HETATM 1 C ACE A 0 -3.269 -2.772 6.874 1.00 0.00 C HETATM 2 O ACE A 0 -3.755 -3.200 5.806 1.00 0.00 O HETATM 3 CH3 ACE A 0 -3.084 -3.730 8.036 1.00 0.00 C HETATM 4 H1 ACE A 0 -2.095 -3.607 8.453 1.00 0.00 H HETATM 5 H2 ACE A 0 -3.205 -4.743 7.689 1.00 0.00 H HETATM 6 H3 ACE A 0 -3.824 -3.521 8.797 1.00 0.00 H ATOM 7 N HIS A 1 -2.885 -1.466 7.106 1.00 0.00 N ATOM 8 CA HIS A 1 -2.995 -0.382 6.119 1.00 0.00 C ATOM 9 C HIS A 1 -1.726 -0.280 5.287 1.00 0.00 C ATOM 10 O HIS A 1 -1.759 0.298 4.191 1.00 0.00 O ATOM 11 CB HIS A 1 -3.274 0.955 6.820 1.00 0.00 C ATOM 12 CG HIS A 1 -3.939 1.974 5.948 1.00 0.00 C ATOM 13 ND1 HIS A 1 -5.273 1.917 5.587 1.00 0.00 N ATOM 14 CD2 HIS A 1 -3.439 3.080 5.358 1.00 0.00 C ATOM 15 CE1 HIS A 1 -5.557 2.954 4.815 1.00 0.00 C ATOM 16 NE2 HIS A 1 -4.462 3.670 4.662 1.00 0.00 N ATOM 17 H HIS A 1 -2.524 -1.243 7.989 1.00 0.00 H ATOM 18 HA HIS A 1 -3.809 -0.614 5.463 1.00 0.00 H ATOM 19 HB2 HIS A 1 -3.918 0.777 7.660 1.00 0.00 H ATOM 20 HB3 HIS A 1 -2.342 1.375 7.166 1.00 0.00 H ATOM 21 HD1 HIS A 1 -5.908 1.220 5.842 1.00 0.00 H ATOM 22 HD2 HIS A 1 -2.424 3.432 5.424 1.00 0.00 H ATOM 23 HE1 HIS A 1 -6.525 3.196 4.406 1.00 0.00 H ATOM 24 HE2 HIS A 1 -4.393 4.486 4.126 1.00 0.00 H HETATM 25 C MK8 A 2 0.607 -1.419 3.696 1.00 0.00 C HETATM 26 N MK8 A 2 -0.584 -0.853 5.828 1.00 0.00 N HETATM 27 O MK8 A 2 0.911 -0.747 2.695 1.00 0.00 O HETATM 28 CA MK8 A 2 0.763 -0.861 5.179 1.00 0.00 C HETATM 29 CB MK8 A 2 1.662 -1.826 6.056 1.00 0.00 C HETATM 30 CD MK8 A 2 3.192 -3.760 5.393 1.00 0.00 C HETATM 31 CE MK8 A 2 2.802 -4.475 4.064 1.00 0.00 C HETATM 32 CG MK8 A 2 3.066 -2.256 5.535 1.00 0.00 C HETATM 33 CB1 MK8 A 2 1.350 0.592 5.274 1.00 0.00 C HETATM 34 HN MK8 A 2 -0.652 -1.288 6.706 1.00 0.00 H HETATM 35 HB MK8 A 2 1.090 -2.727 6.248 1.00 0.00 H HETATM 36 HBA MK8 A 2 1.832 -1.340 6.999 1.00 0.00 H HETATM 37 HD MK8 A 2 2.594 -4.190 6.180 1.00 0.00 H HETATM 38 HDA MK8 A 2 4.206 -4.015 5.585 1.00 0.00 H HETATM 39 HE MK8 A 2 2.148 -5.324 4.171 1.00 0.00 H HETATM 40 HG MK8 A 2 3.801 -1.912 6.230 1.00 0.00 H HETATM 41 HGA MK8 A 2 3.238 -1.789 4.581 1.00 0.00 H HETATM 42 HB1 MK8 A 2 1.113 1.142 4.373 1.00 0.00 H HETATM 43 HB1A MK8 A 2 2.423 0.545 5.394 1.00 0.00 H HETATM 44 HB1B MK8 A 2 0.919 1.091 6.131 1.00 0.00 H ATOM 45 N ILE A 3 0.113 -2.707 3.636 1.00 0.00 N ATOM 46 CA ILE A 3 -0.112 -3.490 2.381 1.00 0.00 C ATOM 47 C ILE A 3 -0.868 -2.683 1.336 1.00 0.00 C ATOM 48 O ILE A 3 -0.601 -2.824 0.126 1.00 0.00 O ATOM 49 CB ILE A 3 -0.867 -4.877 2.545 1.00 0.00 C ATOM 50 CG1 ILE A 3 -1.315 -5.303 4.004 1.00 0.00 C ATOM 51 CG2 ILE A 3 -0.058 -5.986 1.856 1.00 0.00 C ATOM 52 CD1 ILE A 3 -0.268 -5.373 5.134 1.00 0.00 C ATOM 53 H ILE A 3 -0.091 -3.141 4.486 1.00 0.00 H ATOM 54 HA ILE A 3 0.860 -3.706 1.983 1.00 0.00 H ATOM 55 HB ILE A 3 -1.775 -4.769 1.953 1.00 0.00 H ATOM 56 HG12 ILE A 3 -2.070 -4.611 4.336 1.00 0.00 H ATOM 57 HG13 ILE A 3 -1.760 -6.277 3.923 1.00 0.00 H ATOM 58 HG21 ILE A 3 -0.387 -6.096 0.834 1.00 0.00 H ATOM 59 HG22 ILE A 3 -0.202 -6.918 2.384 1.00 0.00 H ATOM 60 HG23 ILE A 3 0.990 -5.727 1.866 1.00 0.00 H ATOM 61 HD11 ILE A 3 -0.776 -5.349 6.089 1.00 0.00 H ATOM 62 HD12 ILE A 3 0.398 -4.524 5.058 1.00 0.00 H ATOM 63 HD13 ILE A 3 0.301 -6.288 5.044 1.00 0.00 H ATOM 64 N LEU A 4 -1.814 -1.827 1.846 1.00 0.00 N ATOM 65 CA LEU A 4 -2.664 -0.944 1.033 1.00 0.00 C ATOM 66 C LEU A 4 -1.782 0.033 0.257 1.00 0.00 C ATOM 67 O LEU A 4 -1.867 0.090 -0.981 1.00 0.00 O ATOM 68 CB LEU A 4 -3.647 -0.189 1.948 1.00 0.00 C ATOM 69 CG LEU A 4 -4.765 0.624 1.267 1.00 0.00 C ATOM 70 CD1 LEU A 4 -5.938 0.788 2.227 1.00 0.00 C ATOM 71 CD2 LEU A 4 -4.258 2.003 0.846 1.00 0.00 C ATOM 72 H LEU A 4 -1.929 -1.804 2.821 1.00 0.00 H ATOM 73 HA LEU A 4 -3.222 -1.560 0.341 1.00 0.00 H ATOM 74 HB2 LEU A 4 -4.111 -0.914 2.593 1.00 0.00 H ATOM 75 HB3 LEU A 4 -3.071 0.495 2.567 1.00 0.00 H ATOM 76 HG LEU A 4 -5.111 0.099 0.389 1.00 0.00 H ATOM 77 HD11 LEU A 4 -6.565 1.600 1.897 1.00 0.00 H ATOM 78 HD12 LEU A 4 -5.560 1.003 3.217 1.00 0.00 H ATOM 79 HD13 LEU A 4 -6.517 -0.127 2.256 1.00 0.00 H ATOM 80 HD21 LEU A 4 -3.918 2.535 1.720 1.00 0.00 H ATOM 81 HD22 LEU A 4 -5.056 2.552 0.378 1.00 0.00 H ATOM 82 HD23 LEU A 4 -3.440 1.890 0.148 1.00 0.00 H ATOM 83 N HIS A 5 -0.935 0.792 1.040 1.00 0.00 N ATOM 84 CA HIS A 5 -0.004 1.793 0.530 1.00 0.00 C ATOM 85 C HIS A 5 1.059 1.195 -0.396 1.00 0.00 C ATOM 86 O HIS A 5 1.238 1.692 -1.516 1.00 0.00 O ATOM 87 CB HIS A 5 0.663 2.510 1.697 1.00 0.00 C ATOM 88 CG HIS A 5 0.073 3.846 1.981 1.00 0.00 C ATOM 89 ND1 HIS A 5 0.262 4.943 1.168 1.00 0.00 N ATOM 90 CD2 HIS A 5 -0.720 4.260 2.999 1.00 0.00 C ATOM 91 CE1 HIS A 5 -0.389 5.970 1.665 1.00 0.00 C ATOM 92 NE2 HIS A 5 -0.992 5.582 2.782 1.00 0.00 N ATOM 93 H HIS A 5 -0.958 0.652 2.011 1.00 0.00 H ATOM 94 HA HIS A 5 -0.590 2.515 -0.029 1.00 0.00 H ATOM 95 HB2 HIS A 5 0.558 1.910 2.586 1.00 0.00 H ATOM 96 HB3 HIS A 5 1.710 2.646 1.478 1.00 0.00 H ATOM 97 HD1 HIS A 5 0.813 4.966 0.356 1.00 0.00 H ATOM 98 HD2 HIS A 5 -1.082 3.655 3.817 1.00 0.00 H ATOM 99 HE1 HIS A 5 -0.463 6.943 1.216 1.00 0.00 H ATOM 100 HE2 HIS A 5 -1.549 6.152 3.357 1.00 0.00 H HETATM 101 C MK8 A 6 2.344 -1.054 -2.038 1.00 0.00 C HETATM 102 N MK8 A 6 1.787 0.123 0.101 1.00 0.00 N HETATM 103 O MK8 A 6 3.144 -1.425 -2.933 1.00 0.00 O HETATM 104 CA MK8 A 6 2.886 -0.584 -0.642 1.00 0.00 C HETATM 105 CB MK8 A 6 3.357 -1.866 0.131 1.00 0.00 C HETATM 106 CD MK8 A 6 4.124 -3.008 2.295 1.00 0.00 C HETATM 107 CE MK8 A 6 3.192 -4.167 2.766 1.00 0.00 C HETATM 108 CG MK8 A 6 3.514 -1.760 1.676 1.00 0.00 C HETATM 109 CB1 MK8 A 6 4.117 0.374 -0.818 1.00 0.00 C HETATM 110 HN MK8 A 6 1.584 -0.187 0.998 1.00 0.00 H HETATM 111 HB MK8 A 6 4.315 -2.163 -0.272 1.00 0.00 H HETATM 112 HBA MK8 A 6 2.648 -2.652 -0.073 1.00 0.00 H HETATM 113 HD MK8 A 6 4.717 -2.688 3.142 1.00 0.00 H HETATM 114 HDA MK8 A 6 4.788 -3.425 1.567 1.00 0.00 H HETATM 115 HE MK8 A 6 2.802 -4.811 1.991 1.00 0.00 H HETATM 116 HG MK8 A 6 2.542 -1.594 2.115 1.00 0.00 H HETATM 117 HGA MK8 A 6 4.157 -0.923 1.895 1.00 0.00 H HETATM 118 HB1 MK8 A 6 4.768 0.274 0.042 1.00 0.00 H HETATM 119 HB1A MK8 A 6 3.776 1.400 -0.892 1.00 0.00 H HETATM 120 HB1B MK8 A 6 4.654 0.110 -1.709 1.00 0.00 H ATOM 121 N LEU A 7 0.964 -1.040 -2.180 1.00 0.00 N ATOM 122 CA LEU A 7 0.245 -1.446 -3.407 1.00 0.00 C ATOM 123 C LEU A 7 0.100 -0.262 -4.385 1.00 0.00 C ATOM 124 O LEU A 7 0.256 -0.453 -5.605 1.00 0.00 O ATOM 125 CB LEU A 7 -1.150 -2.015 -3.043 1.00 0.00 C ATOM 126 CG LEU A 7 -1.897 -2.773 -4.159 1.00 0.00 C ATOM 127 CD1 LEU A 7 -1.439 -4.229 -4.251 1.00 0.00 C ATOM 128 CD2 LEU A 7 -3.403 -2.697 -3.930 1.00 0.00 C ATOM 129 H LEU A 7 0.431 -0.745 -1.411 1.00 0.00 H ATOM 130 HA LEU A 7 0.825 -2.227 -3.881 1.00 0.00 H ATOM 131 HB2 LEU A 7 -1.028 -2.688 -2.210 1.00 0.00 H ATOM 132 HB3 LEU A 7 -1.782 -1.196 -2.719 1.00 0.00 H ATOM 133 HG LEU A 7 -1.683 -2.295 -5.100 1.00 0.00 H ATOM 134 HD11 LEU A 7 -0.673 -4.324 -5.013 1.00 0.00 H ATOM 135 HD12 LEU A 7 -2.279 -4.850 -4.503 1.00 0.00 H ATOM 136 HD13 LEU A 7 -1.039 -4.533 -3.297 1.00 0.00 H ATOM 137 HD21 LEU A 7 -3.608 -2.023 -3.111 1.00 0.00 H ATOM 138 HD22 LEU A 7 -3.777 -3.679 -3.687 1.00 0.00 H ATOM 139 HD23 LEU A 7 -3.892 -2.339 -4.826 1.00 0.00 H ATOM 140 N LEU A 8 -0.218 0.948 -3.815 1.00 0.00 N ATOM 141 CA LEU A 8 -0.427 2.209 -4.564 1.00 0.00 C ATOM 142 C LEU A 8 0.891 2.846 -5.009 1.00 0.00 C ATOM 143 O LEU A 8 0.959 3.426 -6.109 1.00 0.00 O ATOM 144 CB LEU A 8 -1.200 3.207 -3.653 1.00 0.00 C ATOM 145 CG LEU A 8 -2.770 3.116 -3.488 1.00 0.00 C ATOM 146 CD1 LEU A 8 -3.513 3.497 -4.755 1.00 0.00 C ATOM 147 CD2 LEU A 8 -3.310 1.772 -2.950 1.00 0.00 C ATOM 148 H LEU A 8 -0.338 0.976 -2.838 1.00 0.00 H ATOM 149 HA LEU A 8 -1.026 1.990 -5.432 1.00 0.00 H ATOM 150 HB2 LEU A 8 -0.773 3.132 -2.666 1.00 0.00 H ATOM 151 HB3 LEU A 8 -0.978 4.202 -4.020 1.00 0.00 H ATOM 152 HG LEU A 8 -3.038 3.856 -2.758 1.00 0.00 H ATOM 153 HD11 LEU A 8 -2.884 3.301 -5.608 1.00 0.00 H ATOM 154 HD12 LEU A 8 -3.752 4.545 -4.720 1.00 0.00 H ATOM 155 HD13 LEU A 8 -4.425 2.920 -4.835 1.00 0.00 H ATOM 156 HD21 LEU A 8 -2.876 0.962 -3.516 1.00 0.00 H ATOM 157 HD22 LEU A 8 -4.388 1.737 -3.047 1.00 0.00 H ATOM 158 HD23 LEU A 8 -3.043 1.675 -1.912 1.00 0.00 H ATOM 159 N GLN A 9 1.919 2.740 -4.113 1.00 0.00 N ATOM 160 CA GLN A 9 3.282 3.303 -4.315 1.00 0.00 C ATOM 161 C GLN A 9 4.086 2.475 -5.329 1.00 0.00 C ATOM 162 O GLN A 9 4.889 3.049 -6.101 1.00 0.00 O ATOM 163 CB GLN A 9 4.034 3.370 -2.973 1.00 0.00 C ATOM 164 CG GLN A 9 3.336 4.197 -1.899 1.00 0.00 C ATOM 165 CD GLN A 9 4.118 4.255 -0.598 1.00 0.00 C ATOM 166 OE1 GLN A 9 4.427 3.222 0.003 1.00 0.00 O ATOM 167 NE2 GLN A 9 4.433 5.476 -0.155 1.00 0.00 N ATOM 168 H GLN A 9 1.732 2.272 -3.279 1.00 0.00 H ATOM 169 HA GLN A 9 3.172 4.305 -4.709 1.00 0.00 H ATOM 170 HB2 GLN A 9 4.153 2.363 -2.594 1.00 0.00 H ATOM 171 HB3 GLN A 9 5.007 3.795 -3.143 1.00 0.00 H ATOM 172 HG2 GLN A 9 3.207 5.206 -2.263 1.00 0.00 H ATOM 173 HG3 GLN A 9 2.365 3.763 -1.702 1.00 0.00 H ATOM 174 HE21 GLN A 9 4.139 6.248 -0.683 1.00 0.00 H ATOM 175 HE22 GLN A 9 4.950 5.553 0.675 1.00 0.00 H ATOM 176 N ASP A 10 3.835 1.122 -5.303 1.00 0.00 N ATOM 177 CA ASP A 10 4.485 0.140 -6.197 1.00 0.00 C ATOM 178 C ASP A 10 3.991 0.330 -7.621 1.00 0.00 C ATOM 179 O ASP A 10 4.809 0.325 -8.555 1.00 0.00 O ATOM 180 CB ASP A 10 4.196 -1.283 -5.721 1.00 0.00 C ATOM 181 CG ASP A 10 4.985 -2.341 -6.477 1.00 0.00 C ATOM 182 OD1 ASP A 10 4.784 -2.448 -7.697 1.00 0.00 O ATOM 183 OD2 ASP A 10 5.796 -3.058 -5.852 1.00 0.00 O ATOM 184 H ASP A 10 3.181 0.786 -4.652 1.00 0.00 H ATOM 185 HA ASP A 10 5.547 0.314 -6.170 1.00 0.00 H ATOM 186 HB2 ASP A 10 4.446 -1.359 -4.675 1.00 0.00 H ATOM 187 HB3 ASP A 10 3.142 -1.483 -5.851 1.00 0.00 H ATOM 188 N SER A 11 2.630 0.501 -7.747 1.00 0.00 N ATOM 189 CA SER A 11 1.936 0.707 -9.021 1.00 0.00 C ATOM 190 C SER A 11 2.424 1.975 -9.691 1.00 0.00 C ATOM 191 O SER A 11 2.821 1.969 -10.858 1.00 0.00 O ATOM 192 CB SER A 11 0.427 0.789 -8.803 1.00 0.00 C ATOM 193 OG SER A 11 0.087 1.839 -7.929 1.00 0.00 O ATOM 194 H SER A 11 2.094 0.490 -6.934 1.00 0.00 H ATOM 195 HA SER A 11 2.154 -0.134 -9.658 1.00 0.00 H ATOM 196 HB2 SER A 11 -0.051 0.961 -9.746 1.00 0.00 H ATOM 197 HB3 SER A 11 0.076 -0.128 -8.395 1.00 0.00 H ATOM 198 HG SER A 11 -0.802 1.701 -7.588 1.00 0.00 H HETATM 199 N NH2 A 12 2.399 3.064 -8.937 1.00 0.00 N HETATM 200 HN1 NH2 A 12 2.080 2.992 -8.031 1.00 0.00 H HETATM 201 HN2 NH2 A 12 2.681 3.890 -9.318 1.00 0.00 H TER 202 NH2 A 12