HETATM 1 C ACE A 3 2.820 -4.262 0.164 1.00 1.42 C HETATM 2 O ACE A 3 1.994 -4.000 -0.710 1.00 25.23 O HETATM 3 CH3 ACE A 3 3.734 -5.465 0.027 1.00 11.32 C HETATM 4 H1 ACE A 3 4.755 -5.156 -0.259 1.00 11.05 H HETATM 5 H2 ACE A 3 3.796 -6.050 0.963 1.00 31.00 H HETATM 6 H3 ACE A 3 3.361 -6.152 -0.753 1.00 0.00 H HETATM 7 N NLE A 4 2.998 -3.549 1.276 1.00 24.32 N HETATM 8 CA NLE A 4 2.220 -2.325 1.609 1.00 22.54 C HETATM 9 C NLE A 4 3.048 -1.045 1.278 1.00 51.12 C HETATM 10 O NLE A 4 4.191 -0.890 1.724 1.00 4.44 O HETATM 11 CB NLE A 4 1.882 -2.334 3.122 1.00 51.41 C HETATM 12 CG NLE A 4 0.901 -3.427 3.602 1.00 53.53 C HETATM 13 CD NLE A 4 0.747 -3.454 5.133 1.00 13.25 C HETATM 14 CE NLE A 4 -0.297 -4.484 5.584 1.00 21.12 C HETATM 15 H NLE A 4 3.748 -3.876 1.887 1.00 73.41 H HETATM 16 HA NLE A 4 1.263 -2.315 1.048 1.00 13.34 H HETATM 17 HB2 NLE A 4 1.454 -1.353 3.399 1.00 12.25 H HETATM 18 HB3 NLE A 4 2.828 -2.385 3.690 1.00 64.43 H HETATM 19 HG2 NLE A 4 1.252 -4.418 3.262 1.00 24.40 H HETATM 20 HG3 NLE A 4 -0.084 -3.273 3.121 1.00 61.35 H HETATM 21 HD2 NLE A 4 0.466 -2.452 5.513 1.00 34.12 H HETATM 22 HD3 NLE A 4 1.721 -3.684 5.606 1.00 2.42 H HETATM 23 HE1 NLE A 4 -0.394 -4.502 6.684 1.00 35.54 H HETATM 24 HE2 NLE A 4 -1.300 -4.261 5.174 1.00 13.20 H HETATM 25 HE3 NLE A 4 -0.030 -5.509 5.264 1.00 14.24 H ATOM 26 N ASP A 5 2.460 -0.121 0.507 1.00 42.23 N ATOM 27 CA ASP A 5 3.170 1.076 -0.017 1.00 14.33 C ATOM 28 C ASP A 5 2.296 2.391 -0.051 1.00 70.04 C ATOM 29 O ASP A 5 1.069 2.297 -0.193 1.00 71.01 O ATOM 30 CB ASP A 5 3.838 0.695 -1.367 1.00 73.01 C ATOM 31 CG ASP A 5 3.004 0.237 -2.577 1.00 3.02 C ATOM 32 OD1 ASP A 5 1.823 -0.095 -2.480 1.00 41.31 O ATOM 33 H ASP A 5 1.606 -0.446 0.045 1.00 62.10 H ATOM 34 HA ASP A 5 3.996 1.300 0.685 1.00 60.50 H ATOM 35 HB2 ASP A 5 4.445 1.554 -1.677 1.00 0.00 H ATOM 36 HB3 ASP A 5 4.563 -0.114 -1.158 1.00 72.20 H ATOM 37 N PRO A 6 2.866 3.635 0.089 1.00 64.04 N ATOM 38 CA PRO A 6 2.065 4.885 0.231 1.00 44.43 C ATOM 39 C PRO A 6 1.243 5.354 -1.030 1.00 31.44 C ATOM 40 O PRO A 6 1.642 5.033 -2.155 1.00 1.02 O ATOM 41 CB PRO A 6 3.126 5.912 0.682 1.00 53.11 C ATOM 42 CG PRO A 6 4.451 5.386 0.135 1.00 4.15 C ATOM 43 CD PRO A 6 4.317 3.872 0.261 1.00 41.55 C ATOM 44 HA PRO A 6 1.369 4.734 1.073 1.00 15.04 H ATOM 45 HB2 PRO A 6 2.916 6.946 0.347 1.00 0.00 H ATOM 46 HB3 PRO A 6 3.166 5.950 1.789 1.00 62.32 H ATOM 47 HG2 PRO A 6 4.564 5.673 -0.930 1.00 0.00 H ATOM 48 HG3 PRO A 6 5.329 5.786 0.674 1.00 31.02 H ATOM 49 HD2 PRO A 6 4.940 3.363 -0.498 1.00 0.00 H ATOM 50 HD3 PRO A 6 4.652 3.529 1.260 1.00 72.34 H ATOM 51 N PRO A 7 0.099 6.099 -0.906 1.00 22.14 N ATOM 52 CA PRO A 7 -0.430 6.650 0.388 1.00 10.30 C ATOM 53 C PRO A 7 -1.116 5.691 1.423 1.00 31.43 C ATOM 54 O PRO A 7 -1.354 6.098 2.562 1.00 11.54 O ATOM 55 CB PRO A 7 -1.388 7.745 -0.126 1.00 73.35 C ATOM 56 CG PRO A 7 -1.884 7.246 -1.485 1.00 73.14 C ATOM 57 CD PRO A 7 -0.660 6.557 -2.088 1.00 50.35 C ATOM 58 HA PRO A 7 0.391 7.145 0.940 1.00 70.33 H ATOM 59 HB2 PRO A 7 -2.219 7.973 0.570 1.00 0.00 H ATOM 60 HB3 PRO A 7 -0.833 8.696 -0.256 1.00 33.33 H ATOM 61 HG2 PRO A 7 -2.706 6.518 -1.348 1.00 0.00 H ATOM 62 HG3 PRO A 7 -2.273 8.060 -2.125 1.00 23.41 H ATOM 63 HD2 PRO A 7 -0.943 5.721 -2.756 1.00 0.00 H ATOM 64 HD3 PRO A 7 -0.052 7.267 -2.682 1.00 41.43 H HETATM 65 N DPN A 8 -1.372 4.425 1.061 1.00 0.00 N HETATM 66 CA DPN A 8 -1.853 3.367 1.992 1.00 0.00 C HETATM 67 C DPN A 8 -2.619 2.279 1.178 1.00 0.00 C HETATM 68 O DPN A 8 -3.836 2.137 1.313 1.00 0.00 O HETATM 69 CB DPN A 8 -0.658 2.811 2.833 1.00 0.00 C HETATM 70 CG DPN A 8 -1.047 1.831 3.952 1.00 0.00 C HETATM 71 CD1 DPN A 8 -1.080 0.453 3.701 1.00 0.00 C HETATM 72 CD2 DPN A 8 -1.401 2.307 5.218 1.00 0.00 C HETATM 73 CE1 DPN A 8 -1.485 -0.432 4.696 1.00 0.00 C HETATM 74 CE2 DPN A 8 -1.792 1.417 6.217 1.00 0.00 C HETATM 75 CZ DPN A 8 -1.836 0.049 5.955 1.00 0.00 C HETATM 76 H DPN A 8 -1.085 4.226 0.095 1.00 0.00 H HETATM 77 HA DPN A 8 -2.592 3.812 2.690 1.00 0.00 H HETATM 78 HB2 DPN A 8 -0.097 3.655 3.264 1.00 0.00 H HETATM 79 HB3 DPN A 8 0.089 2.337 2.170 1.00 0.00 H HETATM 80 HD1 DPN A 8 -0.814 0.067 2.726 1.00 0.00 H HETATM 81 HD2 DPN A 8 -1.386 3.366 5.427 1.00 0.00 H HETATM 82 HE1 DPN A 8 -1.532 -1.490 4.489 1.00 0.00 H HETATM 83 HE2 DPN A 8 -2.069 1.789 7.193 1.00 0.00 H HETATM 84 HZ DPN A 8 -2.147 -0.639 6.728 1.00 0.00 H ATOM 85 N ARG A 9 -1.891 1.515 0.346 1.00 61.01 N ATOM 86 CA ARG A 9 -2.446 0.429 -0.487 1.00 53.23 C ATOM 87 C ARG A 9 -1.574 -0.868 -0.409 1.00 34.42 C ATOM 88 O ARG A 9 -0.367 -0.829 -0.145 1.00 75.42 O ATOM 89 CB ARG A 9 -2.591 0.976 -1.936 1.00 42.11 C ATOM 90 CG ARG A 9 -1.285 1.316 -2.716 1.00 51.03 C ATOM 91 CD ARG A 9 -1.390 1.226 -4.250 1.00 32.53 C ATOM 92 NE ARG A 9 -1.548 -0.197 -4.667 1.00 61.34 N ATOM 93 CZ ARG A 9 -1.782 -0.624 -5.904 1.00 21.04 C ATOM 94 NH1 ARG A 9 -1.795 0.159 -6.953 1.00 62.52 N ATOM 95 NH2 ARG A 9 -2.011 -1.893 -6.070 1.00 5.43 N ATOM 96 H ARG A 9 -0.899 1.772 0.285 1.00 0.22 H ATOM 97 HA ARG A 9 -3.460 0.163 -0.119 1.00 25.44 H ATOM 98 HB2 ARG A 9 -3.169 0.223 -2.493 1.00 0.00 H ATOM 99 HB3 ARG A 9 -3.246 1.868 -1.922 1.00 63.23 H ATOM 100 HG2 ARG A 9 -0.950 2.332 -2.427 1.00 0.00 H ATOM 101 HG3 ARG A 9 -0.453 0.672 -2.379 1.00 34.21 H ATOM 102 HD2 ARG A 9 -2.234 1.854 -4.604 1.00 0.00 H ATOM 103 HD3 ARG A 9 -0.469 1.655 -4.696 1.00 22.22 H ATOM 104 HE ARG A 9 -1.554 -0.952 -3.967 1.00 0.00 H ATOM 105 HH11 ARG A 9 -1.603 1.140 -6.741 1.00 0.00 H ATOM 106 HH12 ARG A 9 -1.985 -0.254 -7.867 1.00 0.00 H ATOM 107 HH21 ARG A 9 -2.025 -2.453 -5.201 1.00 0.00 H ATOM 108 HH22 ARG A 9 -2.210 -2.226 -7.015 1.00 0.00 H ATOM 109 N TRP A 10 -2.180 -2.020 -0.737 1.00 0.00 N ATOM 110 CA TRP A 10 -1.422 -3.252 -1.063 1.00 0.00 C ATOM 111 C TRP A 10 -1.080 -3.302 -2.589 1.00 0.00 C ATOM 112 O TRP A 10 -1.895 -2.993 -3.467 1.00 0.00 O ATOM 113 CB TRP A 10 -2.275 -4.459 -0.594 1.00 0.00 C ATOM 114 CG TRP A 10 -1.640 -5.837 -0.812 1.00 0.00 C ATOM 115 CD1 TRP A 10 -1.841 -6.632 -1.953 1.00 0.00 C ATOM 116 CD2 TRP A 10 -0.714 -6.512 -0.044 1.00 0.00 C ATOM 117 NE1 TRP A 10 -1.056 -7.801 -1.925 1.00 0.00 N ATOM 118 CE2 TRP A 10 -0.361 -7.702 -0.729 1.00 0.00 C ATOM 119 CE3 TRP A 10 -0.111 -6.187 1.193 1.00 0.00 C ATOM 120 CZ2 TRP A 10 0.605 -8.576 -0.179 1.00 0.00 C ATOM 121 CZ3 TRP A 10 0.833 -7.069 1.725 1.00 0.00 C ATOM 122 CH2 TRP A 10 1.188 -8.245 1.048 1.00 0.00 C ATOM 123 H TRP A 10 -3.167 -1.943 -0.991 1.00 0.00 H ATOM 124 HA TRP A 10 -0.485 -3.277 -0.466 1.00 0.00 H ATOM 125 HB2 TRP A 10 -2.495 -4.357 0.481 1.00 0.00 H ATOM 126 HB3 TRP A 10 -3.257 -4.437 -1.099 1.00 0.00 H ATOM 127 HD1 TRP A 10 -2.471 -6.315 -2.770 1.00 0.00 H ATOM 128 HE1 TRP A 10 -0.974 -8.531 -2.641 1.00 0.00 H ATOM 129 HE3 TRP A 10 -0.374 -5.273 1.703 1.00 0.00 H ATOM 130 HZ2 TRP A 10 0.886 -9.482 -0.696 1.00 0.00 H ATOM 131 HZ3 TRP A 10 1.302 -6.839 2.670 1.00 0.00 H ATOM 132 HH2 TRP A 10 1.924 -8.905 1.482 1.00 0.00 H ATOM 133 N LYS A 11 0.136 -3.765 -2.881 1.00 74.43 N ATOM 134 CA LYS A 11 0.541 -4.248 -4.226 1.00 4.20 C ATOM 135 C LYS A 11 1.117 -5.702 -4.240 1.00 11.04 C ATOM 136 O LYS A 11 0.757 -6.512 -5.088 1.00 35.41 O ATOM 137 CB LYS A 11 1.409 -3.173 -4.920 1.00 41.10 C ATOM 138 CG LYS A 11 2.842 -2.918 -4.402 1.00 44.10 C ATOM 139 CD LYS A 11 3.592 -1.834 -5.213 1.00 33.11 C ATOM 140 CE LYS A 11 3.141 -0.374 -4.975 1.00 70.12 C ATOM 141 NZ LYS A 11 3.698 0.174 -3.718 1.00 43.51 N ATOM 142 H LYS A 11 0.759 -3.835 -2.067 1.00 20.44 H ATOM 143 HA LYS A 11 -0.364 -4.339 -4.858 1.00 50.52 H ATOM 144 HB2 LYS A 11 1.474 -3.453 -5.980 1.00 0.00 H ATOM 145 HB3 LYS A 11 0.851 -2.219 -4.896 1.00 63.23 H ATOM 146 HG2 LYS A 11 2.815 -2.649 -3.328 1.00 0.00 H ATOM 147 HG3 LYS A 11 3.415 -3.862 -4.457 1.00 60.25 H ATOM 148 HD2 LYS A 11 4.678 -1.921 -5.011 1.00 0.00 H ATOM 149 HD3 LYS A 11 3.502 -2.066 -6.291 1.00 13.13 H ATOM 150 HE2 LYS A 11 3.509 0.253 -5.809 1.00 0.00 H ATOM 151 HE3 LYS A 11 2.039 -0.274 -5.020 1.00 35.55 H ATOM 152 HZ1 LYS A 11 4.684 0.428 -3.619 1.00 44.51 H HETATM 153 N NH2 A 12 1.995 -6.121 -3.346 1.00 24.35 N HETATM 154 HN1 NH2 A 12 2.161 -7.129 -3.394 1.00 71.12 H HETATM 155 HN2 NH2 A 12 2.176 -5.490 -2.557 1.00 14.20 H TER 156 NH2 A 12