HETATM 1 C ACE A 3 1.363 -3.515 2.690 1.00 1.42 C HETATM 2 O ACE A 3 0.954 -3.749 1.555 1.00 25.23 O HETATM 3 CH3 ACE A 3 2.127 -4.568 3.468 1.00 11.32 C HETATM 4 H1 ACE A 3 2.217 -5.496 2.873 1.00 11.05 H HETATM 5 H2 ACE A 3 3.151 -4.230 3.708 1.00 31.00 H HETATM 6 H3 ACE A 3 1.611 -4.830 4.409 1.00 0.00 H HETATM 7 N NLE A 4 1.174 -2.356 3.315 1.00 24.32 N HETATM 8 CA NLE A 4 0.481 -1.202 2.679 1.00 22.54 C HETATM 9 C NLE A 4 1.502 -0.132 2.173 1.00 51.12 C HETATM 10 O NLE A 4 2.232 0.481 2.960 1.00 4.44 O HETATM 11 CB NLE A 4 -0.481 -0.556 3.705 1.00 51.41 C HETATM 12 CG NLE A 4 -1.789 -1.310 4.034 1.00 53.53 C HETATM 13 CD NLE A 4 -2.814 -0.491 4.846 1.00 13.25 C HETATM 14 CE NLE A 4 -2.350 -0.111 6.261 1.00 21.12 C HETATM 15 H NLE A 4 1.575 -2.297 4.253 1.00 73.41 H HETATM 16 HA NLE A 4 -0.141 -1.551 1.827 1.00 13.34 H HETATM 17 HB2 NLE A 4 -0.777 0.427 3.324 1.00 12.25 H HETATM 18 HB3 NLE A 4 0.084 -0.318 4.620 1.00 64.43 H HETATM 19 HG2 NLE A 4 -1.561 -2.246 4.570 1.00 24.40 H HETATM 20 HG3 NLE A 4 -2.274 -1.622 3.089 1.00 61.35 H HETATM 21 HD2 NLE A 4 -3.753 -1.071 4.924 1.00 34.12 H HETATM 22 HD3 NLE A 4 -3.090 0.425 4.290 1.00 2.42 H HETATM 23 HE1 NLE A 4 -2.073 -1.000 6.857 1.00 35.54 H HETATM 24 HE2 NLE A 4 -1.473 0.562 6.238 1.00 13.20 H HETATM 25 HE3 NLE A 4 -3.146 0.421 6.813 1.00 14.24 H ATOM 26 N ASP A 5 1.493 0.135 0.862 1.00 42.23 N ATOM 27 CA ASP A 5 2.328 1.199 0.234 1.00 14.33 C ATOM 28 C ASP A 5 1.446 2.418 -0.228 1.00 70.04 C ATOM 29 O ASP A 5 0.469 2.181 -0.951 1.00 71.01 O ATOM 30 CB ASP A 5 3.076 0.613 -0.987 1.00 73.01 C ATOM 31 CG ASP A 5 4.199 -0.382 -0.667 1.00 3.02 C ATOM 32 OD1 ASP A 5 5.212 -0.008 -0.075 1.00 41.31 O ATOM 33 H ASP A 5 0.860 -0.464 0.314 1.00 62.10 H ATOM 34 HA ASP A 5 3.105 1.544 0.942 1.00 60.50 H ATOM 35 HB2 ASP A 5 2.345 0.200 -1.709 1.00 0.00 H ATOM 36 HB3 ASP A 5 3.555 1.446 -1.527 1.00 72.20 H ATOM 37 N PRO A 6 1.727 3.712 0.124 1.00 64.04 N ATOM 38 CA PRO A 6 0.939 4.886 -0.359 1.00 44.43 C ATOM 39 C PRO A 6 0.645 5.007 -1.903 1.00 31.44 C ATOM 40 O PRO A 6 1.587 4.810 -2.679 1.00 1.02 O ATOM 41 CB PRO A 6 1.785 6.065 0.156 1.00 53.11 C ATOM 42 CG PRO A 6 2.414 5.554 1.451 1.00 4.15 C ATOM 43 CD PRO A 6 2.697 4.077 1.177 1.00 41.55 C ATOM 44 HA PRO A 6 -0.005 4.875 0.213 1.00 15.04 H ATOM 45 HB2 PRO A 6 2.585 6.325 -0.567 1.00 0.00 H ATOM 46 HB3 PRO A 6 1.185 6.981 0.308 1.00 62.32 H ATOM 47 HG2 PRO A 6 3.324 6.117 1.735 1.00 0.00 H ATOM 48 HG3 PRO A 6 1.696 5.662 2.288 1.00 31.02 H ATOM 49 HD2 PRO A 6 3.733 3.926 0.820 1.00 0.00 H ATOM 50 HD3 PRO A 6 2.565 3.477 2.101 1.00 72.34 H ATOM 51 N PRO A 7 -0.593 5.314 -2.407 1.00 22.14 N ATOM 52 CA PRO A 7 -1.782 5.710 -1.588 1.00 10.30 C ATOM 53 C PRO A 7 -2.741 4.540 -1.150 1.00 31.43 C ATOM 54 O PRO A 7 -3.945 4.552 -1.418 1.00 11.54 O ATOM 55 CB PRO A 7 -2.426 6.728 -2.555 1.00 73.35 C ATOM 56 CG PRO A 7 -2.188 6.152 -3.953 1.00 73.14 C ATOM 57 CD PRO A 7 -0.796 5.530 -3.856 1.00 50.35 C ATOM 58 HA PRO A 7 -1.492 6.263 -0.675 1.00 70.33 H ATOM 59 HB2 PRO A 7 -3.499 6.910 -2.350 1.00 0.00 H ATOM 60 HB3 PRO A 7 -1.927 7.713 -2.461 1.00 33.33 H ATOM 61 HG2 PRO A 7 -2.942 5.371 -4.176 1.00 0.00 H ATOM 62 HG3 PRO A 7 -2.262 6.915 -4.751 1.00 23.41 H ATOM 63 HD2 PRO A 7 -0.720 4.585 -4.425 1.00 0.00 H ATOM 64 HD3 PRO A 7 -0.028 6.220 -4.254 1.00 41.43 H HETATM 65 N 4J2 A 8 -2.203 3.544 -0.434 1.00 55.11 N HETATM 66 CA 4J2 A 8 -2.964 2.360 0.052 1.00 24.43 C HETATM 67 CB 4J2 A 8 -2.281 1.773 1.322 1.00 10.34 C HETATM 68 CG 4J2 A 8 -1.916 2.724 2.467 1.00 12.23 C HETATM 69 CD1 4J2 A 8 -0.582 3.031 2.713 1.00 0.11 C HETATM 70 CD2 4J2 A 8 -2.909 3.245 3.283 1.00 72.21 C HETATM 71 CE1 4J2 A 8 -0.216 3.863 3.758 1.00 51.02 C HETATM 72 CZ1 4J2 A 8 -1.197 4.413 4.578 1.00 50.12 C HETATM 73 CZ2 4J2 A 8 -0.852 5.262 5.625 1.00 30.24 C HETATM 74 CZ3 4J2 A 8 -1.844 5.796 6.444 1.00 44.51 C HETATM 75 CE2 4J2 A 8 -2.580 4.095 4.343 1.00 75.11 C HETATM 76 CE3 4J2 A 8 -3.555 4.641 5.178 1.00 3.32 C HETATM 77 CE4 4J2 A 8 -3.186 5.487 6.222 1.00 51.13 C HETATM 78 C 4J2 A 8 -3.120 1.222 -1.010 1.00 22.34 C HETATM 79 HE1 4J2 A 8 0.833 4.060 3.928 1.00 0.00 H HETATM 80 O 4J2 A 8 -4.208 0.667 -1.182 1.00 52.33 O HETATM 81 HE3 4J2 A 8 -4.603 4.420 5.028 1.00 0.00 H HETATM 82 HE4 4J2 A 8 -3.944 5.907 6.866 1.00 0.00 H HETATM 83 H 4J2 A 8 -1.183 3.556 -0.353 1.00 71.33 H HETATM 84 HA 4J2 A 8 -3.974 2.683 0.358 1.00 41.44 H HETATM 85 HB2 4J2 A 8 -2.938 0.988 1.727 1.00 40.54 H HETATM 86 HB1 4J2 A 8 -1.377 1.212 1.029 1.00 60.00 H HETATM 87 HD1 4J2 A 8 0.174 2.584 2.098 1.00 0.00 H HETATM 88 HD2 4J2 A 8 -3.913 2.941 3.043 1.00 0.00 H HETATM 89 HZ2 4J2 A 8 0.191 5.505 5.791 1.00 0.00 H HETATM 90 HZ23 4J2 A 8 -1.572 6.455 7.256 1.00 0.00 H ATOM 91 N ARG A 9 -2.001 0.826 -1.641 1.00 0.00 N ATOM 92 CA ARG A 9 -1.885 -0.438 -2.408 1.00 0.00 C ATOM 93 C ARG A 9 -1.383 -1.580 -1.469 1.00 0.00 C ATOM 94 O ARG A 9 -0.433 -1.409 -0.694 1.00 0.00 O ATOM 95 CB ARG A 9 -0.885 -0.238 -3.572 1.00 0.00 C ATOM 96 CG ARG A 9 -1.286 0.790 -4.663 1.00 0.00 C ATOM 97 CD ARG A 9 -0.220 0.992 -5.757 1.00 0.00 C ATOM 98 NE ARG A 9 -0.132 -0.194 -6.649 1.00 0.00 N ATOM 99 CZ ARG A 9 0.745 -0.350 -7.638 1.00 0.00 C ATOM 100 NH1 ARG A 9 1.657 0.529 -7.965 1.00 0.00 N ATOM 101 NH2 ARG A 9 0.684 -1.451 -8.317 1.00 0.00 N ATOM 102 H ARG A 9 -1.172 1.374 -1.359 1.00 0.00 H ATOM 103 HA ARG A 9 -2.870 -0.705 -2.844 1.00 0.00 H ATOM 104 HB2 ARG A 9 0.104 0.019 -3.152 1.00 0.00 H ATOM 105 HB3 ARG A 9 -0.729 -1.213 -4.068 1.00 0.00 H ATOM 106 HG2 ARG A 9 -2.249 0.500 -5.128 1.00 0.00 H ATOM 107 HG3 ARG A 9 -1.483 1.769 -4.185 1.00 0.00 H ATOM 108 HD2 ARG A 9 -0.483 1.885 -6.359 1.00 0.00 H ATOM 109 HD3 ARG A 9 0.761 1.214 -5.292 1.00 0.00 H ATOM 110 HH11 ARG A 9 1.643 1.371 -7.387 1.00 0.00 H ATOM 111 HH12 ARG A 9 2.273 0.294 -8.743 1.00 0.00 H ATOM 112 HH21 ARG A 9 -0.060 -2.069 -7.986 1.00 0.00 H ATOM 113 HH22 ARG A 9 1.349 -1.582 -9.078 1.00 0.00 H ATOM 114 N TRP A 10 -2.025 -2.751 -1.554 1.00 0.00 N ATOM 115 CA TRP A 10 -1.736 -3.899 -0.660 1.00 0.00 C ATOM 116 C TRP A 10 -0.847 -4.967 -1.371 1.00 0.00 C ATOM 117 O TRP A 10 -1.189 -5.529 -2.415 1.00 0.00 O ATOM 118 CB TRP A 10 -3.093 -4.451 -0.158 1.00 0.00 C ATOM 119 CG TRP A 10 -3.022 -5.722 0.698 1.00 0.00 C ATOM 120 CD1 TRP A 10 -3.331 -7.010 0.226 1.00 0.00 C ATOM 121 CD2 TRP A 10 -2.537 -5.897 1.980 1.00 0.00 C ATOM 122 NE1 TRP A 10 -3.062 -8.001 1.192 1.00 0.00 N ATOM 123 CE2 TRP A 10 -2.565 -7.284 2.271 1.00 0.00 C ATOM 124 CE3 TRP A 10 -2.012 -4.975 2.917 1.00 0.00 C ATOM 125 CZ2 TRP A 10 -2.067 -7.759 3.507 1.00 0.00 C ATOM 126 CZ3 TRP A 10 -1.534 -5.464 4.134 1.00 0.00 C ATOM 127 CH2 TRP A 10 -1.559 -6.835 4.425 1.00 0.00 C ATOM 128 H TRP A 10 -2.608 -2.860 -2.387 1.00 0.00 H ATOM 129 HA TRP A 10 -1.222 -3.532 0.254 1.00 0.00 H ATOM 130 HB2 TRP A 10 -3.608 -3.667 0.423 1.00 0.00 H ATOM 131 HB3 TRP A 10 -3.743 -4.649 -1.026 1.00 0.00 H ATOM 132 HD1 TRP A 10 -3.670 -7.193 -0.785 1.00 0.00 H ATOM 133 HE1 TRP A 10 -3.199 -9.016 1.121 1.00 0.00 H ATOM 134 HE3 TRP A 10 -1.967 -3.922 2.686 1.00 0.00 H ATOM 135 HZ2 TRP A 10 -2.071 -8.814 3.734 1.00 0.00 H ATOM 136 HZ3 TRP A 10 -1.125 -4.774 4.859 1.00 0.00 H ATOM 137 HH2 TRP A 10 -1.174 -7.184 5.372 1.00 0.00 H ATOM 138 N LYS A 11 0.264 -5.277 -0.704 1.00 74.43 N ATOM 139 CA LYS A 11 1.211 -6.350 -1.087 1.00 4.20 C ATOM 140 C LYS A 11 1.429 -7.348 0.098 1.00 11.04 C ATOM 141 O LYS A 11 2.437 -7.362 0.800 1.00 35.41 O ATOM 142 CB LYS A 11 2.498 -5.683 -1.647 1.00 41.10 C ATOM 143 CG LYS A 11 3.255 -4.663 -0.758 1.00 44.10 C ATOM 144 CD LYS A 11 4.477 -4.031 -1.465 1.00 33.11 C ATOM 145 CE LYS A 11 4.972 -2.720 -0.823 1.00 70.12 C ATOM 146 NZ LYS A 11 4.004 -1.632 -1.080 1.00 43.51 N ATOM 147 H LYS A 11 0.478 -4.618 0.059 1.00 20.44 H ATOM 148 HA LYS A 11 0.794 -6.953 -1.919 1.00 50.52 H ATOM 149 HB2 LYS A 11 3.193 -6.486 -1.931 1.00 0.00 H ATOM 150 HB3 LYS A 11 2.223 -5.181 -2.595 1.00 63.23 H ATOM 151 HG2 LYS A 11 2.549 -3.865 -0.463 1.00 0.00 H ATOM 152 HG3 LYS A 11 3.569 -5.132 0.194 1.00 60.25 H ATOM 153 HD2 LYS A 11 5.303 -4.768 -1.471 1.00 0.00 H ATOM 154 HD3 LYS A 11 4.258 -3.849 -2.536 1.00 13.13 H ATOM 155 HE2 LYS A 11 5.133 -2.853 0.266 1.00 0.00 H ATOM 156 HE3 LYS A 11 5.961 -2.448 -1.244 1.00 35.55 H ATOM 157 HZ1 LYS A 11 3.090 -1.803 -1.510 1.00 44.51 H HETATM 158 N NH2 A 12 0.497 -8.239 0.376 1.00 24.35 N HETATM 159 HN1 NH2 A 12 -0.424 -8.079 -0.047 1.00 71.12 H HETATM 160 HN2 NH2 A 12 0.704 -8.775 1.224 1.00 14.20 H TER 161 NH2 A 12