A 4 2.167 -1.771 1.497 1.00 22.54 C HETATM 9 C NLE A 4 2.996 -0.577 0.932 1.00 51.12 C HETATM 10 O NLE A 4 4.093 -0.265 1.406 1.00 4.44 O HETATM 11 CB NLE A 4 1.805 -1.601 2.992 1.00 51.41 C HETATM 12 CG NLE A 4 2.927 -1.666 4.061 1.00 53.53 C HETATM 13 CD NLE A 4 2.405 -1.535 5.504 1.00 13.25 C HETATM 14 CE NLE A 4 1.937 -0.121 5.880 1.00 21.12 C HETATM 15 H NLE A 4 3.273 -3.588 2.038 1.00 73.41 H HETATM 16 HA NLE A 4 1.183 -1.786 0.982 1.00 13.34 H HETATM 17 HB2 NLE A 4 1.029 -2.346 3.232 1.00 12.25 H HETATM 18 HB3 NLE A 4 1.291 -0.633 3.098 1.00 64.43 H HETATM 19 HG2 NLE A 4 3.692 -0.890 3.867 1.00 24.40 H HETATM 20 HG3 NLE A 4 3.466 -2.627 3.971 1.00 61.35 H HETATM 21 HD2 NLE A 4 3.212 -1.835 6.197 1.00 34.12 H HETATM 22 HD3 NLE A 4 1.586 -2.260 5.676 1.00 2.42 H HETATM 23 HE1 NLE A 4 2.741 0.627 5.746 1.00 35.54 H HETATM 24 HE2 NLE A 4 1.075 0.206 5.272 1.00 13.20 H HETATM 25 HE3 NLE A 4 1.618 -0.072 6.938 1.00 14.24 H ATOM 26 N ASP A 5 2.433 0.097 -0.078 1.00 42.23 N ATOM 27 CA ASP A 5 3.025 1.311 -0.691 1.00 14.33 C ATOM 28 C ASP A 5 2.270 2.629 -0.264 1.00 70.04 C ATOM 29 O ASP A 5 1.032 2.614 -0.232 1.00 71.01 O ATOM 30 CB ASP A 5 3.166 1.064 -2.215 1.00 73.01 C ATOM 31 CG ASP A 5 1.921 1.017 -3.122 1.00 3.02 C ATOM 32 OD1 ASP A 5 1.125 1.956 -3.141 1.00 41.31 O ATOM 33 H ASP A 5 1.549 -0.302 -0.421 1.00 62.10 H ATOM 34 HA ASP A 5 4.068 1.399 -0.332 1.00 60.50 H ATOM 35 HB2 ASP A 5 3.786 1.878 -2.614 1.00 0.00 H ATOM 36 HB3 ASP A 5 3.784 0.156 -2.357 1.00 72.20 H ATOM 37 N PRO A 6 2.937 3.774 0.082 1.00 64.04 N ATOM 38 CA PRO A 6 2.241 4.985 0.606 1.00 44.43 C ATOM 39 C PRO A 6 1.399 5.796 -0.452 1.00 31.44 C ATOM 40 O PRO A 6 1.824 5.872 -1.612 1.00 1.02 O ATOM 41 CB PRO A 6 3.413 5.793 1.199 1.00 53.11 C ATOM 42 CG PRO A 6 4.632 5.398 0.362 1.00 4.15 C ATOM 43 CD PRO A 6 4.408 3.916 0.065 1.00 41.55 C ATOM 44 HA PRO A 6 1.586 4.667 1.438 1.00 15.04 H ATOM 45 HB2 PRO A 6 3.239 6.886 1.203 1.00 0.00 H ATOM 46 HB3 PRO A 6 3.574 5.502 2.256 1.00 62.32 H ATOM 47 HG2 PRO A 6 4.646 5.977 -0.583 1.00 0.00 H ATOM 48 HG3 PRO A 6 5.590 5.592 0.878 1.00 31.02 H ATOM 49 HD2 PRO A 6 4.853 3.632 -0.909 1.00 0.00 H ATOM 50 HD3 PRO A 6 4.870 3.284 0.851 1.00 72.34 H ATOM 51 N PRO A 7 0.223 6.417 -0.125 1.00 22.14 N ATOM 52 CA PRO A 7 -0.323 6.538 1.265 1.00 10.30 C ATOM 53 C PRO A 7 -1.053 5.315 1.928 1.00 31.43 C ATOM 54 O PRO A 7 -1.413 5.404 3.105 1.00 11.54 O ATOM 55 CB PRO A 7 -1.257 7.757 1.103 1.00 73.35 C ATOM 56 CG PRO A 7 -1.757 7.691 -0.342 1.00 73.14 C ATOM 57 CD PRO A 7 -0.539 7.198 -1.122 1.00 50.35 C ATOM 58 HA PRO A 7 0.486 6.826 1.965 1.00 70.33 H ATOM 59 HB2 PRO A 7 -2.086 7.783 1.836 1.00 0.00 H ATOM 60 HB3 PRO A 7 -0.686 8.693 1.259 1.00 33.33 H ATOM 61 HG2 PRO A 7 -2.588 6.964 -0.428 1.00 0.00 H ATOM 62 HG3 PRO A 7 -2.134 8.663 -0.711 1.00 23.41 H ATOM 63 HD2 PRO A 7 -0.828 6.588 -1.999 1.00 0.00 H ATOM 64 HD3 PRO A 7 0.068 8.047 -1.494 1.00 41.43 H HETATM 65 N DPN A 8 -1.239 4.189 1.222 1.00 0.00 N HETATM 66 CA DPN A 8 -1.860 2.955 1.784 1.00 0.00 C HETATM 67 C DPN A 8 -2.592 2.149 0.666 1.00 0.00 C HETATM 68 O DPN A 8 -3.818 2.013 0.703 1.00 0.00 O HETATM 69 CB DPN A 8 -0.790 2.120 2.558 1.00 0.00 C HETATM 70 CG DPN A 8 -1.343 0.968 3.413 1.00 0.00 C HETATM 71 CD1 DPN A 8 -1.490 -0.313 2.868 1.00 0.00 C HETATM 72 CD2 DPN A 8 -1.686 1.187 4.751 1.00 0.00 C HETATM 73 CE1 DPN A 8 -1.967 -1.361 3.652 1.00 0.00 C HETATM 74 CE2 DPN A 8 -2.162 0.136 5.535 1.00 0.00 C HETATM 75 CZ DPN A 8 -2.299 -1.136 4.985 1.00 0.00 C HETATM 76 H DPN A 8 -0.803 4.215 0.292 1.00 0.00 H HETATM 77 HA DPN A 8 -2.647 3.251 2.507 1.00 0.00 H HETATM 78 HB2 DPN A 8 -0.197 2.796 3.195 1.00 0.00 H HETATM 79 HB3 DPN A 8 -0.029 1.725 1.859 1.00 0.00 H HETATM 80 HD1 DPN A 8 -1.225 -0.502 1.839 1.00 0.00 H HETATM 81 HD2 DPN A 8 -1.581 2.169 5.189 1.00 0.00 H HETATM 82 HE1 DPN A 8 -2.076 -2.348 3.226 1.00 0.00 H HETATM 83 HE2 DPN A 8 -2.421 0.310 6.569 1.00 0.00 H HETATM 84 HZ DPN A 8 -2.668 -1.949 5.593 1.00 0.00 H ATOM 85 N ARG A 9 -1.837 1.573 -0.286 1.00 61.01 N ATOM 86 CA ARG A 9 -2.342 0.514 -1.198 1.00 53.23 C ATOM 87 C ARG A 9 -1.453 -0.760 -1.060 1.00 34.42 C ATOM 88 O ARG A 9 -0.223 -0.703 -0.960 1.00 75.42 O ATOM 89 CB ARG A 9 -2.394 1.076 -2.638 1.00 42.11 C ATOM 90 CG ARG A 9 -3.094 0.174 -3.691 1.00 51.03 C ATOM 91 CD ARG A 9 -3.214 0.808 -5.091 1.00 32.53 C ATOM 92 NE ARG A 9 -4.243 1.886 -5.104 1.00 61.34 N ATOM 93 CZ ARG A 9 -4.544 2.656 -6.149 1.00 21.04 C ATOM 94 NH1 ARG A 9 -3.975 2.539 -7.324 1.00 62.52 N ATOM 95 NH2 ARG A 9 -5.453 3.575 -5.997 1.00 5.43 N ATOM 96 H ARG A 9 -0.830 1.769 -0.168 1.00 0.22 H ATOM 97 HA ARG A 9 -3.383 0.250 -0.914 1.00 25.44 H ATOM 98 HB2 ARG A 9 -2.928 2.041 -2.600 1.00 0.00 H ATOM 99 HB3 ARG A 9 -1.366 1.312 -2.968 1.00 63.23 H ATOM 100 HG2 ARG A 9 -2.522 -0.770 -3.787 1.00 0.00 H ATOM 101 HG3 ARG A 9 -4.092 -0.142 -3.329 1.00 34.21 H ATOM 102 HD2 ARG A 9 -2.225 1.192 -5.415 1.00 0.00 H ATOM 103 HD3 ARG A 9 -3.488 0.015 -5.818 1.00 22.22 H ATOM 104 HE ARG A 9 -4.769 2.105 -4.253 1.00 0.00 H ATOM 105 HH11 ARG A 9 -3.273 1.799 -7.376 1.00 0.00 H ATOM 106 HH12 ARG A 9 -4.263 3.171 -8.073 1.00 0.00 H ATOM 107 HH21 ARG A 9 -5.885 3.651 -5.075 1.00 0.00 H ATOM 108 HH22 ARG A 9 -5.670 4.156 -6.810 1.00 0.00 H ATOM 109 N TRP A 10 -2.115 -1.923 -1.056 1.00 0.00 N ATOM 110 CA TRP A 10 -1.438 -3.237 -0.927 1.00 0.00 C ATOM 111 C TRP A 10 -1.177 -3.869 -2.329 1.00 0.00 C ATOM 112 O TRP A 10 -2.080 -4.044 -3.154 1.00 0.00 O ATOM 113 CB TRP A 10 -2.315 -4.121 -0.013 1.00 0.00 C ATOM 114 CG TRP A 10 -1.703 -5.478 0.331 1.00 0.00 C ATOM 115 CD1 TRP A 10 -1.964 -6.667 -0.364 1.00 0.00 C ATOM 116 CD2 TRP A 10 -0.765 -5.798 1.289 1.00 0.00 C ATOM 117 NE1 TRP A 10 -1.204 -7.745 0.135 1.00 0.00 N ATOM 118 CE2 TRP A 10 -0.466 -7.177 1.165 1.00 0.00 C ATOM 119 CE3 TRP A 10 -0.116 -5.003 2.263 1.00 0.00 C ATOM 120 CZ2 TRP A 10 0.487 -7.773 2.024 1.00 0.00 C ATOM 121 CZ3 TRP A 10 0.815 -5.613 3.105 1.00 0.00 C ATOM 122 CH2 TRP A 10 1.113 -6.977 2.988 1.00 0.00 C ATOM 123 H TRP A 10 -3.093 -1.844 -1.344 1.00 0.00 H ATOM 124 HA TRP A 10 -0.477 -3.099 -0.386 1.00 0.00 H ATOM 125 HB2 TRP A 10 -2.513 -3.590 0.931 1.00 0.00 H ATOM 126 HB3 TRP A 10 -3.300 -4.273 -0.486 1.00 0.00 H ATOM 127 HD1 TRP A 10 -2.645 -6.698 -1.203 1.00 0.00 H ATOM 128 HE1 TRP A 10 -1.200 -8.724 -0.173 1.00 0.00 H ATOM 129 HE3 TRP A 10 -0.333 -3.948 2.333 1.00 0.00 H ATOM 130 HZ2 TRP A 10 0.725 -8.823 1.937 1.00 0.00 H ATOM 131 HZ3 TRP A 10 1.320 -5.020 3.855 1.00 0.00 H ATOM 132 HH2 TRP A 10 1.841 -7.421 3.652 1.00 0.00 H ATOM 133 N LYS A 11 0.088 -4.220 -2.549 1.00 74.43 N ATOM 134 CA LYS A 11 0.601 -4.738 -3.842 1.00 4.20 C ATOM 135 C LYS A 11 1.561 -5.936 -3.571 1.00 11.04 C ATOM 136 O LYS A 11 2.783 -5.820 -3.505 1.00 35.41 O ATOM 137 CB LYS A 11 1.280 -3.551 -4.587 1.00 41.10 C ATOM 138 CG LYS A 11 0.289 -2.613 -5.309 1.00 44.10 C ATOM 139 CD LYS A 11 0.918 -1.336 -5.911 1.00 33.11 C ATOM 140 CE LYS A 11 0.821 -0.074 -5.031 1.00 70.12 C ATOM 141 NZ LYS A 11 1.820 -0.033 -3.944 1.00 43.51 N ATOM 142 H LYS A 11 0.727 -3.884 -1.811 1.00 20.44 H ATOM 143 HA LYS A 11 -0.225 -5.123 -4.476 1.00 50.52 H ATOM 144 HB2 LYS A 11 1.916 -2.976 -3.886 1.00 0.00 H ATOM 145 HB3 LYS A 11 1.983 -3.946 -5.340 1.00 63.23 H ATOM 146 HG2 LYS A 11 -0.196 -3.198 -6.112 1.00 0.00 H ATOM 147 HG3 LYS A 11 -0.539 -2.338 -4.627 1.00 60.25 H ATOM 148 HD2 LYS A 11 1.959 -1.514 -6.243 1.00 0.00 H ATOM 149 HD3 LYS A 11 0.375 -1.114 -6.850 1.00 13.13 H ATOM 150 HE2 LYS A 11 0.957 0.819 -5.675 1.00 0.00 H ATOM 151 HE3 LYS A 11 -0.198 0.024 -4.613 1.00 35.55 H ATOM 152 HZ1 LYS A 11 2.525 -0.762 -3.806 1.00 44.51 H HETATM 153 N NH2 A 12 1.060 -7.146 -3.401 1.00 24.35 N HETATM 154 HN1 NH2 A 12 0.045 -7.214 -3.288 1.00 71.12 H HETATM 155 HN2 NH2 A 12 1.768 -7.847 -3.163 1.00 14.20 H TER 156 NH2 A 12