HETATM 1 C ACE A 3 2.189 -2.941 3.895 1.00 1.42 C HETATM 2 O ACE A 3 2.975 -3.014 2.955 1.00 25.23 O HETATM 3 CH3 ACE A 3 2.519 -3.572 5.234 1.00 11.32 C HETATM 4 H1 ACE A 3 1.778 -4.344 5.511 1.00 11.05 H HETATM 5 H2 ACE A 3 3.508 -4.065 5.195 1.00 31.00 H HETATM 6 H3 ACE A 3 2.558 -2.816 6.038 1.00 0.00 H HETATM 7 N NLE A 4 1.009 -2.326 3.834 1.00 24.32 N HETATM 8 CA NLE A 4 0.479 -1.688 2.599 1.00 22.54 C HETATM 9 C NLE A 4 1.251 -0.415 2.106 1.00 51.12 C HETATM 10 O NLE A 4 1.757 0.389 2.896 1.00 4.44 O HETATM 11 CB NLE A 4 -1.046 -1.465 2.798 1.00 51.41 C HETATM 12 CG NLE A 4 -1.499 -0.446 3.871 1.00 53.53 C HETATM 13 CD NLE A 4 -3.025 -0.406 4.058 1.00 13.25 C HETATM 14 CE NLE A 4 -3.439 0.712 5.024 1.00 21.12 C HETATM 15 H NLE A 4 0.478 -2.325 4.707 1.00 73.41 H HETATM 16 HA NLE A 4 0.568 -2.449 1.795 1.00 13.34 H HETATM 17 HB2 NLE A 4 -1.509 -2.444 3.005 1.00 12.25 H HETATM 18 HB3 NLE A 4 -1.484 -1.163 1.830 1.00 64.43 H HETATM 19 HG2 NLE A 4 -1.126 0.554 3.599 1.00 24.40 H HETATM 20 HG3 NLE A 4 -1.025 -0.655 4.845 1.00 61.35 H HETATM 21 HD2 NLE A 4 -3.388 -1.381 4.437 1.00 34.12 H HETATM 22 HD3 NLE A 4 -3.531 -0.259 3.086 1.00 2.42 H HETATM 23 HE1 NLE A 4 -2.998 0.572 6.028 1.00 35.54 H HETATM 24 HE2 NLE A 4 -3.117 1.707 4.662 1.00 13.20 H HETATM 25 HE3 NLE A 4 -4.536 0.752 5.149 1.00 14.24 H ATOM 26 N ASP A 5 1.340 -0.254 0.777 1.00 42.23 N ATOM 27 CA ASP A 5 2.190 0.784 0.132 1.00 14.33 C ATOM 28 C ASP A 5 1.379 2.067 -0.289 1.00 70.04 C ATOM 29 O ASP A 5 0.334 1.914 -0.938 1.00 71.01 O ATOM 30 CB ASP A 5 2.878 0.146 -1.103 1.00 73.01 C ATOM 31 CG ASP A 5 4.095 -0.734 -0.792 1.00 3.02 C ATOM 32 OD1 ASP A 5 5.142 -0.205 -0.416 1.00 41.31 O ATOM 33 H ASP A 5 0.696 -0.846 0.229 1.00 62.10 H ATOM 34 HA ASP A 5 2.992 1.073 0.839 1.00 60.50 H ATOM 35 HB2 ASP A 5 2.137 -0.371 -1.741 1.00 0.00 H ATOM 36 HB3 ASP A 5 3.264 0.959 -1.742 1.00 72.20 H ATOM 37 N PRO A 6 1.799 3.335 0.026 1.00 64.04 N ATOM 38 CA PRO A 6 1.006 4.557 -0.294 1.00 44.43 C ATOM 39 C PRO A 6 0.854 4.901 -1.822 1.00 31.44 C ATOM 40 O PRO A 6 1.815 4.692 -2.571 1.00 1.02 O ATOM 41 CB PRO A 6 1.721 5.653 0.520 1.00 53.11 C ATOM 42 CG PRO A 6 3.149 5.141 0.716 1.00 4.15 C ATOM 43 CD PRO A 6 2.984 3.629 0.854 1.00 41.55 C ATOM 44 HA PRO A 6 0.005 4.421 0.148 1.00 15.04 H ATOM 45 HB2 PRO A 6 1.695 6.650 0.041 1.00 0.00 H ATOM 46 HB3 PRO A 6 1.228 5.772 1.505 1.00 62.32 H ATOM 47 HG2 PRO A 6 3.762 5.376 -0.177 1.00 0.00 H ATOM 48 HG3 PRO A 6 3.654 5.597 1.588 1.00 31.02 H ATOM 49 HD2 PRO A 6 3.892 3.099 0.512 1.00 0.00 H ATOM 50 HD3 PRO A 6 2.791 3.340 1.907 1.00 72.34 H ATOM 51 N PRO A 7 -0.310 5.408 -2.339 1.00 22.14 N ATOM 52 CA PRO A 7 -1.474 5.878 -1.519 1.00 10.30 C ATOM 53 C PRO A 7 -2.543 4.838 -1.011 1.00 31.43 C ATOM 54 O PRO A 7 -3.633 5.245 -0.604 1.00 11.54 O ATOM 55 CB PRO A 7 -2.072 6.928 -2.482 1.00 73.35 C ATOM 56 CG PRO A 7 -1.815 6.378 -3.887 1.00 73.14 C ATOM 57 CD PRO A 7 -0.429 5.748 -3.773 1.00 50.35 C ATOM 58 HA PRO A 7 -1.121 6.416 -0.618 1.00 70.33 H ATOM 59 HB2 PRO A 7 -3.145 7.138 -2.303 1.00 0.00 H ATOM 60 HB3 PRO A 7 -1.550 7.897 -2.358 1.00 33.33 H ATOM 61 HG2 PRO A 7 -2.568 5.605 -4.140 1.00 0.00 H ATOM 62 HG3 PRO A 7 -1.868 7.155 -4.672 1.00 23.41 H ATOM 63 HD2 PRO A 7 -0.322 4.856 -4.421 1.00 0.00 H ATOM 64 HD3 PRO A 7 0.361 6.469 -4.068 1.00 41.43 H HETATM 65 N 4J2 A 8 -2.228 3.532 -0.969 1.00 55.11 N HETATM 66 CA 4J2 A 8 -3.094 2.485 -0.357 1.00 24.43 C HETATM 67 CB 4J2 A 8 -2.487 1.939 0.970 1.00 10.34 C HETATM 68 CG 4J2 A 8 -1.991 2.929 2.031 1.00 12.23 C HETATM 69 CD1 4J2 A 8 -0.663 2.892 2.439 1.00 0.11 C HETATM 70 CD2 4J2 A 8 -2.855 3.870 2.573 1.00 72.21 C HETATM 71 CE1 4J2 A 8 -0.167 3.800 3.361 1.00 51.02 C HETATM 72 CZ1 4J2 A 8 -1.007 4.776 3.890 1.00 50.12 C HETATM 73 CZ2 4J2 A 8 -0.526 5.721 4.791 1.00 30.24 C HETATM 74 CZ3 4J2 A 8 -1.381 6.691 5.309 1.00 44.51 C HETATM 75 CE2 4J2 A 8 -2.391 4.812 3.493 1.00 75.11 C HETATM 76 CE3 4J2 A 8 -3.227 5.793 4.027 1.00 3.32 C HETATM 77 CE4 4J2 A 8 -2.721 6.725 4.931 1.00 51.13 C HETATM 78 C 4J2 A 8 -3.374 1.293 -1.327 1.00 22.34 C HETATM 79 HE1 4J2 A 8 0.875 3.738 3.644 1.00 0.00 H HETATM 80 O 4J2 A 8 -4.520 0.864 -1.468 1.00 52.33 O HETATM 81 HE3 4J2 A 8 -4.270 5.846 3.744 1.00 0.00 H HETATM 82 HE4 4J2 A 8 -3.374 7.484 5.338 1.00 0.00 H HETATM 83 H 4J2 A 8 -1.243 3.323 -1.155 1.00 71.33 H HETATM 84 HA 4J2 A 8 -4.075 2.911 -0.088 1.00 41.44 H HETATM 85 HB2 4J2 A 8 -3.253 1.307 1.441 1.00 40.54 H HETATM 86 HB1 4J2 A 8 -1.674 1.232 0.738 1.00 60.00 H HETATM 87 HD1 4J2 A 8 -0.016 2.147 2.019 1.00 0.00 H HETATM 88 HD2 4J2 A 8 -3.870 3.832 2.220 1.00 0.00 H HETATM 89 HZ2 4J2 A 8 0.517 5.700 5.078 1.00 0.00 H HETATM 90 HZ23 4J2 A 8 -1.002 7.422 6.007 1.00 0.00 H ATOM 91 N ARG A 9 -2.307 0.705 -1.904 1.00 0.00 N ATOM 92 CA ARG A 9 -2.334 -0.675 -2.453 1.00 0.00 C ATOM 93 C ARG A 9 -1.800 -1.683 -1.393 1.00 0.00 C ATOM 94 O ARG A 9 -0.854 -1.412 -0.642 1.00 0.00 O ATOM 95 CB ARG A 9 -1.474 -0.730 -3.746 1.00 0.00 C ATOM 96 CG ARG A 9 -2.213 -0.283 -5.036 1.00 0.00 C ATOM 97 CD ARG A 9 -2.882 -1.418 -5.846 1.00 0.00 C ATOM 98 NE ARG A 9 -4.010 -2.074 -5.128 1.00 0.00 N ATOM 99 CZ ARG A 9 -4.005 -3.301 -4.606 1.00 0.00 C ATOM 100 NH1 ARG A 9 -2.985 -4.119 -4.636 1.00 0.00 N ATOM 101 NH2 ARG A 9 -5.087 -3.697 -4.018 1.00 0.00 N ATOM 102 H ARG A 9 -1.425 1.149 -1.607 1.00 0.00 H ATOM 103 HA ARG A 9 -3.376 -0.956 -2.713 1.00 0.00 H ATOM 104 HB2 ARG A 9 -0.553 -0.138 -3.600 1.00 0.00 H ATOM 105 HB3 ARG A 9 -1.092 -1.755 -3.904 1.00 0.00 H ATOM 106 HG2 ARG A 9 -2.957 0.505 -4.805 1.00 0.00 H ATOM 107 HG3 ARG A 9 -1.483 0.219 -5.700 1.00 0.00 H ATOM 108 HD2 ARG A 9 -3.293 -0.986 -6.779 1.00 0.00 H ATOM 109 HD3 ARG A 9 -2.122 -2.139 -6.203 1.00 0.00 H ATOM 110 HH11 ARG A 9 -2.166 -3.748 -5.119 1.00 0.00 H ATOM 111 HH12 ARG A 9 -3.108 -5.043 -4.217 1.00 0.00 H ATOM 112 HH21 ARG A 9 -5.829 -2.996 -4.065 1.00 0.00 H ATOM 113 HH22 ARG A 9 -5.116 -4.649 -3.651 1.00 0.00 H ATOM 114 N TRP A 10 -2.391 -2.886 -1.370 1.00 0.00 N ATOM 115 CA TRP A 10 -1.949 -3.971 -0.467 1.00 0.00 C ATOM 116 C TRP A 10 -0.684 -4.693 -1.036 1.00 0.00 C ATOM 117 O TRP A 10 -0.599 -5.058 -2.214 1.00 0.00 O ATOM 118 CB TRP A 10 -3.167 -4.898 -0.222 1.00 0.00 C ATOM 119 CG TRP A 10 -2.883 -6.058 0.737 1.00 0.00 C ATOM 120 CD1 TRP A 10 -2.511 -7.348 0.321 1.00 0.00 C ATOM 121 CD2 TRP A 10 -2.696 -6.032 2.105 1.00 0.00 C ATOM 122 NE1 TRP A 10 -2.082 -8.142 1.403 1.00 0.00 N ATOM 123 CE2 TRP A 10 -2.192 -7.298 2.497 1.00 0.00 C ATOM 124 CE3 TRP A 10 -2.828 -4.984 3.051 1.00 0.00 C ATOM 125 CZ2 TRP A 10 -1.799 -7.518 3.837 1.00 0.00 C ATOM 126 CZ3 TRP A 10 -2.445 -5.230 4.371 1.00 0.00 C ATOM 127 CH2 TRP A 10 -1.937 -6.476 4.758 1.00 0.00 C ATOM 128 H TRP A 10 -2.885 -3.110 -2.238 1.00 0.00 H ATOM 129 HA TRP A 10 -1.703 -3.518 0.517 1.00 0.00 H ATOM 130 HB2 TRP A 10 -4.008 -4.312 0.185 1.00 0.00 H ATOM 131 HB3 TRP A 10 -3.532 -5.302 -1.183 1.00 0.00 H ATOM 132 HD1 TRP A 10 -2.449 -7.622 -0.723 1.00 0.00 H ATOM 133 HE1 TRP A 10 -1.676 -9.084 1.383 1.00 0.00 H ATOM 134 HE3 TRP A 10 -3.210 -4.016 2.757 1.00 0.00 H ATOM 135 HZ2 TRP A 10 -1.384 -8.470 4.134 1.00 0.00 H ATOM 136 HZ3 TRP A 10 -2.538 -4.442 5.105 1.00 0.00 H ATOM 137 HH2 TRP A 10 -1.640 -6.633 5.785 1.00 0.00 H ATOM 138 N LYS A 11 0.283 -4.916 -0.142 1.00 74.43 N ATOM 139 CA LYS A 11 1.568 -5.573 -0.464 1.00 4.20 C ATOM 140 C LYS A 11 1.442 -7.120 -0.301 1.00 11.04 C ATOM 141 O LYS A 11 1.763 -7.725 0.720 1.00 35.41 O ATOM 142 CB LYS A 11 2.584 -4.898 0.494 1.00 41.10 C ATOM 143 CG LYS A 11 4.069 -5.202 0.229 1.00 44.10 C ATOM 144 CD LYS A 11 4.717 -4.468 -0.971 1.00 33.11 C ATOM 145 CE LYS A 11 5.088 -2.985 -0.742 1.00 70.12 C ATOM 146 NZ LYS A 11 3.963 -2.052 -0.972 1.00 43.51 N ATOM 147 H LYS A 11 -0.006 -4.792 0.828 1.00 20.44 H ATOM 148 HA LYS A 11 1.868 -5.342 -1.508 1.00 50.52 H ATOM 149 HB2 LYS A 11 2.459 -3.797 0.508 1.00 0.00 H ATOM 150 HB3 LYS A 11 2.356 -5.204 1.534 1.00 63.23 H ATOM 151 HG2 LYS A 11 4.625 -4.963 1.153 1.00 0.00 H ATOM 152 HG3 LYS A 11 4.188 -6.296 0.111 1.00 60.25 H ATOM 153 HD2 LYS A 11 5.659 -5.001 -1.199 1.00 0.00 H ATOM 154 HD3 LYS A 11 4.114 -4.588 -1.890 1.00 13.13 H ATOM 155 HE2 LYS A 11 5.505 -2.846 0.277 1.00 0.00 H ATOM 156 HE3 LYS A 11 5.917 -2.715 -1.427 1.00 35.55 H ATOM 157 HZ1 LYS A 11 3.022 -2.353 -1.240 1.00 44.51 H HETATM 158 N NH2 A 12 0.916 -7.824 -1.280 1.00 24.35 N HETATM 159 HN1 NH2 A 12 0.657 -8.755 -0.952 1.00 71.12 H HETATM 160 HN2 NH2 A 12 0.462 -7.274 -2.018 1.00 14.20 H TER 161 NH2 A 12