HETATM 1 C ACE A 3 2.912 -3.671 0.125 1.00 1.42 C HETATM 2 O ACE A 3 2.071 -3.401 -0.728 1.00 25.23 O HETATM 3 CH3 ACE A 3 3.728 -4.945 0.033 1.00 11.32 C HETATM 4 H1 ACE A 3 3.425 -5.535 -0.852 1.00 11.05 H HETATM 5 H2 ACE A 3 4.807 -4.727 -0.067 1.00 31.00 H HETATM 6 H3 ACE A 3 3.578 -5.587 0.919 1.00 0.00 H HETATM 7 N NLE A 4 3.158 -2.897 1.178 1.00 24.32 N HETATM 8 CA NLE A 4 2.416 -1.644 1.458 1.00 22.54 C HETATM 9 C NLE A 4 3.183 -0.373 0.975 1.00 51.12 C HETATM 10 O NLE A 4 4.180 0.050 1.567 1.00 4.44 O HETATM 11 CB NLE A 4 2.014 -1.588 2.957 1.00 51.41 C HETATM 12 CG NLE A 4 3.071 -1.782 4.075 1.00 53.53 C HETATM 13 CD NLE A 4 3.199 -3.241 4.558 1.00 13.25 C HETATM 14 CE NLE A 4 4.218 -3.388 5.692 1.00 21.12 C HETATM 15 H NLE A 4 3.829 -3.262 1.855 1.00 73.41 H HETATM 16 HA NLE A 4 1.443 -1.678 0.921 1.00 13.34 H HETATM 17 HB2 NLE A 4 1.180 -2.294 3.104 1.00 12.25 H HETATM 18 HB3 NLE A 4 1.548 -0.603 3.124 1.00 64.43 H HETATM 19 HG2 NLE A 4 2.786 -1.154 4.941 1.00 24.40 H HETATM 20 HG3 NLE A 4 4.054 -1.388 3.752 1.00 61.35 H HETATM 21 HD2 NLE A 4 3.490 -3.907 3.726 1.00 34.12 H HETATM 22 HD3 NLE A 4 2.215 -3.609 4.906 1.00 2.42 H HETATM 23 HE1 NLE A 4 3.938 -2.782 6.574 1.00 35.54 H HETATM 24 HE2 NLE A 4 4.292 -4.439 6.026 1.00 13.20 H HETATM 25 HE3 NLE A 4 5.230 -3.072 5.376 1.00 14.24 H ATOM 26 N ASP A 5 2.671 0.250 -0.094 1.00 42.23 N ATOM 27 CA ASP A 5 3.180 1.550 -0.610 1.00 14.33 C ATOM 28 C ASP A 5 2.340 2.766 -0.072 1.00 70.04 C ATOM 29 O ASP A 5 1.122 2.624 0.072 1.00 71.01 O ATOM 30 CB ASP A 5 3.104 1.500 -2.157 1.00 73.01 C ATOM 31 CG ASP A 5 4.247 0.756 -2.858 1.00 3.02 C ATOM 32 OD1 ASP A 5 5.359 1.270 -2.876 1.00 41.31 O ATOM 33 H ASP A 5 1.819 -0.186 -0.477 1.00 62.10 H ATOM 34 HA ASP A 5 4.239 1.684 -0.310 1.00 60.50 H ATOM 35 HB2 ASP A 5 2.118 1.147 -2.498 1.00 0.00 H ATOM 36 HB3 ASP A 5 3.173 2.519 -2.565 1.00 72.20 H ATOM 37 N PRO A 6 2.886 3.989 0.195 1.00 64.04 N ATOM 38 CA PRO A 6 2.066 5.153 0.644 1.00 44.43 C ATOM 39 C PRO A 6 1.114 5.761 -0.464 1.00 31.44 C ATOM 40 O PRO A 6 1.549 5.832 -1.621 1.00 1.02 O ATOM 41 CB PRO A 6 3.162 6.131 1.110 1.00 53.11 C ATOM 42 CG PRO A 6 4.384 5.811 0.244 1.00 4.15 C ATOM 43 CD PRO A 6 4.324 4.296 0.048 1.00 41.55 C ATOM 44 HA PRO A 6 1.484 4.841 1.532 1.00 15.04 H ATOM 45 HB2 PRO A 6 2.863 7.195 1.040 1.00 0.00 H ATOM 46 HB3 PRO A 6 3.403 5.949 2.176 1.00 62.32 H ATOM 47 HG2 PRO A 6 4.298 6.322 -0.736 1.00 0.00 H ATOM 48 HG3 PRO A 6 5.336 6.145 0.700 1.00 31.02 H ATOM 49 HD2 PRO A 6 4.724 4.003 -0.943 1.00 0.00 H ATOM 50 HD3 PRO A 6 4.914 3.768 0.823 1.00 72.34 H ATOM 51 N PRO A 7 -0.152 6.224 -0.207 1.00 22.14 N ATOM 52 CA PRO A 7 -0.791 6.287 1.143 1.00 10.30 C ATOM 53 C PRO A 7 -1.666 5.035 1.508 1.00 31.43 C ATOM 54 O PRO A 7 -2.900 5.076 1.549 1.00 11.54 O ATOM 55 CB PRO A 7 -1.594 7.598 0.996 1.00 73.35 C ATOM 56 CG PRO A 7 -2.073 7.607 -0.458 1.00 73.14 C ATOM 57 CD PRO A 7 -0.909 6.984 -1.226 1.00 50.35 C ATOM 58 HA PRO A 7 -0.048 6.444 1.949 1.00 70.33 H ATOM 59 HB2 PRO A 7 -2.428 7.682 1.718 1.00 0.00 H ATOM 60 HB3 PRO A 7 -0.937 8.471 1.183 1.00 33.33 H ATOM 61 HG2 PRO A 7 -2.981 6.981 -0.565 1.00 0.00 H ATOM 62 HG3 PRO A 7 -2.331 8.622 -0.819 1.00 23.41 H ATOM 63 HD2 PRO A 7 -1.253 6.335 -2.054 1.00 0.00 H ATOM 64 HD3 PRO A 7 -0.268 7.770 -1.670 1.00 41.43 H HETATM 65 N DPN A 8 -0.998 3.905 1.771 1.00 0.00 N HETATM 66 CA DPN A 8 -1.663 2.605 2.064 1.00 0.00 C HETATM 67 C DPN A 8 -2.281 1.953 0.783 1.00 0.00 C HETATM 68 O DPN A 8 -3.503 1.825 0.671 1.00 0.00 O HETATM 69 CB DPN A 8 -0.603 1.713 2.779 1.00 0.00 C HETATM 70 CG DPN A 8 -1.161 0.480 3.501 1.00 0.00 C HETATM 71 CD1 DPN A 8 -1.393 0.527 4.878 1.00 0.00 C HETATM 72 CD2 DPN A 8 -1.394 -0.711 2.804 1.00 0.00 C HETATM 73 CE1 DPN A 8 -1.847 -0.604 5.552 1.00 0.00 C HETATM 74 CE2 DPN A 8 -1.849 -1.840 3.479 1.00 0.00 C HETATM 75 CZ DPN A 8 -2.074 -1.787 4.853 1.00 0.00 C HETATM 76 H DPN A 8 -0.036 3.925 1.416 1.00 0.00 H HETATM 77 HA DPN A 8 -2.494 2.783 2.777 1.00 0.00 H HETATM 78 HB2 DPN A 8 -0.025 2.322 3.495 1.00 0.00 H HETATM 79 HB3 DPN A 8 0.176 1.387 2.064 1.00 0.00 H HETATM 80 HD1 DPN A 8 -1.212 1.436 5.436 1.00 0.00 H HETATM 81 HD2 DPN A 8 -1.208 -0.771 1.741 1.00 0.00 H HETATM 82 HE1 DPN A 8 -2.013 -0.554 6.618 1.00 0.00 H HETATM 83 HE2 DPN A 8 -2.018 -2.757 2.937 1.00 0.00 H HETATM 84 HZ DPN A 8 -2.422 -2.666 5.377 1.00 0.00 H ATOM 85 N ARG A 9 -1.433 1.597 -0.193 1.00 61.01 N ATOM 86 CA ARG A 9 -1.808 0.863 -1.422 1.00 53.23 C ATOM 87 C ARG A 9 -1.109 -0.530 -1.351 1.00 34.42 C ATOM 88 O ARG A 9 0.122 -0.624 -1.244 1.00 75.42 O ATOM 89 CB ARG A 9 -1.342 1.642 -2.681 1.00 42.11 C ATOM 90 CG ARG A 9 -1.701 3.147 -2.858 1.00 51.03 C ATOM 91 CD ARG A 9 -3.190 3.523 -3.026 1.00 32.53 C ATOM 92 NE ARG A 9 -3.880 3.482 -1.710 1.00 61.34 N ATOM 93 CZ ARG A 9 -4.992 4.127 -1.375 1.00 21.04 C ATOM 94 NH1 ARG A 9 -5.679 4.874 -2.202 1.00 5.43 N ATOM 95 NH2 ARG A 9 -5.416 3.996 -0.154 1.00 62.52 N ATOM 96 H ARG A 9 -0.454 1.882 -0.016 1.00 0.22 H ATOM 97 HA ARG A 9 -2.909 0.734 -1.487 1.00 25.44 H ATOM 98 HB2 ARG A 9 -0.239 1.565 -2.729 1.00 0.00 H ATOM 99 HB3 ARG A 9 -1.691 1.082 -3.567 1.00 63.23 H ATOM 100 HG2 ARG A 9 -1.245 3.739 -2.038 1.00 0.00 H ATOM 101 HG3 ARG A 9 -1.164 3.504 -3.759 1.00 34.21 H ATOM 102 HD2 ARG A 9 -3.237 4.539 -3.470 1.00 0.00 H ATOM 103 HD3 ARG A 9 -3.683 2.846 -3.754 1.00 22.22 H ATOM 104 HE ARG A 9 -3.495 2.920 -0.935 1.00 0.00 H ATOM 105 HH11 ARG A 9 -5.300 4.907 -3.150 1.00 0.00 H ATOM 106 HH12 ARG A 9 -6.529 5.322 -1.856 1.00 0.00 H ATOM 107 HH21 ARG A 9 -4.830 3.412 0.458 1.00 0.00 H ATOM 108 HH22 ARG A 9 -6.256 4.506 0.122 1.00 0.00 H ATOM 109 N TRP A 10 -1.897 -1.609 -1.378 1.00 0.00 N ATOM 110 CA TRP A 10 -1.383 -2.981 -1.150 1.00 0.00 C ATOM 111 C TRP A 10 -1.083 -3.727 -2.489 1.00 0.00 C ATOM 112 O TRP A 10 -1.924 -3.857 -3.383 1.00 0.00 O ATOM 113 CB TRP A 10 -2.402 -3.711 -0.245 1.00 0.00 C ATOM 114 CG TRP A 10 -2.037 -5.151 0.123 1.00 0.00 C ATOM 115 CD1 TRP A 10 -2.618 -6.280 -0.477 1.00 0.00 C ATOM 116 CD2 TRP A 10 -1.044 -5.632 0.954 1.00 0.00 C ATOM 117 NE1 TRP A 10 -2.015 -7.475 -0.039 1.00 0.00 N ATOM 118 CE2 TRP A 10 -1.035 -7.046 0.843 1.00 0.00 C ATOM 119 CE3 TRP A 10 -0.100 -4.968 1.776 1.00 0.00 C ATOM 120 CZ2 TRP A 10 -0.077 -7.806 1.553 1.00 0.00 C ATOM 121 CZ3 TRP A 10 0.828 -5.742 2.476 1.00 0.00 C ATOM 122 CH2 TRP A 10 0.843 -7.137 2.365 1.00 0.00 C ATOM 123 H TRP A 10 -2.863 -1.437 -1.664 1.00 0.00 H ATOM 124 HA TRP A 10 -0.454 -2.919 -0.544 1.00 0.00 H ATOM 125 HB2 TRP A 10 -2.536 -3.144 0.690 1.00 0.00 H ATOM 126 HB3 TRP A 10 -3.389 -3.705 -0.738 1.00 0.00 H ATOM 127 HD1 TRP A 10 -3.391 -6.198 -1.228 1.00 0.00 H ATOM 128 HE1 TRP A 10 -2.227 -8.440 -0.319 1.00 0.00 H ATOM 129 HE3 TRP A 10 -0.083 -3.891 1.851 1.00 0.00 H ATOM 130 HZ2 TRP A 10 -0.053 -8.881 1.461 1.00 0.00 H ATOM 131 HZ3 TRP A 10 1.558 -5.253 3.105 1.00 0.00 H ATOM 132 HH2 TRP A 10 1.580 -7.707 2.912 1.00 0.00 H ATOM 133 N LYS A 11 0.134 -4.266 -2.548 1.00 74.43 N ATOM 134 CA LYS A 11 0.647 -5.070 -3.685 1.00 4.20 C ATOM 135 C LYS A 11 0.822 -6.551 -3.225 1.00 11.04 C ATOM 136 O LYS A 11 1.847 -6.975 -2.696 1.00 35.41 O ATOM 137 CB LYS A 11 1.981 -4.409 -4.134 1.00 41.10 C ATOM 138 CG LYS A 11 1.826 -3.104 -4.952 1.00 44.10 C ATOM 139 CD LYS A 11 3.013 -2.133 -4.819 1.00 33.11 C ATOM 140 CE LYS A 11 2.905 -1.225 -3.578 1.00 70.12 C ATOM 141 NZ LYS A 11 4.117 -0.389 -3.521 1.00 43.51 N ATOM 142 H LYS A 11 0.738 -3.985 -1.759 1.00 20.44 H ATOM 143 HA LYS A 11 -0.051 -5.054 -4.548 1.00 50.52 H ATOM 144 HB2 LYS A 11 2.628 -4.240 -3.250 1.00 0.00 H ATOM 145 HB3 LYS A 11 2.558 -5.122 -4.750 1.00 63.23 H ATOM 146 HG2 LYS A 11 1.703 -3.372 -6.016 1.00 0.00 H ATOM 147 HG3 LYS A 11 0.893 -2.573 -4.680 1.00 60.25 H ATOM 148 HD2 LYS A 11 3.966 -2.698 -4.824 1.00 0.00 H ATOM 149 HD3 LYS A 11 3.049 -1.494 -5.723 1.00 13.13 H ATOM 150 HE2 LYS A 11 1.977 -0.627 -3.650 1.00 0.00 H ATOM 151 HE3 LYS A 11 2.819 -1.826 -2.651 1.00 35.55 H ATOM 152 HZ1 LYS A 11 4.951 -0.587 -4.069 1.00 44.51 H HETATM 153 N NH2 A 12 -0.172 -7.402 -3.393 1.00 24.35 N HETATM 154 HN1 NH2 A 12 -1.079 -7.002 -3.647 1.00 71.12 H HETATM 155 HN2 NH2 A 12 0.013 -8.316 -2.971 1.00 14.20 H TER 156 NH2 A 12