HETATM 1 C ACE A 0 -3.290 -2.872 7.516 1.00 0.00 C HETATM 2 O ACE A 0 -3.905 -3.617 6.728 1.00 0.00 O HETATM 3 CH3 ACE A 0 -2.947 -3.388 8.894 1.00 0.00 C HETATM 4 H1 ACE A 0 -2.742 -4.443 8.840 1.00 0.00 H HETATM 5 H2 ACE A 0 -3.782 -3.215 9.560 1.00 0.00 H HETATM 6 H3 ACE A 0 -2.075 -2.867 9.260 1.00 0.00 H ATOM 7 N HIS A 1 -2.895 -1.579 7.246 1.00 0.00 N ATOM 8 CA HIS A 1 -3.138 -0.885 5.966 1.00 0.00 C ATOM 9 C HIS A 1 -1.843 -0.675 5.165 1.00 0.00 C ATOM 10 O HIS A 1 -1.906 -0.187 4.034 1.00 0.00 O ATOM 11 CB HIS A 1 -3.881 0.453 6.203 1.00 0.00 C ATOM 12 CG HIS A 1 -3.216 1.430 7.139 1.00 0.00 C ATOM 13 ND1 HIS A 1 -3.122 1.237 8.501 1.00 0.00 N ATOM 14 CD2 HIS A 1 -2.611 2.607 6.884 1.00 0.00 C ATOM 15 CE1 HIS A 1 -2.489 2.260 9.042 1.00 0.00 C ATOM 16 NE2 HIS A 1 -2.167 3.106 8.083 1.00 0.00 N ATOM 17 H HIS A 1 -2.432 -1.086 7.947 1.00 0.00 H ATOM 18 HA HIS A 1 -3.781 -1.519 5.381 1.00 0.00 H ATOM 19 HB2 HIS A 1 -3.998 0.947 5.257 1.00 0.00 H ATOM 20 HB3 HIS A 1 -4.855 0.231 6.606 1.00 0.00 H ATOM 21 HD1 HIS A 1 -3.464 0.462 8.997 1.00 0.00 H ATOM 22 HD2 HIS A 1 -2.492 3.065 5.911 1.00 0.00 H ATOM 23 HE1 HIS A 1 -2.257 2.372 10.087 1.00 0.00 H ATOM 24 HE2 HIS A 1 -1.653 3.935 8.205 1.00 0.00 H HETATM 25 C MK8 A 2 0.699 -1.442 3.669 1.00 0.00 C HETATM 26 N MK8 A 2 -0.646 -1.033 5.787 1.00 0.00 N HETATM 27 O MK8 A 2 1.386 -0.947 2.742 1.00 0.00 O HETATM 28 CA MK8 A 2 0.722 -0.873 5.165 1.00 0.00 C HETATM 29 CB MK8 A 2 1.804 -1.571 6.092 1.00 0.00 C HETATM 30 CD MK8 A 2 2.920 -3.442 4.827 1.00 0.00 C HETATM 31 CE MK8 A 2 2.549 -4.637 3.897 1.00 0.00 C HETATM 32 CG MK8 A 2 2.030 -3.104 6.021 1.00 0.00 C HETATM 33 CB1 MK8 A 2 1.085 0.632 5.198 1.00 0.00 C HETATM 34 HN MK8 A 2 -0.699 -1.396 6.695 1.00 0.00 H HETATM 35 HB MK8 A 2 1.564 -1.326 7.121 1.00 0.00 H HETATM 36 HBA MK8 A 2 2.750 -1.121 5.863 1.00 0.00 H HETATM 37 HD MK8 A 2 3.917 -3.617 5.207 1.00 0.00 H HETATM 38 HDA MK8 A 2 2.948 -2.566 4.208 1.00 0.00 H HETATM 39 HE MK8 A 2 2.056 -5.462 4.371 1.00 0.00 H HETATM 40 HG MK8 A 2 1.085 -3.594 5.910 1.00 0.00 H HETATM 41 HGA MK8 A 2 2.511 -3.430 6.926 1.00 0.00 H HETATM 42 HB1 MK8 A 2 0.257 1.213 4.811 1.00 0.00 H HETATM 43 HB1A MK8 A 2 1.963 0.806 4.595 1.00 0.00 H HETATM 44 HB1B MK8 A 2 1.296 0.929 6.215 1.00 0.00 H ATOM 45 N ILE A 3 -0.107 -2.547 3.536 1.00 0.00 N ATOM 46 CA ILE A 3 -0.298 -3.318 2.277 1.00 0.00 C ATOM 47 C ILE A 3 -0.941 -2.412 1.231 1.00 0.00 C ATOM 48 O ILE A 3 -0.504 -2.391 0.068 1.00 0.00 O ATOM 49 CB ILE A 3 -1.216 -4.609 2.425 1.00 0.00 C ATOM 50 CG1 ILE A 3 -1.077 -5.363 3.776 1.00 0.00 C ATOM 51 CG2 ILE A 3 -0.919 -5.603 1.300 1.00 0.00 C ATOM 52 CD1 ILE A 3 -1.810 -4.714 4.930 1.00 0.00 C ATOM 53 H ILE A 3 -0.567 -2.861 4.334 1.00 0.00 H ATOM 54 HA ILE A 3 0.675 -3.625 1.914 1.00 0.00 H ATOM 55 HB ILE A 3 -2.238 -4.288 2.312 1.00 0.00 H ATOM 56 HG12 ILE A 3 -1.480 -6.353 3.660 1.00 0.00 H ATOM 57 HG13 ILE A 3 -0.042 -5.432 4.033 1.00 0.00 H ATOM 58 HG21 ILE A 3 -1.020 -5.095 0.354 1.00 0.00 H ATOM 59 HG22 ILE A 3 -1.621 -6.424 1.347 1.00 0.00 H ATOM 60 HG23 ILE A 3 0.091 -5.979 1.402 1.00 0.00 H ATOM 61 HD11 ILE A 3 -2.754 -5.217 5.082 1.00 0.00 H ATOM 62 HD12 ILE A 3 -1.987 -3.672 4.698 1.00 0.00 H ATOM 63 HD13 ILE A 3 -1.215 -4.788 5.821 1.00 0.00 H ATOM 64 N LEU A 4 -2.009 -1.679 1.696 1.00 0.00 N ATOM 65 CA LEU A 4 -2.805 -0.736 0.878 1.00 0.00 C ATOM 66 C LEU A 4 -1.888 0.283 0.188 1.00 0.00 C ATOM 67 O LEU A 4 -2.073 0.566 -1.008 1.00 0.00 O ATOM 68 CB LEU A 4 -3.846 -0.050 1.809 1.00 0.00 C ATOM 69 CG LEU A 4 -4.863 0.938 1.189 1.00 0.00 C ATOM 70 CD1 LEU A 4 -6.077 1.065 2.093 1.00 0.00 C ATOM 71 CD2 LEU A 4 -4.229 2.309 1.004 1.00 0.00 C ATOM 72 H LEU A 4 -2.265 -1.796 2.634 1.00 0.00 H ATOM 73 HA LEU A 4 -3.329 -1.309 0.122 1.00 0.00 H ATOM 74 HB2 LEU A 4 -4.407 -0.831 2.302 1.00 0.00 H ATOM 75 HB3 LEU A 4 -3.293 0.485 2.574 1.00 0.00 H ATOM 76 HG LEU A 4 -5.193 0.577 0.231 1.00 0.00 H ATOM 77 HD11 LEU A 4 -6.810 0.323 1.818 1.00 0.00 H ATOM 78 HD12 LEU A 4 -6.503 2.052 1.982 1.00 0.00 H ATOM 79 HD13 LEU A 4 -5.778 0.914 3.120 1.00 0.00 H ATOM 80 HD21 LEU A 4 -4.658 3.009 1.705 1.00 0.00 H ATOM 81 HD22 LEU A 4 -4.397 2.657 -0.005 1.00 0.00 H ATOM 82 HD23 LEU A 4 -3.170 2.235 1.180 1.00 0.00 H ATOM 83 N HIS A 5 -0.904 0.806 0.989 1.00 0.00 N ATOM 84 CA HIS A 5 0.091 1.801 0.552 1.00 0.00 C ATOM 85 C HIS A 5 1.161 1.203 -0.372 1.00 0.00 C ATOM 86 O HIS A 5 1.286 1.668 -1.517 1.00 0.00 O ATOM 87 CB HIS A 5 0.720 2.457 1.767 1.00 0.00 C ATOM 88 CG HIS A 5 0.129 3.794 2.094 1.00 0.00 C ATOM 89 ND1 HIS A 5 0.400 4.928 1.366 1.00 0.00 N ATOM 90 CD2 HIS A 5 -0.748 4.169 3.060 1.00 0.00 C ATOM 91 CE1 HIS A 5 -0.278 5.944 1.866 1.00 0.00 C ATOM 92 NE2 HIS A 5 -0.986 5.509 2.895 1.00 0.00 N ATOM 93 H HIS A 5 -0.864 0.501 1.918 1.00 0.00 H ATOM 94 HA HIS A 5 -0.443 2.562 -0.001 1.00 0.00 H ATOM 95 HB2 HIS A 5 0.573 1.821 2.625 1.00 0.00 H ATOM 96 HB3 HIS A 5 1.774 2.587 1.595 1.00 0.00 H ATOM 97 HD1 HIS A 5 1.004 4.983 0.598 1.00 0.00 H ATOM 98 HD2 HIS A 5 -1.172 3.535 3.823 1.00 0.00 H ATOM 99 HE1 HIS A 5 -0.240 6.964 1.504 1.00 0.00 H ATOM 100 HE2 HIS A 5 -1.667 6.027 3.377 1.00 0.00 H HETATM 101 C MK8 A 6 2.465 -1.093 -2.025 1.00 0.00 C HETATM 102 N MK8 A 6 1.939 0.145 0.112 1.00 0.00 N HETATM 103 O MK8 A 6 3.239 -1.572 -2.872 1.00 0.00 O HETATM 104 CA MK8 A 6 3.024 -0.552 -0.680 1.00 0.00 C HETATM 105 CB MK8 A 6 3.635 -1.713 0.126 1.00 0.00 C HETATM 106 CD MK8 A 6 3.483 -3.730 1.574 1.00 0.00 C HETATM 107 CE MK8 A 6 2.784 -4.756 2.522 1.00 0.00 C HETATM 108 CG MK8 A 6 2.674 -2.723 0.753 1.00 0.00 C HETATM 109 CB1 MK8 A 6 4.201 0.424 -0.931 1.00 0.00 C HETATM 110 HN MK8 A 6 1.766 -0.168 1.026 1.00 0.00 H HETATM 111 HB MK8 A 6 4.228 -1.290 0.920 1.00 0.00 H HETATM 112 HBA MK8 A 6 4.288 -2.271 -0.529 1.00 0.00 H HETATM 113 HD MK8 A 6 4.179 -3.150 2.175 1.00 0.00 H HETATM 114 HDA MK8 A 6 4.064 -4.315 0.881 1.00 0.00 H HETATM 115 HE MK8 A 6 2.446 -5.671 2.058 1.00 0.00 H HETATM 116 HG MK8 A 6 2.147 -3.245 -0.028 1.00 0.00 H HETATM 117 HGA MK8 A 6 1.976 -2.210 1.396 1.00 0.00 H HETATM 118 HB1 MK8 A 6 4.684 0.663 0.008 1.00 0.00 H HETATM 119 HB1A MK8 A 6 3.827 1.331 -1.382 1.00 0.00 H HETATM 120 HB1B MK8 A 6 4.914 -0.039 -1.596 1.00 0.00 H ATOM 121 N LEU A 7 1.094 -0.991 -2.182 1.00 0.00 N ATOM 122 CA LEU A 7 0.353 -1.421 -3.386 1.00 0.00 C ATOM 123 C LEU A 7 0.203 -0.250 -4.366 1.00 0.00 C ATOM 124 O LEU A 7 0.326 -0.455 -5.586 1.00 0.00 O ATOM 125 CB LEU A 7 -1.047 -1.959 -2.999 1.00 0.00 C ATOM 126 CG LEU A 7 -1.820 -2.726 -4.103 1.00 0.00 C ATOM 127 CD1 LEU A 7 -1.379 -4.189 -4.197 1.00 0.00 C ATOM 128 CD2 LEU A 7 -3.315 -2.629 -3.864 1.00 0.00 C ATOM 129 H LEU A 7 0.589 -0.598 -1.440 1.00 0.00 H ATOM 130 HA LEU A 7 0.914 -2.207 -3.862 1.00 0.00 H ATOM 131 HB2 LEU A 7 -0.926 -2.613 -2.152 1.00 0.00 H ATOM 132 HB3 LEU A 7 -1.654 -1.119 -2.695 1.00 0.00 H ATOM 133 HG LEU A 7 -1.611 -2.258 -5.052 1.00 0.00 H ATOM 134 HD11 LEU A 7 -1.967 -4.794 -3.517 1.00 0.00 H ATOM 135 HD12 LEU A 7 -0.340 -4.257 -3.931 1.00 0.00 H ATOM 136 HD13 LEU A 7 -1.518 -4.547 -5.209 1.00 0.00 H ATOM 137 HD21 LEU A 7 -3.527 -2.775 -2.816 1.00 0.00 H ATOM 138 HD22 LEU A 7 -3.826 -3.388 -4.446 1.00 0.00 H ATOM 139 HD23 LEU A 7 -3.661 -1.658 -4.172 1.00 0.00 H ATOM 140 N LEU A 8 -0.088 0.971 -3.788 1.00 0.00 N ATOM 141 CA LEU A 8 -0.307 2.217 -4.538 1.00 0.00 C ATOM 142 C LEU A 8 0.978 2.855 -5.038 1.00 0.00 C ATOM 143 O LEU A 8 1.001 3.331 -6.194 1.00 0.00 O ATOM 144 CB LEU A 8 -1.069 3.230 -3.621 1.00 0.00 C ATOM 145 CG LEU A 8 -2.641 3.297 -3.608 1.00 0.00 C ATOM 146 CD1 LEU A 8 -3.208 3.860 -4.909 1.00 0.00 C ATOM 147 CD2 LEU A 8 -3.372 1.986 -3.252 1.00 0.00 C ATOM 148 H LEU A 8 -0.179 1.018 -2.813 1.00 0.00 H ATOM 149 HA LEU A 8 -0.926 1.982 -5.384 1.00 0.00 H ATOM 150 HB2 LEU A 8 -0.755 3.047 -2.606 1.00 0.00 H ATOM 151 HB3 LEU A 8 -0.711 4.212 -3.892 1.00 0.00 H ATOM 152 HG LEU A 8 -2.894 3.996 -2.838 1.00 0.00 H ATOM 153 HD11 LEU A 8 -3.936 4.621 -4.681 1.00 0.00 H ATOM 154 HD12 LEU A 8 -3.674 3.069 -5.475 1.00 0.00 H ATOM 155 HD13 LEU A 8 -2.403 4.296 -5.486 1.00 0.00 H ATOM 156 HD21 LEU A 8 -3.771 2.060 -2.252 1.00 0.00 H ATOM 157 HD22 LEU A 8 -2.678 1.161 -3.301 1.00 0.00 H ATOM 158 HD23 LEU A 8 -4.181 1.819 -3.950 1.00 0.00 H ATOM 159 N GLN A 9 2.019 2.873 -4.135 1.00 0.00 N ATOM 160 CA GLN A 9 3.339 3.474 -4.429 1.00 0.00 C ATOM 161 C GLN A 9 4.134 2.619 -5.386 1.00 0.00 C ATOM 162 O GLN A 9 4.917 3.174 -6.177 1.00 0.00 O ATOM 163 CB GLN A 9 4.129 3.710 -3.147 1.00 0.00 C ATOM 164 CG GLN A 9 3.459 4.700 -2.210 1.00 0.00 C ATOM 165 CD GLN A 9 4.455 5.476 -1.368 1.00 0.00 C ATOM 166 OE1 GLN A 9 5.379 6.093 -1.889 1.00 0.00 O ATOM 167 NE2 GLN A 9 4.255 5.467 -0.058 1.00 0.00 N ATOM 168 H GLN A 9 1.873 2.482 -3.245 1.00 0.00 H ATOM 169 HA GLN A 9 3.169 4.433 -4.901 1.00 0.00 H ATOM 170 HB2 GLN A 9 4.238 2.772 -2.627 1.00 0.00 H ATOM 171 HB3 GLN A 9 5.109 4.086 -3.405 1.00 0.00 H ATOM 172 HG2 GLN A 9 2.870 5.393 -2.793 1.00 0.00 H ATOM 173 HG3 GLN A 9 2.804 4.146 -1.551 1.00 0.00 H ATOM 174 HE21 GLN A 9 3.485 4.976 0.290 1.00 0.00 H ATOM 175 HE22 GLN A 9 4.890 5.941 0.506 1.00 0.00 H ATOM 176 N ASP A 10 3.898 1.265 -5.307 1.00 0.00 N ATOM 177 CA ASP A 10 4.557 0.264 -6.163 1.00 0.00 C ATOM 178 C ASP A 10 4.022 0.375 -7.583 1.00 0.00 C ATOM 179 O ASP A 10 4.805 0.467 -8.549 1.00 0.00 O ATOM 180 CB ASP A 10 4.314 -1.132 -5.598 1.00 0.00 C ATOM 181 CG ASP A 10 5.152 -2.205 -6.264 1.00 0.00 C ATOM 182 OD1 ASP A 10 6.396 -2.124 -6.189 1.00 0.00 O ATOM 183 OD2 ASP A 10 4.559 -3.133 -6.850 1.00 0.00 O ATOM 184 H ASP A 10 3.237 0.949 -4.655 1.00 0.00 H ATOM 185 HA ASP A 10 5.613 0.480 -6.169 1.00 0.00 H ATOM 186 HB2 ASP A 10 4.541 -1.122 -4.544 1.00 0.00 H ATOM 187 HB3 ASP A 10 3.276 -1.389 -5.727 1.00 0.00 H ATOM 188 N SER A 11 2.649 0.357 -7.668 1.00 0.00 N ATOM 189 CA SER A 11 1.885 0.448 -8.930 1.00 0.00 C ATOM 190 C SER A 11 2.233 1.704 -9.717 1.00 0.00 C ATOM 191 O SER A 11 1.930 1.789 -10.906 1.00 0.00 O ATOM 192 CB SER A 11 0.381 0.422 -8.639 1.00 0.00 C ATOM 193 OG SER A 11 0.007 -0.832 -8.113 1.00 0.00 O ATOM 194 H SER A 11 2.144 0.275 -6.830 1.00 0.00 H ATOM 195 HA SER A 11 2.141 -0.415 -9.532 1.00 0.00 H ATOM 196 HB2 SER A 11 0.140 1.188 -7.923 1.00 0.00 H ATOM 197 HB3 SER A 11 -0.170 0.594 -9.542 1.00 0.00 H ATOM 198 HG SER A 11 -0.947 -0.883 -8.053 1.00 0.00 H HETATM 199 N NH2 A 12 2.627 2.749 -9.015 1.00 0.00 N HETATM 200 HN1 NH2 A 12 2.672 2.654 -8.038 1.00 0.00 H HETATM 201 HN2 NH2 A 12 2.853 3.585 -9.506 1.00 0.00 H TER 202 NH2 A 12