HETATM 1 C ACE A 1 2.524 12.017 -8.257 1.00 0.00 C HETATM 2 O ACE A 1 3.333 11.576 -9.072 1.00 0.00 O HETATM 3 CH3 ACE A 1 2.658 13.406 -7.735 1.00 0.00 C HETATM 4 H1 ACE A 1 3.638 13.528 -7.274 1.00 0.00 H HETATM 5 H2 ACE A 1 2.551 14.115 -8.557 1.00 0.00 H HETATM 6 H3 ACE A 1 1.882 13.591 -6.992 1.00 0.00 H ATOM 7 N ILE A 2 1.494 11.336 -7.777 1.00 0.00 N ATOM 8 CA ILE A 2 1.240 9.968 -8.199 1.00 0.00 C ATOM 9 C ILE A 2 -0.180 9.569 -7.791 1.00 0.00 C ATOM 10 O ILE A 2 -0.509 9.559 -6.606 1.00 0.00 O ATOM 11 CB ILE A 2 2.322 9.031 -7.658 1.00 0.00 C ATOM 12 CG1 ILE A 2 1.791 7.603 -7.520 1.00 0.00 C ATOM 13 CG2 ILE A 2 2.897 9.559 -6.342 1.00 0.00 C ATOM 14 CD1 ILE A 2 2.870 6.580 -7.878 1.00 0.00 C ATOM 15 H ILE A 2 0.840 11.702 -7.115 1.00 0.00 H ATOM 16 HA ILE A 2 1.307 9.943 -9.287 1.00 0.00 H ATOM 17 HB ILE A 2 3.140 9.002 -8.378 1.00 0.00 H ATOM 18 HG13 ILE A 2 0.927 7.468 -8.169 1.00 0.00 H ATOM 19 HG21 ILE A 2 3.783 10.159 -6.548 1.00 0.00 H ATOM 20 HG22 ILE A 2 2.149 10.175 -5.840 1.00 0.00 H ATOM 21 HG23 ILE A 2 3.166 8.720 -5.701 1.00 0.00 H ATOM 22 HD11 ILE A 2 3.750 6.748 -7.257 1.00 0.00 H ATOM 23 HD12 ILE A 2 2.490 5.574 -7.703 1.00 0.00 H ATOM 24 HD13 ILE A 2 3.141 6.689 -8.928 1.00 0.00 H ATOM 25 N TRP A 3 -0.982 9.250 -8.796 1.00 0.00 N ATOM 26 CA TRP A 3 -2.359 8.850 -8.556 1.00 0.00 C ATOM 27 C TRP A 3 -2.406 7.322 -8.504 1.00 0.00 C ATOM 28 O TRP A 3 -1.458 6.654 -8.916 1.00 0.00 O ATOM 29 CB TRP A 3 -3.293 9.441 -9.614 1.00 0.00 C ATOM 30 CG TRP A 3 -4.007 10.719 -9.170 1.00 0.00 C ATOM 31 CD1 TRP A 3 -5.324 10.963 -9.147 1.00 0.00 C ATOM 32 CD2 TRP A 3 -3.384 11.926 -8.683 1.00 0.00 C ATOM 33 NE1 TRP A 3 -5.595 12.234 -8.684 1.00 0.00 N ATOM 34 CE2 TRP A 3 -4.378 12.838 -8.392 1.00 0.00 C ATOM 35 CE3 TRP A 3 -2.026 12.237 -8.495 1.00 0.00 C ATOM 36 CZ2 TRP A 3 -4.119 14.122 -7.895 1.00 0.00 C ATOM 37 CZ3 TRP A 3 -1.785 13.525 -7.997 1.00 0.00 C ATOM 38 CH2 TRP A 3 -2.774 14.454 -7.699 1.00 0.00 C ATOM 39 H TRP A 3 -0.707 9.261 -9.757 1.00 0.00 H ATOM 40 HA TRP A 3 -2.664 9.265 -7.596 1.00 0.00 H ATOM 41 HB3 TRP A 3 -4.040 8.693 -9.882 1.00 0.00 H ATOM 42 HD1 TRP A 3 -6.086 10.247 -9.457 1.00 0.00 H ATOM 43 HE1 TRP A 3 -6.583 12.681 -8.567 1.00 0.00 H ATOM 44 HE3 TRP A 3 -1.223 11.536 -8.717 1.00 0.00 H ATOM 45 HZ2 TRP A 3 -4.923 14.824 -7.673 1.00 0.00 H ATOM 46 HZ3 TRP A 3 -0.748 13.818 -7.833 1.00 0.00 H ATOM 47 HH2 TRP A 3 -2.503 15.438 -7.315 1.00 0.00 H ATOM 48 N GLY A 4 -3.516 6.813 -7.993 1.00 0.00 N ATOM 49 CA GLY A 4 -3.699 5.376 -7.881 1.00 0.00 C ATOM 50 C GLY A 4 -3.487 4.907 -6.439 1.00 0.00 C ATOM 51 O GLY A 4 -4.434 4.491 -5.773 1.00 0.00 O ATOM 52 H GLY A 4 -4.282 7.363 -7.658 1.00 0.00 H ATOM 53 HA2 GLY A 4 -4.702 5.106 -8.210 1.00 0.00 H ATOM 54 HA3 GLY A 4 -2.997 4.864 -8.541 1.00 0.00 H ATOM 55 N CYS A 5 -2.240 4.988 -6.002 1.00 0.00 N ATOM 56 CA CYS A 5 -1.891 4.578 -4.652 1.00 0.00 C ATOM 57 C CYS A 5 -2.419 5.632 -3.678 1.00 0.00 C ATOM 58 O CYS A 5 -2.564 6.810 -4.004 1.00 0.00 O ATOM 59 CB CYS A 5 -0.385 4.359 -4.498 1.00 0.00 C ATOM 60 SG CYS A 5 0.126 2.609 -4.342 1.00 0.00 S ATOM 61 H CYS A 5 -1.475 5.327 -6.551 1.00 0.00 H ATOM 62 HA CYS A 5 -2.377 3.617 -4.482 1.00 0.00 H ATOM 63 HB3 CYS A 5 -0.042 4.903 -3.618 1.00 0.00 H HETATM 64 N B3S A 6 -2.706 5.177 -2.454 1.00 0.00 N HETATM 65 OD B3S A 6 -2.941 5.398 1.069 1.00 0.00 O HETATM 66 CG B3S A 6 -3.661 5.256 -0.159 1.00 0.00 C HETATM 67 CB B3S A 6 -3.036 6.071 -1.316 1.00 0.00 C HETATM 68 CA B3S A 6 -1.763 6.820 -0.847 1.00 0.00 C HETATM 69 C B3S A 6 -0.711 5.966 -0.132 1.00 0.00 C HETATM 70 O B3S A 6 -0.222 6.393 0.914 1.00 0.00 O HETATM 71 H B3S A 6 -2.532 4.175 -2.338 1.00 0.00 H HETATM 72 HD B3S A 6 -3.266 4.702 1.650 1.00 0.00 H HETATM 73 HG2 B3S A 6 -3.706 4.184 -0.438 1.00 0.00 H HETATM 74 HB B3S A 6 -3.786 6.828 -1.632 1.00 0.00 H HETATM 75 HA1 B3S A 6 -1.289 7.328 -1.707 1.00 0.00 H HETATM 76 HA2 B3S A 6 -2.045 7.649 -0.172 1.00 0.00 H ATOM 77 N GLY A 7 -0.383 4.816 -0.699 1.00 0.00 N ATOM 78 CA GLY A 7 0.616 3.945 -0.103 1.00 0.00 C ATOM 79 C GLY A 7 2.023 4.325 -0.571 1.00 0.00 C ATOM 80 O GLY A 7 2.645 3.592 -1.338 1.00 0.00 O ATOM 81 H GLY A 7 -0.786 4.476 -1.550 1.00 0.00 H ATOM 82 HA2 GLY A 7 0.560 4.012 0.983 1.00 0.00 H ATOM 83 HA3 GLY A 7 0.407 2.909 -0.370 1.00 0.00 H ATOM 84 N LYS A 8 2.483 5.471 -0.088 1.00 0.00 N ATOM 85 CA LYS A 8 3.805 5.955 -0.447 1.00 0.00 C ATOM 86 C LYS A 8 4.863 5.143 0.302 1.00 0.00 C ATOM 87 O LYS A 8 5.662 5.701 1.052 1.00 0.00 O ATOM 88 CB LYS A 8 3.904 7.464 -0.208 1.00 0.00 C ATOM 89 CG LYS A 8 3.751 8.238 -1.518 1.00 0.00 C ATOM 90 CD LYS A 8 2.293 8.643 -1.749 1.00 0.00 C ATOM 91 CE LYS A 8 2.138 9.405 -3.066 1.00 0.00 C ATOM 92 NZ LYS A 8 2.057 10.862 -2.815 1.00 0.00 N ATOM 93 H LYS A 8 1.971 6.060 0.535 1.00 0.00 H ATOM 94 HA LYS A 8 3.935 5.789 -1.517 1.00 0.00 H ATOM 95 HB3 LYS A 8 4.865 7.701 0.248 1.00 0.00 H ATOM 96 HG3 LYS A 8 4.098 7.624 -2.350 1.00 0.00 H ATOM 97 HD3 LYS A 8 1.950 9.264 -0.923 1.00 0.00 H ATOM 98 HE3 LYS A 8 1.240 9.069 -3.584 1.00 0.00 H ATOM 99 HZ1 LYS A 8 1.549 11.345 -3.548 1.00 0.00 H ATOM 100 HZ2 LYS A 8 1.585 11.072 -1.943 1.00 0.00 H ATOM 101 N LEU A 9 4.833 3.839 0.072 1.00 0.00 N ATOM 102 CA LEU A 9 5.780 2.943 0.716 1.00 0.00 C ATOM 103 C LEU A 9 5.758 1.589 0.005 1.00 0.00 C ATOM 104 O LEU A 9 6.807 0.997 -0.243 1.00 0.00 O ATOM 105 CB LEU A 9 5.498 2.855 2.217 1.00 0.00 C ATOM 106 CG LEU A 9 6.687 3.132 3.140 1.00 0.00 C ATOM 107 CD1 LEU A 9 7.909 2.314 2.720 1.00 0.00 C ATOM 108 CD2 LEU A 9 6.993 4.629 3.205 1.00 0.00 C ATOM 109 H LEU A 9 4.180 3.394 -0.539 1.00 0.00 H ATOM 110 HA LEU A 9 6.772 3.380 0.599 1.00 0.00 H ATOM 111 HB3 LEU A 9 5.117 1.858 2.437 1.00 0.00 H ATOM 112 HG LEU A 9 6.418 2.814 4.148 1.00 0.00 H ATOM 113 HD11 LEU A 9 7.606 1.287 2.512 1.00 0.00 H ATOM 114 HD12 LEU A 9 8.348 2.752 1.823 1.00 0.00 H ATOM 115 HD13 LEU A 9 8.645 2.320 3.525 1.00 0.00 H ATOM 116 HD21 LEU A 9 7.585 4.917 2.336 1.00 0.00 H ATOM 117 HD22 LEU A 9 6.060 5.192 3.212 1.00 0.00 H ATOM 118 HD23 LEU A 9 7.555 4.846 4.114 1.00 0.00 H ATOM 119 N ILE A 10 4.551 1.137 -0.302 1.00 0.00 N ATOM 120 CA ILE A 10 4.379 -0.138 -0.979 1.00 0.00 C ATOM 121 C ILE A 10 3.118 -0.085 -1.844 1.00 0.00 C ATOM 122 O ILE A 10 2.004 -0.137 -1.327 1.00 0.00 O ATOM 123 CB ILE A 10 4.383 -1.286 0.032 1.00 0.00 C ATOM 124 CG1 ILE A 10 5.812 -1.651 0.442 1.00 0.00 C ATOM 125 CG2 ILE A 10 3.615 -2.494 -0.507 1.00 0.00 C ATOM 126 CD1 ILE A 10 6.655 -2.019 -0.781 1.00 0.00 C ATOM 127 H ILE A 10 3.703 1.624 -0.096 1.00 0.00 H ATOM 128 HA ILE A 10 5.240 -0.280 -1.632 1.00 0.00 H ATOM 129 HB ILE A 10 3.866 -0.951 0.932 1.00 0.00 H ATOM 130 HG13 ILE A 10 5.791 -2.488 1.139 1.00 0.00 H ATOM 131 HG21 ILE A 10 3.967 -2.729 -1.512 1.00 0.00 H ATOM 132 HG22 ILE A 10 3.780 -3.351 0.146 1.00 0.00 H ATOM 133 HG23 ILE A 10 2.551 -2.262 -0.542 1.00 0.00 H ATOM 134 HD11 ILE A 10 7.323 -2.843 -0.527 1.00 0.00 H ATOM 135 HD12 ILE A 10 5.999 -2.320 -1.597 1.00 0.00 H ATOM 136 HD13 ILE A 10 7.245 -1.154 -1.089 1.00 0.00 H ATOM 137 N CYS A 11 3.337 0.020 -3.147 1.00 0.00 N ATOM 138 CA CYS A 11 2.233 0.081 -4.089 1.00 0.00 C ATOM 139 C CYS A 11 1.949 -1.337 -4.590 1.00 0.00 C ATOM 140 O CYS A 11 1.462 -1.519 -5.704 1.00 0.00 O ATOM 141 CB CYS A 11 2.523 1.046 -5.239 1.00 0.00 C ATOM 142 SG CYS A 11 2.147 2.801 -4.883 1.00 0.00 S ATOM 143 H CYS A 11 4.247 0.062 -3.559 1.00 0.00 H ATOM 144 HA CYS A 11 1.376 0.476 -3.542 1.00 0.00 H ATOM 145 HB3 CYS A 11 1.946 0.735 -6.110 1.00 0.00 H ATOM 146 N THR A 12 2.267 -2.304 -3.742 1.00 0.00 N ATOM 147 CA THR A 12 2.054 -3.700 -4.085 1.00 0.00 C ATOM 148 C THR A 12 2.114 -4.573 -2.830 1.00 0.00 C ATOM 149 O THR A 12 3.153 -4.659 -2.178 1.00 0.00 O ATOM 150 CB THR A 12 3.085 -4.090 -5.146 1.00 0.00 C ATOM 151 OG1 THR A 12 2.421 -5.076 -5.930 1.00 0.00 O ATOM 152 CG2 THR A 12 4.285 -4.831 -4.552 1.00 0.00 C ATOM 153 H THR A 12 2.664 -2.147 -2.837 1.00 0.00 H ATOM 154 HA THR A 12 1.050 -3.803 -4.498 1.00 0.00 H ATOM 155 HB THR A 12 3.409 -3.217 -5.712 1.00 0.00 H ATOM 156 HG1 THR A 12 2.176 -5.859 -5.359 1.00 0.00 H ATOM 157 HG21 THR A 12 5.054 -4.947 -5.315 1.00 0.00 H ATOM 158 HG22 THR A 12 4.686 -4.261 -3.714 1.00 0.00 H ATOM 159 HG23 THR A 12 3.967 -5.814 -4.203 1.00 0.00 H ATOM 160 N THR A 13 0.985 -5.198 -2.529 1.00 0.00 N ATOM 161 CA THR A 13 0.897 -6.061 -1.363 1.00 0.00 C ATOM 162 C THR A 13 -0.358 -6.934 -1.440 1.00 0.00 C ATOM 163 O THR A 13 -1.460 -6.471 -1.147 1.00 0.00 O ATOM 164 CB THR A 13 0.946 -5.177 -0.115 1.00 0.00 C ATOM 165 OG1 THR A 13 2.339 -5.007 0.135 1.00 0.00 O ATOM 166 CG2 THR A 13 0.428 -5.896 1.133 1.00 0.00 C ATOM 167 H THR A 13 0.144 -5.122 -3.064 1.00 0.00 H ATOM 168 HA THR A 13 1.755 -6.733 -1.367 1.00 0.00 H ATOM 169 HB THR A 13 0.408 -4.244 -0.278 1.00 0.00 H ATOM 170 HG1 THR A 13 2.801 -5.893 0.110 1.00 0.00 H ATOM 171 HG21 THR A 13 -0.634 -6.111 1.013 1.00 0.00 H ATOM 172 HG22 THR A 13 0.975 -6.828 1.268 1.00 0.00 H ATOM 173 HG23 THR A 13 0.574 -5.260 2.005 1.00 0.00 H ATOM 174 N ALA A 14 -0.149 -8.181 -1.835 1.00 0.00 N ATOM 175 CA ALA A 14 -1.249 -9.123 -1.955 1.00 0.00 C ATOM 176 C ALA A 14 -0.900 -10.406 -1.199 1.00 0.00 C ATOM 177 O ALA A 14 -1.777 -11.049 -0.624 1.00 0.00 O ATOM 178 CB ALA A 14 -1.544 -9.379 -3.434 1.00 0.00 C ATOM 179 H ALA A 14 0.750 -8.550 -2.072 1.00 0.00 H ATOM 180 HA ALA A 14 -2.127 -8.668 -1.496 1.00 0.00 H ATOM 181 HB1 ALA A 14 -1.443 -8.448 -3.991 1.00 0.00 H ATOM 182 HB2 ALA A 14 -0.837 -10.113 -3.824 1.00 0.00 H ATOM 183 HB3 ALA A 14 -2.559 -9.760 -3.541 1.00 0.00 H TER 184 ALA A 14