HETATM 1 C ACE A 3 2.154 -2.976 3.786 1.00 1.42 C HETATM 2 O ACE A 3 2.372 -3.617 4.806 1.00 25.23 O HETATM 3 CH3 ACE A 3 3.261 -2.832 2.745 1.00 11.32 C HETATM 4 H1 ACE A 3 2.876 -2.846 1.712 1.00 11.05 H HETATM 5 H2 ACE A 3 3.799 -1.877 2.887 1.00 31.00 H HETATM 6 H3 ACE A 3 3.997 -3.648 2.842 1.00 0.00 H HETATM 7 N NLE A 4 0.946 -2.419 3.676 1.00 24.32 N HETATM 8 CA NLE A 4 0.424 -1.693 2.483 1.00 22.54 C HETATM 9 C NLE A 4 1.191 -0.395 2.062 1.00 51.12 C HETATM 10 O NLE A 4 1.682 0.374 2.895 1.00 4.44 O HETATM 11 CB NLE A 4 -1.097 -1.457 2.704 1.00 51.41 C HETATM 12 CG NLE A 4 -1.508 -0.440 3.799 1.00 53.53 C HETATM 13 CD NLE A 4 -3.020 -0.400 4.068 1.00 13.25 C HETATM 14 CE NLE A 4 -3.375 0.744 5.029 1.00 21.12 C HETATM 15 H NLE A 4 0.371 -2.590 4.503 1.00 73.41 H HETATM 16 HA NLE A 4 0.490 -2.409 1.639 1.00 13.34 H HETATM 17 HB2 NLE A 4 -1.573 -2.432 2.907 1.00 12.25 H HETATM 18 HB3 NLE A 4 -1.547 -1.139 1.746 1.00 64.43 H HETATM 19 HG2 NLE A 4 -1.154 0.562 3.503 1.00 24.40 H HETATM 20 HG3 NLE A 4 -0.979 -0.641 4.747 1.00 61.35 H HETATM 21 HD2 NLE A 4 -3.357 -1.365 4.492 1.00 34.12 H HETATM 22 HD3 NLE A 4 -3.582 -0.279 3.123 1.00 2.42 H HETATM 23 HE1 NLE A 4 -2.871 0.632 6.007 1.00 35.54 H HETATM 24 HE2 NLE A 4 -3.076 1.730 4.624 1.00 13.20 H HETATM 25 HE3 NLE A 4 -4.462 0.791 5.222 1.00 14.24 H ATOM 26 N ASP A 5 1.309 -0.185 0.744 1.00 42.23 N ATOM 27 CA ASP A 5 2.181 0.871 0.162 1.00 14.33 C ATOM 28 C ASP A 5 1.374 2.160 -0.245 1.00 70.04 C ATOM 29 O ASP A 5 0.319 2.009 -0.875 1.00 71.01 O ATOM 30 CB ASP A 5 2.897 0.273 -1.075 1.00 73.01 C ATOM 31 CG ASP A 5 4.015 -0.749 -0.794 1.00 3.02 C ATOM 32 OD1 ASP A 5 4.865 -0.515 0.066 1.00 41.31 O ATOM 33 H ASP A 5 0.720 -0.791 0.154 1.00 62.10 H ATOM 34 HA ASP A 5 2.961 1.143 0.899 1.00 60.50 H ATOM 35 HB2 ASP A 5 2.143 -0.123 -1.783 1.00 0.00 H ATOM 36 HB3 ASP A 5 3.383 1.097 -1.623 1.00 72.20 H ATOM 37 N PRO A 6 1.804 3.427 0.052 1.00 64.04 N ATOM 38 CA PRO A 6 1.032 4.652 -0.311 1.00 44.43 C ATOM 39 C PRO A 6 0.845 4.901 -1.856 1.00 31.44 C ATOM 40 O PRO A 6 1.802 4.671 -2.605 1.00 1.02 O ATOM 41 CB PRO A 6 1.802 5.771 0.420 1.00 53.11 C ATOM 42 CG PRO A 6 3.214 5.223 0.623 1.00 4.15 C ATOM 43 CD PRO A 6 3.007 3.727 0.850 1.00 41.55 C ATOM 44 HA PRO A 6 0.044 4.571 0.171 1.00 15.04 H ATOM 45 HB2 PRO A 6 1.798 6.736 -0.121 1.00 0.00 H ATOM 46 HB3 PRO A 6 1.332 5.967 1.404 1.00 62.32 H ATOM 47 HG2 PRO A 6 3.818 5.387 -0.292 1.00 0.00 H ATOM 48 HG3 PRO A 6 3.751 5.713 1.457 1.00 31.02 H ATOM 49 HD2 PRO A 6 3.897 3.152 0.534 1.00 0.00 H ATOM 50 HD3 PRO A 6 2.816 3.507 1.922 1.00 72.34 H ATOM 51 N PRO A 7 -0.342 5.330 -2.386 1.00 22.14 N ATOM 52 CA PRO A 7 -1.495 5.862 -1.584 1.00 10.30 C ATOM 53 C PRO A 7 -2.539 4.864 -0.955 1.00 31.43 C ATOM 54 O PRO A 7 -3.627 5.290 -0.562 1.00 11.54 O ATOM 55 CB PRO A 7 -2.131 6.801 -2.635 1.00 73.35 C ATOM 56 CG PRO A 7 -1.908 6.110 -3.981 1.00 73.14 C ATOM 57 CD PRO A 7 -0.511 5.508 -3.845 1.00 50.35 C ATOM 58 HA PRO A 7 -1.129 6.488 -0.748 1.00 70.33 H ATOM 59 HB2 PRO A 7 -3.200 7.020 -2.447 1.00 0.00 H ATOM 60 HB3 PRO A 7 -1.616 7.781 -2.625 1.00 33.33 H ATOM 61 HG2 PRO A 7 -2.655 5.305 -4.131 1.00 0.00 H ATOM 62 HG3 PRO A 7 -1.992 6.799 -4.841 1.00 23.41 H ATOM 63 HD2 PRO A 7 -0.419 4.549 -4.392 1.00 0.00 H ATOM 64 HD3 PRO A 7 0.260 6.195 -4.247 1.00 41.43 H HETATM 65 N 4J2 A 8 -2.207 3.572 -0.809 1.00 55.11 N HETATM 66 CA 4J2 A 8 -3.071 2.546 -0.158 1.00 24.43 C HETATM 67 CB 4J2 A 8 -2.481 2.063 1.200 1.00 10.34 C HETATM 68 CG 4J2 A 8 -1.930 3.088 2.196 1.00 12.23 C HETATM 69 CD1 4J2 A 8 -0.590 3.040 2.562 1.00 0.11 C HETATM 70 CD2 4J2 A 8 -2.764 4.056 2.735 1.00 72.21 C HETATM 71 CE1 4J2 A 8 -0.058 3.957 3.455 1.00 51.02 C HETATM 72 CZ1 4J2 A 8 -0.873 4.949 3.996 1.00 50.12 C HETATM 73 CZ2 4J2 A 8 -0.360 5.887 4.886 1.00 30.24 C HETATM 74 CZ3 4J2 A 8 -1.187 6.874 5.414 1.00 44.51 C HETATM 75 CE2 4J2 A 8 -2.263 5.003 3.629 1.00 75.11 C HETATM 76 CE3 4J2 A 8 -3.073 6.001 4.173 1.00 3.32 C HETATM 77 CE4 4J2 A 8 -2.534 6.930 5.060 1.00 51.13 C HETATM 78 C 4J2 A 8 -3.301 1.324 -1.104 1.00 22.34 C HETATM 79 HE1 4J2 A 8 0.990 3.884 3.716 1.00 0.00 H HETATM 80 O 4J2 A 8 -4.440 0.938 -1.377 1.00 52.33 O HETATM 81 HE3 4J2 A 8 -4.120 6.068 3.913 1.00 0.00 H HETATM 82 HE4 4J2 A 8 -3.166 7.702 5.478 1.00 0.00 H HETATM 83 H 4J2 A 8 -1.225 3.353 -1.007 1.00 71.33 H HETATM 84 HA 4J2 A 8 -4.061 2.974 0.073 1.00 41.44 H HETATM 85 HB2 4J2 A 8 -3.273 1.498 1.709 1.00 40.54 H HETATM 86 HB1 4J2 A 8 -1.701 1.305 1.019 1.00 60.00 H HETATM 87 HD1 4J2 A 8 0.036 2.278 2.138 1.00 0.00 H HETATM 88 HD2 4J2 A 8 -3.789 4.023 2.411 1.00 0.00 H HETATM 89 HZ2 4J2 A 8 0.685 5.841 5.162 1.00 0.00 H HETATM 90 HZ23 4J2 A 8 -0.784 7.600 6.106 1.00 0.00 H ATOM 91 N ARG A 9 -2.196 0.701 -1.552 1.00 0.00 N ATOM 92 CA ARG A 9 -2.192 -0.518 -2.392 1.00 0.00 C ATOM 93 C ARG A 9 -1.689 -1.708 -1.518 1.00 0.00 C ATOM 94 O ARG A 9 -0.680 -1.612 -0.806 1.00 0.00 O ATOM 95 CB ARG A 9 -1.242 -0.285 -3.594 1.00 0.00 C ATOM 96 CG ARG A 9 -1.634 0.860 -4.565 1.00 0.00 C ATOM 97 CD ARG A 9 -0.507 1.232 -5.541 1.00 0.00 C ATOM 98 NE ARG A 9 -0.954 2.380 -6.370 1.00 0.00 N ATOM 99 CZ ARG A 9 -0.171 3.124 -7.146 1.00 0.00 C ATOM 100 NH1 ARG A 9 1.116 2.941 -7.293 1.00 0.00 N ATOM 101 NH2 ARG A 9 -0.730 4.093 -7.796 1.00 0.00 N ATOM 102 H ARG A 9 -1.323 1.175 -1.271 1.00 0.00 H ATOM 103 HA ARG A 9 -3.209 -0.730 -2.782 1.00 0.00 H ATOM 104 HB2 ARG A 9 -0.223 -0.117 -3.198 1.00 0.00 H ATOM 105 HB3 ARG A 9 -1.163 -1.224 -4.171 1.00 0.00 H ATOM 106 HG2 ARG A 9 -2.551 0.591 -5.125 1.00 0.00 H ATOM 107 HG3 ARG A 9 -1.907 1.769 -3.991 1.00 0.00 H ATOM 108 HD2 ARG A 9 0.407 1.495 -4.970 1.00 0.00 H ATOM 109 HD3 ARG A 9 -0.248 0.370 -6.187 1.00 0.00 H ATOM 110 HH11 ARG A 9 1.485 2.156 -6.754 1.00 0.00 H ATOM 111 HH12 ARG A 9 1.610 3.578 -7.918 1.00 0.00 H ATOM 112 HH21 ARG A 9 -1.737 4.143 -7.628 1.00 0.00 H ATOM 113 HH22 ARG A 9 -0.142 4.663 -8.405 1.00 0.00 H ATOM 114 N TRP A 10 -2.393 -2.847 -1.575 1.00 0.00 N ATOM 115 CA TRP A 10 -2.065 -4.022 -0.735 1.00 0.00 C ATOM 116 C TRP A 10 -0.934 -4.882 -1.387 1.00 0.00 C ATOM 117 O TRP A 10 -1.010 -5.307 -2.543 1.00 0.00 O ATOM 118 CB TRP A 10 -3.372 -4.799 -0.461 1.00 0.00 C ATOM 119 CG TRP A 10 -3.203 -5.959 0.521 1.00 0.00 C ATOM 120 CD1 TRP A 10 -2.963 -7.288 0.140 1.00 0.00 C ATOM 121 CD2 TRP A 10 -3.073 -5.930 1.896 1.00 0.00 C ATOM 122 NE1 TRP A 10 -2.685 -8.110 1.251 1.00 0.00 N ATOM 123 CE2 TRP A 10 -2.752 -7.240 2.331 1.00 0.00 C ATOM 124 CE3 TRP A 10 -3.136 -4.858 2.822 1.00 0.00 C ATOM 125 CZ2 TRP A 10 -2.489 -7.488 3.699 1.00 0.00 C ATOM 126 CZ3 TRP A 10 -2.879 -5.127 4.167 1.00 0.00 C ATOM 127 CH2 TRP A 10 -2.560 -6.422 4.599 1.00 0.00 C ATOM 128 H TRP A 10 -2.962 -2.953 -2.417 1.00 0.00 H ATOM 129 HA TRP A 10 -1.729 -3.649 0.256 1.00 0.00 H ATOM 130 HB2 TRP A 10 -4.134 -4.113 -0.053 1.00 0.00 H ATOM 131 HB3 TRP A 10 -3.788 -5.175 -1.412 1.00 0.00 H ATOM 132 HD1 TRP A 10 -2.908 -7.585 -0.899 1.00 0.00 H ATOM 133 HE1 TRP A 10 -2.438 -9.106 1.262 1.00 0.00 H ATOM 134 HE3 TRP A 10 -3.371 -3.855 2.493 1.00 0.00 H ATOM 135 HZ2 TRP A 10 -2.230 -8.479 4.038 1.00 0.00 H ATOM 136 HZ3 TRP A 10 -2.922 -4.322 4.887 1.00 0.00 H ATOM 137 HH2 TRP A 10 -2.361 -6.598 5.647 1.00 0.00 H ATOM 138 N LYS A 11 0.110 -5.112 -0.590 1.00 74.43 N ATOM 139 CA LYS A 11 1.381 -5.724 -1.052 1.00 4.20 C ATOM 140 C LYS A 11 1.527 -7.236 -0.681 1.00 11.04 C ATOM 141 O LYS A 11 1.824 -8.070 -1.533 1.00 35.41 O ATOM 142 CB LYS A 11 2.494 -4.791 -0.501 1.00 41.10 C ATOM 143 CG LYS A 11 3.900 -5.071 -1.062 1.00 44.10 C ATOM 144 CD LYS A 11 4.969 -4.035 -0.640 1.00 33.11 C ATOM 145 CE LYS A 11 5.159 -2.809 -1.563 1.00 70.12 C ATOM 146 NZ LYS A 11 4.032 -1.843 -1.565 1.00 43.51 N ATOM 147 H LYS A 11 0.022 -4.647 0.313 1.00 20.44 H ATOM 148 HA LYS A 11 1.436 -5.677 -2.160 1.00 50.52 H ATOM 149 HB2 LYS A 11 2.240 -3.736 -0.726 1.00 0.00 H ATOM 150 HB3 LYS A 11 2.526 -4.854 0.603 1.00 63.23 H ATOM 151 HG2 LYS A 11 4.206 -6.073 -0.710 1.00 0.00 H ATOM 152 HG3 LYS A 11 3.853 -5.154 -2.163 1.00 60.25 H ATOM 153 HD2 LYS A 11 4.813 -3.702 0.403 1.00 0.00 H ATOM 154 HD3 LYS A 11 5.943 -4.561 -0.609 1.00 13.13 H ATOM 155 HE2 LYS A 11 6.105 -2.298 -1.291 1.00 0.00 H ATOM 156 HE3 LYS A 11 5.332 -3.155 -2.600 1.00 35.55 H ATOM 157 HZ1 LYS A 11 3.254 -1.906 -2.227 1.00 44.51 H HETATM 158 N NH2 A 12 1.363 -7.675 0.556 1.00 24.35 N HETATM 159 HN1 NH2 A 12 0.994 -7.010 1.240 1.00 71.12 H HETATM 160 HN2 NH2 A 12 1.439 -8.693 0.642 1.00 14.20 H TER 161 NH2 A 12