HETATM 1 C ACE A 3 2.862 -3.848 0.614 1.00 1.42 C HETATM 2 O ACE A 3 1.774 -3.952 0.050 1.00 25.23 O HETATM 3 CH3 ACE A 3 3.818 -5.022 0.668 1.00 11.32 C HETATM 4 H1 ACE A 3 4.744 -4.813 0.103 1.00 11.05 H HETATM 5 H2 ACE A 3 4.091 -5.276 1.709 1.00 31.00 H HETATM 6 H3 ACE A 3 3.353 -5.920 0.225 1.00 0.00 H HETATM 7 N NLE A 4 3.289 -2.735 1.207 1.00 24.32 N HETATM 8 CA NLE A 4 2.455 -1.511 1.343 1.00 22.54 C HETATM 9 C NLE A 4 3.147 -0.308 0.629 1.00 51.12 C HETATM 10 O NLE A 4 4.248 0.110 1.000 1.00 4.44 O HETATM 11 CB NLE A 4 2.262 -1.176 2.844 1.00 51.41 C HETATM 12 CG NLE A 4 1.536 -2.229 3.710 1.00 53.53 C HETATM 13 CD NLE A 4 1.321 -1.765 5.161 1.00 13.25 C HETATM 14 CE NLE A 4 0.632 -2.843 6.008 1.00 21.12 C HETATM 15 H NLE A 4 4.187 -2.811 1.691 1.00 73.41 H HETATM 16 HA NLE A 4 1.445 -1.672 0.906 1.00 13.34 H HETATM 17 HB2 NLE A 4 1.705 -0.225 2.916 1.00 12.25 H HETATM 18 HB3 NLE A 4 3.251 -0.948 3.282 1.00 64.43 H HETATM 19 HG2 NLE A 4 2.111 -3.175 3.704 1.00 24.40 H HETATM 20 HG3 NLE A 4 0.560 -2.471 3.254 1.00 61.35 H HETATM 21 HD2 NLE A 4 0.711 -0.841 5.176 1.00 34.12 H HETATM 22 HD3 NLE A 4 2.290 -1.494 5.624 1.00 2.42 H HETATM 23 HE1 NLE A 4 1.237 -3.768 6.072 1.00 35.54 H HETATM 24 HE2 NLE A 4 0.463 -2.493 7.043 1.00 13.20 H HETATM 25 HE3 NLE A 4 -0.355 -3.122 5.596 1.00 14.24 H ATOM 26 N ASP A 5 2.467 0.280 -0.362 1.00 42.23 N ATOM 27 CA ASP A 5 2.903 1.547 -1.009 1.00 14.33 C ATOM 28 C ASP A 5 2.175 2.776 -0.353 1.00 70.04 C ATOM 29 O ASP A 5 0.938 2.758 -0.300 1.00 71.01 O ATOM 30 CB ASP A 5 2.591 1.480 -2.523 1.00 73.01 C ATOM 31 CG ASP A 5 3.534 0.600 -3.351 1.00 3.02 C ATOM 32 OD1 ASP A 5 4.637 1.032 -3.687 1.00 41.31 O ATOM 33 H ASP A 5 1.559 -0.151 -0.583 1.00 62.10 H ATOM 34 HA ASP A 5 4.000 1.656 -0.907 1.00 60.50 H ATOM 35 HB2 ASP A 5 1.533 1.208 -2.688 1.00 0.00 H ATOM 36 HB3 ASP A 5 2.681 2.496 -2.941 1.00 72.20 H ATOM 37 N PRO A 6 2.852 3.859 0.134 1.00 64.04 N ATOM 38 CA PRO A 6 2.172 4.986 0.834 1.00 44.43 C ATOM 39 C PRO A 6 1.326 5.939 -0.096 1.00 31.44 C ATOM 40 O PRO A 6 1.747 6.177 -1.235 1.00 1.02 O ATOM 41 CB PRO A 6 3.366 5.689 1.511 1.00 53.11 C ATOM 42 CG PRO A 6 4.563 5.421 0.594 1.00 4.15 C ATOM 43 CD PRO A 6 4.318 4.012 0.055 1.00 41.55 C ATOM 44 HA PRO A 6 1.526 4.561 1.625 1.00 15.04 H ATOM 45 HB2 PRO A 6 3.200 6.770 1.686 1.00 0.00 H ATOM 46 HB3 PRO A 6 3.551 5.239 2.506 1.00 62.32 H ATOM 47 HG2 PRO A 6 4.568 6.150 -0.241 1.00 0.00 H ATOM 48 HG3 PRO A 6 5.535 5.516 1.115 1.00 31.02 H ATOM 49 HD2 PRO A 6 4.691 3.908 -0.984 1.00 0.00 H ATOM 50 HD3 PRO A 6 4.819 3.245 0.677 1.00 72.34 H ATOM 51 N PRO A 7 0.146 6.501 0.312 1.00 22.14 N ATOM 52 CA PRO A 7 -0.411 6.407 1.700 1.00 10.30 C ATOM 53 C PRO A 7 -1.171 5.109 2.150 1.00 31.43 C ATOM 54 O PRO A 7 -1.610 5.045 3.301 1.00 11.54 O ATOM 55 CB PRO A 7 -1.323 7.654 1.725 1.00 73.35 C ATOM 56 CG PRO A 7 -1.818 7.821 0.287 1.00 73.14 C ATOM 57 CD PRO A 7 -0.605 7.435 -0.555 1.00 50.35 C ATOM 58 HA PRO A 7 0.393 6.565 2.444 1.00 70.33 H ATOM 59 HB2 PRO A 7 -2.153 7.584 2.454 1.00 0.00 H ATOM 60 HB3 PRO A 7 -0.734 8.545 2.023 1.00 33.33 H ATOM 61 HG2 PRO A 7 -2.660 7.129 0.089 1.00 0.00 H ATOM 62 HG3 PRO A 7 -2.179 8.845 0.073 1.00 23.41 H ATOM 63 HD2 PRO A 7 -0.896 6.968 -1.517 1.00 0.00 H ATOM 64 HD3 PRO A 7 0.015 8.322 -0.793 1.00 41.43 H HETATM 65 N DPN A 8 -1.298 4.076 1.298 1.00 0.00 N HETATM 66 CA DPN A 8 -1.912 2.769 1.675 1.00 0.00 C HETATM 67 C DPN A 8 -2.540 2.062 0.432 1.00 0.00 C HETATM 68 O DPN A 8 -3.760 1.887 0.363 1.00 0.00 O HETATM 69 CB DPN A 8 -0.870 1.883 2.433 1.00 0.00 C HETATM 70 CG DPN A 8 -1.475 0.688 3.187 1.00 0.00 C HETATM 71 CD1 DPN A 8 -1.907 0.843 4.508 1.00 0.00 C HETATM 72 CD2 DPN A 8 -1.631 -0.550 2.554 1.00 0.00 C HETATM 73 CE1 DPN A 8 -2.493 -0.224 5.184 1.00 0.00 C HETATM 74 CE2 DPN A 8 -2.227 -1.613 3.228 1.00 0.00 C HETATM 75 CZ DPN A 8 -2.656 -1.450 4.543 1.00 0.00 C HETATM 76 H DPN A 8 -0.790 4.214 0.417 1.00 0.00 H HETATM 77 HA DPN A 8 -2.757 2.968 2.365 1.00 0.00 H HETATM 78 HB2 DPN A 8 -0.301 2.509 3.139 1.00 0.00 H HETATM 79 HB3 DPN A 8 -0.082 1.529 1.740 1.00 0.00 H HETATM 80 HD1 DPN A 8 -1.800 1.794 5.011 1.00 0.00 H HETATM 81 HD2 DPN A 8 -1.300 -0.690 1.535 1.00 0.00 H HETATM 82 HE1 DPN A 8 -2.825 -0.097 6.204 1.00 0.00 H HETATM 83 HE2 DPN A 8 -2.355 -2.563 2.734 1.00 0.00 H HETATM 84 HZ DPN A 8 -3.115 -2.277 5.067 1.00 0.00 H ATOM 85 N ARG A 9 -1.699 1.614 -0.516 1.00 61.01 N ATOM 86 CA ARG A 9 -2.092 0.664 -1.586 1.00 53.23 C ATOM 87 C ARG A 9 -1.293 -0.664 -1.399 1.00 34.42 C ATOM 88 O ARG A 9 -0.066 -0.667 -1.245 1.00 75.42 O ATOM 89 CB ARG A 9 -1.827 1.291 -2.981 1.00 42.11 C ATOM 90 CG ARG A 9 -2.522 2.633 -3.335 1.00 51.03 C ATOM 91 CD ARG A 9 -4.059 2.613 -3.229 1.00 32.53 C ATOM 92 NE ARG A 9 -4.606 3.940 -3.627 1.00 61.34 N ATOM 93 CZ ARG A 9 -5.847 4.365 -3.387 1.00 21.04 C ATOM 94 NH1 ARG A 9 -6.749 3.656 -2.755 1.00 62.52 N ATOM 95 NH2 ARG A 9 -6.181 5.553 -3.802 1.00 5.43 N ATOM 96 H ARG A 9 -0.714 1.874 -0.358 1.00 0.22 H ATOM 97 HA ARG A 9 -3.176 0.439 -1.522 1.00 25.44 H ATOM 98 HB2 ARG A 9 -0.736 1.422 -3.098 1.00 0.00 H ATOM 99 HB3 ARG A 9 -2.095 0.537 -3.742 1.00 63.23 H ATOM 100 HG2 ARG A 9 -2.115 3.427 -2.677 1.00 0.00 H ATOM 101 HG3 ARG A 9 -2.216 2.923 -4.359 1.00 34.21 H ATOM 102 HD2 ARG A 9 -4.477 1.811 -3.871 1.00 0.00 H ATOM 103 HD3 ARG A 9 -4.343 2.365 -2.185 1.00 22.22 H ATOM 104 HE ARG A 9 -4.020 4.613 -4.128 1.00 0.00 H ATOM 105 HH11 ARG A 9 -6.420 2.740 -2.447 1.00 0.00 H ATOM 106 HH12 ARG A 9 -7.676 4.060 -2.606 1.00 0.00 H ATOM 107 HH21 ARG A 9 -5.467 6.091 -4.296 1.00 0.00 H ATOM 108 HH22 ARG A 9 -7.137 5.861 -3.611 1.00 0.00 H ATOM 109 N TRP A 10 -2.003 -1.799 -1.398 1.00 0.00 N ATOM 110 CA TRP A 10 -1.401 -3.131 -1.145 1.00 0.00 C ATOM 111 C TRP A 10 -0.880 -3.800 -2.459 1.00 0.00 C ATOM 112 O TRP A 10 -1.531 -3.782 -3.508 1.00 0.00 O ATOM 113 CB TRP A 10 -2.487 -3.958 -0.412 1.00 0.00 C ATOM 114 CG TRP A 10 -2.086 -5.378 -0.005 1.00 0.00 C ATOM 115 CD1 TRP A 10 -2.503 -6.539 -0.675 1.00 0.00 C ATOM 116 CD2 TRP A 10 -1.248 -5.805 1.004 1.00 0.00 C ATOM 117 NE1 TRP A 10 -1.937 -7.702 -0.110 1.00 0.00 N ATOM 118 CE2 TRP A 10 -1.159 -7.217 0.931 1.00 0.00 C ATOM 119 CE3 TRP A 10 -0.522 -5.088 1.985 1.00 0.00 C ATOM 120 CZ2 TRP A 10 -0.337 -7.923 1.840 1.00 0.00 C ATOM 121 CZ3 TRP A 10 0.281 -5.805 2.874 1.00 0.00 C ATOM 122 CH2 TRP A 10 0.373 -7.201 2.803 1.00 0.00 C ATOM 123 H TRP A 10 -2.961 -1.714 -1.743 1.00 0.00 H ATOM 124 HA TRP A 10 -0.558 -3.012 -0.431 1.00 0.00 H ATOM 125 HB2 TRP A 10 -2.802 -3.428 0.504 1.00 0.00 H ATOM 126 HB3 TRP A 10 -3.392 -4.014 -1.042 1.00 0.00 H ATOM 127 HD1 TRP A 10 -3.153 -6.505 -1.537 1.00 0.00 H ATOM 128 HE1 TRP A 10 -2.088 -8.681 -0.380 1.00 0.00 H ATOM 129 HE3 TRP A 10 -0.577 -4.012 2.024 1.00 0.00 H ATOM 130 HZ2 TRP A 10 -0.259 -8.999 1.789 1.00 0.00 H ATOM 131 HZ3 TRP A 10 0.844 -5.274 3.628 1.00 0.00 H ATOM 132 HH2 TRP A 10 1.005 -7.728 3.503 1.00 0.00 H ATOM 133 N LYS A 11 0.294 -4.428 -2.348 1.00 74.43 N ATOM 134 CA LYS A 11 0.968 -5.120 -3.484 1.00 4.20 C ATOM 135 C LYS A 11 0.443 -6.563 -3.782 1.00 11.04 C ATOM 136 O LYS A 11 0.176 -6.915 -4.927 1.00 35.41 O ATOM 137 CB LYS A 11 2.505 -5.109 -3.236 1.00 41.10 C ATOM 138 CG LYS A 11 3.217 -3.736 -3.177 1.00 44.10 C ATOM 139 CD LYS A 11 3.227 -2.956 -4.512 1.00 33.11 C ATOM 140 CE LYS A 11 3.910 -1.577 -4.437 1.00 70.12 C ATOM 141 NZ LYS A 11 3.089 -0.616 -3.670 1.00 43.51 N ATOM 142 H LYS A 11 0.748 -4.288 -1.431 1.00 20.44 H ATOM 143 HA LYS A 11 0.780 -4.548 -4.414 1.00 50.52 H ATOM 144 HB2 LYS A 11 2.719 -5.649 -2.292 1.00 0.00 H ATOM 145 HB3 LYS A 11 3.001 -5.717 -4.014 1.00 63.23 H ATOM 146 HG2 LYS A 11 2.761 -3.118 -2.379 1.00 0.00 H ATOM 147 HG3 LYS A 11 4.262 -3.893 -2.844 1.00 60.25 H ATOM 148 HD2 LYS A 11 3.748 -3.565 -5.275 1.00 0.00 H ATOM 149 HD3 LYS A 11 2.198 -2.833 -4.902 1.00 13.13 H ATOM 150 HE2 LYS A 11 4.923 -1.672 -3.995 1.00 0.00 H ATOM 151 HE3 LYS A 11 4.069 -1.186 -5.462 1.00 35.55 H ATOM 152 HZ1 LYS A 11 2.187 -0.864 -3.253 1.00 44.51 H HETATM 153 N NH2 A 12 0.295 -7.465 -2.828 1.00 24.35 N HETATM 154 HN1 NH2 A 12 0.317 -7.111 -1.866 1.00 71.12 H HETATM 155 HN2 NH2 A 12 -0.125 -8.337 -3.164 1.00 14.20 H TER 156 NH2 A 12