HETATM 1 C ACE A 1 -8.385 5.911 -3.875 1.00 0.00 C HETATM 2 O ACE A 1 -7.360 5.881 -3.195 1.00 0.00 O HETATM 3 CH3 ACE A 1 -9.147 7.181 -4.039 1.00 0.00 C HETATM 4 H1 ACE A 1 -8.603 7.995 -3.560 1.00 0.00 H HETATM 5 H2 ACE A 1 -9.267 7.397 -5.101 1.00 0.00 H HETATM 6 H3 ACE A 1 -10.129 7.077 -3.576 1.00 0.00 H ATOM 7 N ILE A 2 -8.899 4.864 -4.504 1.00 0.00 N ATOM 8 CA ILE A 2 -8.261 3.561 -4.433 1.00 0.00 C ATOM 9 C ILE A 2 -8.190 2.953 -5.835 1.00 0.00 C ATOM 10 O ILE A 2 -8.504 1.779 -6.024 1.00 0.00 O ATOM 11 CB ILE A 2 -8.974 2.671 -3.413 1.00 0.00 C ATOM 12 CG1 ILE A 2 -10.446 2.481 -3.785 1.00 0.00 C ATOM 13 CG2 ILE A 2 -8.807 3.219 -1.994 1.00 0.00 C ATOM 14 CD1 ILE A 2 -10.669 1.133 -4.471 1.00 0.00 C ATOM 15 H ILE A 2 -9.733 4.896 -5.055 1.00 0.00 H ATOM 16 HA ILE A 2 -7.244 3.713 -4.071 1.00 0.00 H ATOM 17 HB ILE A 2 -8.507 1.686 -3.434 1.00 0.00 H ATOM 18 HG13 ILE A 2 -10.765 3.287 -4.446 1.00 0.00 H ATOM 19 HG21 ILE A 2 -8.446 4.247 -2.043 1.00 0.00 H ATOM 20 HG22 ILE A 2 -9.768 3.196 -1.480 1.00 0.00 H ATOM 21 HG23 ILE A 2 -8.088 2.607 -1.450 1.00 0.00 H ATOM 22 HD11 ILE A 2 -11.645 0.738 -4.188 1.00 0.00 H ATOM 23 HD12 ILE A 2 -10.631 1.265 -5.552 1.00 0.00 H ATOM 24 HD13 ILE A 2 -9.891 0.435 -4.164 1.00 0.00 H ATOM 25 N TRP A 3 -7.778 3.782 -6.784 1.00 0.00 N ATOM 26 CA TRP A 3 -7.662 3.342 -8.163 1.00 0.00 C ATOM 27 C TRP A 3 -6.203 3.507 -8.592 1.00 0.00 C ATOM 28 O TRP A 3 -5.925 3.873 -9.732 1.00 0.00 O ATOM 29 CB TRP A 3 -8.639 4.100 -9.064 1.00 0.00 C ATOM 30 CG TRP A 3 -9.886 3.299 -9.443 1.00 0.00 C ATOM 31 CD1 TRP A 3 -10.022 2.401 -10.429 1.00 0.00 C ATOM 32 CD2 TRP A 3 -11.176 3.361 -8.799 1.00 0.00 C ATOM 33 NE1 TRP A 3 -11.300 1.882 -10.467 1.00 0.00 N ATOM 34 CE2 TRP A 3 -12.024 2.484 -9.444 1.00 0.00 C ATOM 35 CE3 TRP A 3 -11.612 4.131 -7.707 1.00 0.00 C ATOM 36 CZ2 TRP A 3 -13.360 2.294 -9.071 1.00 0.00 C ATOM 37 CZ3 TRP A 3 -12.949 3.930 -7.346 1.00 0.00 C ATOM 38 CH2 TRP A 3 -13.816 3.052 -7.985 1.00 0.00 C ATOM 39 H TRP A 3 -7.524 4.736 -6.622 1.00 0.00 H ATOM 40 HA TRP A 3 -7.946 2.291 -8.202 1.00 0.00 H ATOM 41 HB3 TRP A 3 -8.120 4.398 -9.976 1.00 0.00 H ATOM 42 HD1 TRP A 3 -9.224 2.118 -11.115 1.00 0.00 H ATOM 43 HE1 TRP A 3 -11.673 1.137 -11.169 1.00 0.00 H ATOM 44 HE3 TRP A 3 -10.962 4.830 -7.180 1.00 0.00 H ATOM 45 HZ2 TRP A 3 -14.010 1.595 -9.597 1.00 0.00 H ATOM 46 HZ3 TRP A 3 -13.339 4.504 -6.505 1.00 0.00 H ATOM 47 HH2 TRP A 3 -14.846 2.952 -7.643 1.00 0.00 H ATOM 48 N GLY A 4 -5.309 3.227 -7.655 1.00 0.00 N ATOM 49 CA GLY A 4 -3.886 3.339 -7.921 1.00 0.00 C ATOM 50 C GLY A 4 -3.070 3.130 -6.643 1.00 0.00 C ATOM 51 O GLY A 4 -2.599 2.026 -6.377 1.00 0.00 O ATOM 52 H GLY A 4 -5.544 2.929 -6.729 1.00 0.00 H ATOM 53 HA2 GLY A 4 -3.592 2.602 -8.668 1.00 0.00 H ATOM 54 HA3 GLY A 4 -3.666 4.321 -8.340 1.00 0.00 H ATOM 55 N CYS A 5 -2.928 4.209 -5.887 1.00 0.00 N ATOM 56 CA CYS A 5 -2.178 4.158 -4.644 1.00 0.00 C ATOM 57 C CYS A 5 -2.522 5.403 -3.824 1.00 0.00 C ATOM 58 O CYS A 5 -2.611 6.519 -4.335 1.00 0.00 O ATOM 59 CB CYS A 5 -0.674 4.037 -4.895 1.00 0.00 C ATOM 60 SG CYS A 5 0.169 2.746 -3.908 1.00 0.00 S ATOM 61 H CYS A 5 -3.314 5.103 -6.112 1.00 0.00 H ATOM 62 HA CYS A 5 -2.495 3.253 -4.124 1.00 0.00 H ATOM 63 HB3 CYS A 5 -0.206 4.999 -4.684 1.00 0.00 H HETATM 64 N B3S A 6 -2.717 5.185 -2.519 1.00 0.00 N HETATM 65 OD B3S A 6 -2.583 4.893 0.508 1.00 0.00 O HETATM 66 CG B3S A 6 -3.479 5.739 -0.217 1.00 0.00 C HETATM 67 CB B3S A 6 -2.860 6.280 -1.528 1.00 0.00 C HETATM 68 CA B3S A 6 -1.482 6.938 -1.265 1.00 0.00 C HETATM 69 C B3S A 6 -0.480 6.093 -0.473 1.00 0.00 C HETATM 70 O B3S A 6 0.112 6.614 0.471 1.00 0.00 O HETATM 71 H B3S A 6 -2.607 4.204 -2.247 1.00 0.00 H HETATM 72 HD B3S A 6 -2.596 5.209 1.418 1.00 0.00 H HETATM 73 HG2 B3S A 6 -4.409 5.183 -0.447 1.00 0.00 H HETATM 74 HB B3S A 6 -3.545 7.062 -1.922 1.00 0.00 H HETATM 75 HA1 B3S A 6 -1.020 7.238 -2.224 1.00 0.00 H HETATM 76 HA2 B3S A 6 -1.620 7.894 -0.727 1.00 0.00 H ATOM 77 N GLY A 7 -0.302 4.841 -0.869 1.00 0.00 N ATOM 78 CA GLY A 7 0.639 3.967 -0.190 1.00 0.00 C ATOM 79 C GLY A 7 2.082 4.343 -0.534 1.00 0.00 C ATOM 80 O GLY A 7 2.777 3.593 -1.218 1.00 0.00 O ATOM 81 H GLY A 7 -0.786 4.424 -1.639 1.00 0.00 H ATOM 82 HA2 GLY A 7 0.490 4.032 0.887 1.00 0.00 H ATOM 83 HA3 GLY A 7 0.452 2.932 -0.476 1.00 0.00 H ATOM 84 N LYS A 8 2.491 5.503 -0.043 1.00 0.00 N ATOM 85 CA LYS A 8 3.838 5.988 -0.290 1.00 0.00 C ATOM 86 C LYS A 8 4.836 5.124 0.484 1.00 0.00 C ATOM 87 O LYS A 8 5.565 5.625 1.339 1.00 0.00 O ATOM 88 CB LYS A 8 3.939 7.480 0.032 1.00 0.00 C ATOM 89 CG LYS A 8 4.287 8.289 -1.219 1.00 0.00 C ATOM 90 CD LYS A 8 3.601 9.657 -1.196 1.00 0.00 C ATOM 91 CE LYS A 8 3.474 10.229 -2.609 1.00 0.00 C ATOM 92 NZ LYS A 8 2.342 11.181 -2.682 1.00 0.00 N ATOM 93 H LYS A 8 1.920 6.108 0.513 1.00 0.00 H ATOM 94 HA LYS A 8 4.037 5.874 -1.355 1.00 0.00 H ATOM 95 HB3 LYS A 8 4.699 7.641 0.797 1.00 0.00 H ATOM 96 HG3 LYS A 8 3.981 7.739 -2.108 1.00 0.00 H ATOM 97 HD3 LYS A 8 4.172 10.343 -0.571 1.00 0.00 H ATOM 98 HE3 LYS A 8 3.323 9.420 -3.323 1.00 0.00 H ATOM 99 HZ1 LYS A 8 1.794 11.185 -1.829 1.00 0.00 H ATOM 100 HZ2 LYS A 8 2.657 12.133 -2.834 1.00 0.00 H ATOM 101 N LEU A 9 4.836 3.840 0.157 1.00 0.00 N ATOM 102 CA LEU A 9 5.732 2.900 0.810 1.00 0.00 C ATOM 103 C LEU A 9 5.776 1.600 0.006 1.00 0.00 C ATOM 104 O LEU A 9 6.844 1.021 -0.187 1.00 0.00 O ATOM 105 CB LEU A 9 5.329 2.706 2.273 1.00 0.00 C ATOM 106 CG LEU A 9 5.973 1.519 2.994 1.00 0.00 C ATOM 107 CD1 LEU A 9 7.469 1.756 3.212 1.00 0.00 C ATOM 108 CD2 LEU A 9 5.245 1.212 4.303 1.00 0.00 C ATOM 109 H LEU A 9 4.240 3.440 -0.539 1.00 0.00 H ATOM 110 HA LEU A 9 6.728 3.343 0.807 1.00 0.00 H ATOM 111 HB3 LEU A 9 4.247 2.589 2.319 1.00 0.00 H ATOM 112 HG LEU A 9 5.876 0.640 2.358 1.00 0.00 H ATOM 113 HD11 LEU A 9 8.007 0.817 3.086 1.00 0.00 H ATOM 114 HD12 LEU A 9 7.831 2.483 2.484 1.00 0.00 H ATOM 115 HD13 LEU A 9 7.633 2.138 4.219 1.00 0.00 H ATOM 116 HD21 LEU A 9 5.045 0.142 4.366 1.00 0.00 H ATOM 117 HD22 LEU A 9 5.867 1.516 5.145 1.00 0.00 H ATOM 118 HD23 LEU A 9 4.302 1.760 4.333 1.00 0.00 H ATOM 119 N ILE A 10 4.603 1.178 -0.442 1.00 0.00 N ATOM 120 CA ILE A 10 4.493 -0.043 -1.221 1.00 0.00 C ATOM 121 C ILE A 10 3.148 -0.061 -1.947 1.00 0.00 C ATOM 122 O ILE A 10 2.097 -0.157 -1.313 1.00 0.00 O ATOM 123 CB ILE A 10 4.731 -1.268 -0.334 1.00 0.00 C ATOM 124 CG1 ILE A 10 5.542 -2.332 -1.076 1.00 0.00 C ATOM 125 CG2 ILE A 10 3.409 -1.822 0.200 1.00 0.00 C ATOM 126 CD1 ILE A 10 6.874 -1.764 -1.567 1.00 0.00 C ATOM 127 H ILE A 10 3.738 1.654 -0.280 1.00 0.00 H ATOM 128 HA ILE A 10 5.288 -0.026 -1.967 1.00 0.00 H ATOM 129 HB ILE A 10 5.321 -0.956 0.528 1.00 0.00 H ATOM 130 HG13 ILE A 10 4.968 -2.707 -1.922 1.00 0.00 H ATOM 131 HG21 ILE A 10 3.609 -2.668 0.856 1.00 0.00 H ATOM 132 HG22 ILE A 10 2.888 -1.044 0.759 1.00 0.00 H ATOM 133 HG23 ILE A 10 2.788 -2.148 -0.634 1.00 0.00 H ATOM 134 HD11 ILE A 10 7.599 -2.572 -1.667 1.00 0.00 H ATOM 135 HD12 ILE A 10 6.729 -1.284 -2.535 1.00 0.00 H ATOM 136 HD13 ILE A 10 7.244 -1.030 -0.850 1.00 0.00 H ATOM 137 N CYS A 11 3.222 0.032 -3.267 1.00 0.00 N ATOM 138 CA CYS A 11 2.022 0.027 -4.086 1.00 0.00 C ATOM 139 C CYS A 11 1.740 -1.413 -4.518 1.00 0.00 C ATOM 140 O CYS A 11 1.103 -1.644 -5.544 1.00 0.00 O ATOM 141 CB CYS A 11 2.152 0.968 -5.286 1.00 0.00 C ATOM 142 SG CYS A 11 2.031 2.749 -4.882 1.00 0.00 S ATOM 143 H CYS A 11 4.079 0.111 -3.774 1.00 0.00 H ATOM 144 HA CYS A 11 1.214 0.409 -3.461 1.00 0.00 H ATOM 145 HB3 CYS A 11 1.375 0.720 -6.009 1.00 0.00 H ATOM 146 N THR A 12 2.228 -2.344 -3.712 1.00 0.00 N ATOM 147 CA THR A 12 2.037 -3.756 -3.998 1.00 0.00 C ATOM 148 C THR A 12 2.361 -4.599 -2.761 1.00 0.00 C ATOM 149 O THR A 12 3.229 -4.238 -1.970 1.00 0.00 O ATOM 150 CB THR A 12 2.891 -4.112 -5.216 1.00 0.00 C ATOM 151 OG1 THR A 12 2.162 -5.155 -5.858 1.00 0.00 O ATOM 152 CG2 THR A 12 4.218 -4.768 -4.830 1.00 0.00 C ATOM 153 H THR A 12 2.745 -2.148 -2.878 1.00 0.00 H ATOM 154 HA THR A 12 0.985 -3.920 -4.230 1.00 0.00 H ATOM 155 HB THR A 12 3.057 -3.236 -5.843 1.00 0.00 H ATOM 156 HG1 THR A 12 1.906 -5.854 -5.191 1.00 0.00 H ATOM 157 HG21 THR A 12 4.737 -4.138 -4.106 1.00 0.00 H ATOM 158 HG22 THR A 12 4.025 -5.745 -4.389 1.00 0.00 H ATOM 159 HG23 THR A 12 4.838 -4.885 -5.719 1.00 0.00 H ATOM 160 N THR A 13 1.644 -5.706 -2.636 1.00 0.00 N ATOM 161 CA THR A 13 1.844 -6.603 -1.511 1.00 0.00 C ATOM 162 C THR A 13 1.180 -7.956 -1.782 1.00 0.00 C ATOM 163 O THR A 13 -0.043 -8.070 -1.740 1.00 0.00 O ATOM 164 CB THR A 13 1.316 -5.909 -0.253 1.00 0.00 C ATOM 165 OG1 THR A 13 2.374 -5.037 0.132 1.00 0.00 O ATOM 166 CG2 THR A 13 1.175 -6.869 0.930 1.00 0.00 C ATOM 167 H THR A 13 0.938 -5.993 -3.285 1.00 0.00 H ATOM 168 HA THR A 13 2.913 -6.787 -1.404 1.00 0.00 H ATOM 169 HB THR A 13 0.374 -5.399 -0.456 1.00 0.00 H ATOM 170 HG1 THR A 13 2.166 -4.101 -0.151 1.00 0.00 H ATOM 171 HG21 THR A 13 1.471 -7.871 0.622 1.00 0.00 H ATOM 172 HG22 THR A 13 1.814 -6.535 1.747 1.00 0.00 H ATOM 173 HG23 THR A 13 0.136 -6.885 1.263 1.00 0.00 H ATOM 174 N ALA A 14 2.019 -8.945 -2.054 1.00 0.00 N ATOM 175 CA ALA A 14 1.529 -10.284 -2.333 1.00 0.00 C ATOM 176 C ALA A 14 1.912 -11.212 -1.178 1.00 0.00 C ATOM 177 O ALA A 14 2.080 -10.763 -0.045 1.00 0.00 O ATOM 178 CB ALA A 14 2.085 -10.763 -3.674 1.00 0.00 C ATOM 179 H ALA A 14 3.013 -8.843 -2.086 1.00 0.00 H ATOM 180 HA ALA A 14 0.442 -10.233 -2.402 1.00 0.00 H ATOM 181 HB1 ALA A 14 2.714 -9.984 -4.105 1.00 0.00 H ATOM 182 HB2 ALA A 14 2.679 -11.665 -3.521 1.00 0.00 H ATOM 183 HB3 ALA A 14 1.261 -10.982 -4.353 1.00 0.00 H TER 184 ALA A 14