HETATM 1 C ACE A 0 -3.371 -3.096 6.994 1.00 0.00 C HETATM 2 O ACE A 0 -3.924 -3.569 5.981 1.00 0.00 O HETATM 3 CH3 ACE A 0 -3.108 -4.003 8.175 1.00 0.00 C HETATM 4 H1 ACE A 0 -2.652 -3.437 8.972 1.00 0.00 H HETATM 5 H2 ACE A 0 -2.449 -4.801 7.872 1.00 0.00 H HETATM 6 H3 ACE A 0 -4.044 -4.420 8.522 1.00 0.00 H ATOM 7 N HIS A 1 -2.977 -1.776 7.148 1.00 0.00 N ATOM 8 CA HIS A 1 -3.160 -0.737 6.115 1.00 0.00 C ATOM 9 C HIS A 1 -1.904 -0.506 5.285 1.00 0.00 C ATOM 10 O HIS A 1 -2.030 -0.090 4.121 1.00 0.00 O ATOM 11 CB HIS A 1 -3.577 0.592 6.766 1.00 0.00 C ATOM 12 CG HIS A 1 -4.418 1.471 5.898 1.00 0.00 C ATOM 13 ND1 HIS A 1 -5.746 1.212 5.637 1.00 0.00 N ATOM 14 CD2 HIS A 1 -4.123 2.620 5.246 1.00 0.00 C ATOM 15 CE1 HIS A 1 -6.231 2.163 4.861 1.00 0.00 C ATOM 16 NE2 HIS A 1 -5.264 3.028 4.611 1.00 0.00 N ATOM 17 H HIS A 1 -2.563 -1.512 7.992 1.00 0.00 H ATOM 18 HA HIS A 1 -3.947 -1.061 5.460 1.00 0.00 H ATOM 19 HB2 HIS A 1 -4.148 0.389 7.653 1.00 0.00 H ATOM 20 HB3 HIS A 1 -2.691 1.146 7.033 1.00 0.00 H ATOM 21 HD1 HIS A 1 -6.256 0.441 5.969 1.00 0.00 H ATOM 22 HD2 HIS A 1 -3.164 3.115 5.218 1.00 0.00 H ATOM 23 HE1 HIS A 1 -7.246 2.232 4.501 1.00 0.00 H ATOM 24 HE2 HIS A 1 -5.351 3.826 4.052 1.00 0.00 H HETATM 25 C MK8 A 2 0.671 -1.166 3.793 1.00 0.00 C HETATM 26 N MK8 A 2 -0.675 -0.740 5.908 1.00 0.00 N HETATM 27 O MK8 A 2 1.288 -0.634 2.829 1.00 0.00 O HETATM 28 CA MK8 A 2 0.653 -0.519 5.243 1.00 0.00 C HETATM 29 CB MK8 A 2 1.811 -1.096 6.101 1.00 0.00 C HETATM 30 CD MK8 A 2 2.217 -3.526 5.334 1.00 0.00 C HETATM 31 CE MK8 A 2 3.701 -3.619 4.927 1.00 0.00 C HETATM 32 CG MK8 A 2 1.769 -2.589 6.462 1.00 0.00 C HETATM 33 CB1 MK8 A 2 0.911 1.009 5.226 1.00 0.00 C HETATM 34 HN MK8 A 2 -0.680 -1.039 6.840 1.00 0.00 H HETATM 35 HB MK8 A 2 1.836 -0.539 7.026 1.00 0.00 H HETATM 36 HBA MK8 A 2 2.738 -0.920 5.579 1.00 0.00 H HETATM 37 HD MK8 A 2 1.652 -3.252 4.460 1.00 0.00 H HETATM 38 HDA MK8 A 2 1.923 -4.515 5.615 1.00 0.00 H HETATM 39 HE MK8 A 2 4.387 -3.792 5.727 1.00 0.00 H HETATM 40 HG MK8 A 2 0.767 -2.843 6.749 1.00 0.00 H HETATM 41 HGA MK8 A 2 2.424 -2.749 7.297 1.00 0.00 H HETATM 42 HB1 MK8 A 2 1.497 1.277 6.091 1.00 0.00 H HETATM 43 HB1A MK8 A 2 -0.034 1.537 5.256 1.00 0.00 H HETATM 44 HB1B MK8 A 2 1.448 1.280 4.332 1.00 0.00 H ATOM 45 N ILE A 3 -0.005 -2.377 3.706 1.00 0.00 N ATOM 46 CA ILE A 3 -0.078 -3.208 2.470 1.00 0.00 C ATOM 47 C ILE A 3 -0.763 -2.414 1.363 1.00 0.00 C ATOM 48 O ILE A 3 -0.309 -2.435 0.206 1.00 0.00 O ATOM 49 CB ILE A 3 -0.812 -4.607 2.658 1.00 0.00 C ATOM 50 CG1 ILE A 3 -0.501 -5.310 4.004 1.00 0.00 C ATOM 51 CG2 ILE A 3 -0.400 -5.584 1.548 1.00 0.00 C ATOM 52 CD1 ILE A 3 -1.267 -4.776 5.195 1.00 0.00 C ATOM 53 H ILE A 3 -0.421 -2.725 4.519 1.00 0.00 H ATOM 54 HA ILE A 3 0.944 -3.408 2.177 1.00 0.00 H ATOM 55 HB ILE A 3 -1.879 -4.442 2.575 1.00 0.00 H ATOM 56 HG12 ILE A 3 -0.725 -6.360 3.915 1.00 0.00 H ATOM 57 HG13 ILE A 3 0.545 -5.194 4.214 1.00 0.00 H ATOM 58 HG21 ILE A 3 -0.610 -5.142 0.586 1.00 0.00 H ATOM 59 HG22 ILE A 3 -0.963 -6.497 1.652 1.00 0.00 H ATOM 60 HG23 ILE A 3 0.661 -5.802 1.623 1.00 0.00 H ATOM 61 HD11 ILE A 3 -1.278 -5.518 5.972 1.00 0.00 H ATOM 62 HD12 ILE A 3 -2.281 -4.546 4.898 1.00 0.00 H ATOM 63 HD13 ILE A 3 -0.787 -3.878 5.558 1.00 0.00 H ATOM 64 N LEU A 4 -1.872 -1.712 1.767 1.00 0.00 N ATOM 65 CA LEU A 4 -2.706 -0.868 0.886 1.00 0.00 C ATOM 66 C LEU A 4 -1.845 0.194 0.181 1.00 0.00 C ATOM 67 O LEU A 4 -2.091 0.515 -0.992 1.00 0.00 O ATOM 68 CB LEU A 4 -3.804 -0.205 1.739 1.00 0.00 C ATOM 69 CG LEU A 4 -4.927 0.538 1.004 1.00 0.00 C ATOM 70 CD1 LEU A 4 -6.173 0.562 1.864 1.00 0.00 C ATOM 71 CD2 LEU A 4 -4.502 1.963 0.681 1.00 0.00 C ATOM 72 H LEU A 4 -2.130 -1.782 2.709 1.00 0.00 H ATOM 73 HA LEU A 4 -3.169 -1.503 0.142 1.00 0.00 H ATOM 74 HB2 LEU A 4 -4.269 -0.974 2.340 1.00 0.00 H ATOM 75 HB3 LEU A 4 -3.322 0.501 2.414 1.00 0.00 H ATOM 76 HG LEU A 4 -5.154 0.033 0.077 1.00 0.00 H ATOM 77 HD11 LEU A 4 -6.439 -0.442 2.157 1.00 0.00 H ATOM 78 HD12 LEU A 4 -6.984 1.005 1.300 1.00 0.00 H ATOM 79 HD13 LEU A 4 -5.978 1.158 2.745 1.00 0.00 H ATOM 80 HD21 LEU A 4 -3.535 1.950 0.199 1.00 0.00 H ATOM 81 HD22 LEU A 4 -4.436 2.527 1.601 1.00 0.00 H ATOM 82 HD23 LEU A 4 -5.230 2.423 0.023 1.00 0.00 H ATOM 83 N HIS A 5 -0.835 0.704 0.949 1.00 0.00 N ATOM 84 CA HIS A 5 0.126 1.730 0.508 1.00 0.00 C ATOM 85 C HIS A 5 1.218 1.147 -0.392 1.00 0.00 C ATOM 86 O HIS A 5 1.426 1.668 -1.493 1.00 0.00 O ATOM 87 CB HIS A 5 0.721 2.424 1.727 1.00 0.00 C ATOM 88 CG HIS A 5 0.118 3.764 1.972 1.00 0.00 C ATOM 89 ND1 HIS A 5 0.435 4.873 1.218 1.00 0.00 N ATOM 90 CD2 HIS A 5 -0.816 4.166 2.865 1.00 0.00 C ATOM 91 CE1 HIS A 5 -0.280 5.907 1.644 1.00 0.00 C ATOM 92 NE2 HIS A 5 -1.049 5.505 2.644 1.00 0.00 N ATOM 93 H HIS A 5 -0.748 0.362 1.861 1.00 0.00 H ATOM 94 HA HIS A 5 -0.428 2.458 -0.065 1.00 0.00 H ATOM 95 HB2 HIS A 5 0.539 1.812 2.598 1.00 0.00 H ATOM 96 HB3 HIS A 5 1.785 2.555 1.599 1.00 0.00 H ATOM 97 HD1 HIS A 5 1.089 4.896 0.481 1.00 0.00 H ATOM 98 HD2 HIS A 5 -1.309 3.540 3.606 1.00 0.00 H ATOM 99 HE1 HIS A 5 -0.228 6.917 1.253 1.00 0.00 H ATOM 100 HE2 HIS A 5 -1.516 6.100 3.264 1.00 0.00 H HETATM 101 C MK8 A 6 2.435 -1.116 -2.076 1.00 0.00 C HETATM 102 N MK8 A 6 1.906 0.039 0.086 1.00 0.00 N HETATM 103 O MK8 A 6 3.215 -1.531 -2.974 1.00 0.00 O HETATM 104 CA MK8 A 6 2.998 -0.682 -0.674 1.00 0.00 C HETATM 105 CB MK8 A 6 3.415 -1.991 0.084 1.00 0.00 C HETATM 106 CD MK8 A 6 3.512 -3.268 2.291 1.00 0.00 C HETATM 107 CE MK8 A 6 4.243 -3.513 3.651 1.00 0.00 C HETATM 108 CG MK8 A 6 3.660 -1.904 1.609 1.00 0.00 C HETATM 109 CB1 MK8 A 6 4.246 0.242 -0.869 1.00 0.00 C HETATM 110 HN MK8 A 6 1.655 -0.306 0.963 1.00 0.00 H HETATM 111 HB MK8 A 6 4.322 -2.362 -0.376 1.00 0.00 H HETATM 112 HBA MK8 A 6 2.636 -2.722 -0.059 1.00 0.00 H HETATM 113 HD MK8 A 6 3.858 -4.018 1.588 1.00 0.00 H HETATM 114 HDA MK8 A 6 2.464 -3.439 2.464 1.00 0.00 H HETATM 115 HE MK8 A 6 5.305 -3.611 3.595 1.00 0.00 H HETATM 116 HG MK8 A 6 2.948 -1.215 2.034 1.00 0.00 H HETATM 117 HGA MK8 A 6 4.660 -1.533 1.783 1.00 0.00 H HETATM 118 HB1 MK8 A 6 4.536 0.225 -1.909 1.00 0.00 H HETATM 119 HB1A MK8 A 6 5.059 -0.118 -0.261 1.00 0.00 H HETATM 120 HB1B MK8 A 6 3.998 1.253 -0.578 1.00 0.00 H ATOM 121 N LEU A 7 1.052 -1.043 -2.226 1.00 0.00 N ATOM 122 CA LEU A 7 0.322 -1.421 -3.462 1.00 0.00 C ATOM 123 C LEU A 7 0.167 -0.229 -4.415 1.00 0.00 C ATOM 124 O LEU A 7 0.299 -0.404 -5.644 1.00 0.00 O ATOM 125 CB LEU A 7 -1.068 -2.008 -3.113 1.00 0.00 C ATOM 126 CG LEU A 7 -1.787 -2.786 -4.247 1.00 0.00 C ATOM 127 CD1 LEU A 7 -1.255 -4.216 -4.412 1.00 0.00 C ATOM 128 CD2 LEU A 7 -3.286 -2.805 -3.998 1.00 0.00 C ATOM 129 H LEU A 7 0.522 -0.741 -1.456 1.00 0.00 H ATOM 130 HA LEU A 7 0.901 -2.193 -3.958 1.00 0.00 H ATOM 131 HB2 LEU A 7 -0.949 -2.671 -2.272 1.00 0.00 H ATOM 132 HB3 LEU A 7 -1.715 -1.186 -2.809 1.00 0.00 H ATOM 133 HG LEU A 7 -1.615 -2.280 -5.179 1.00 0.00 H ATOM 134 HD11 LEU A 7 -2.080 -4.910 -4.433 1.00 0.00 H ATOM 135 HD12 LEU A 7 -0.602 -4.456 -3.584 1.00 0.00 H ATOM 136 HD13 LEU A 7 -0.696 -4.288 -5.336 1.00 0.00 H ATOM 137 HD21 LEU A 7 -3.806 -2.811 -4.943 1.00 0.00 H ATOM 138 HD22 LEU A 7 -3.572 -1.926 -3.433 1.00 0.00 H ATOM 139 HD23 LEU A 7 -3.546 -3.692 -3.441 1.00 0.00 H ATOM 140 N LEU A 8 -0.132 0.975 -3.815 1.00 0.00 N ATOM 141 CA LEU A 8 -0.345 2.245 -4.547 1.00 0.00 C ATOM 142 C LEU A 8 0.971 2.866 -4.998 1.00 0.00 C ATOM 143 O LEU A 8 1.029 3.440 -6.097 1.00 0.00 O ATOM 144 CB LEU A 8 -1.110 3.268 -3.673 1.00 0.00 C ATOM 145 CG LEU A 8 -2.393 2.779 -2.962 1.00 0.00 C ATOM 146 CD1 LEU A 8 -2.722 3.717 -1.822 1.00 0.00 C ATOM 147 CD2 LEU A 8 -3.597 2.686 -3.900 1.00 0.00 C ATOM 148 H LEU A 8 -0.220 0.990 -2.847 1.00 0.00 H ATOM 149 HA LEU A 8 -0.941 2.020 -5.417 1.00 0.00 H ATOM 150 HB2 LEU A 8 -0.435 3.628 -2.910 1.00 0.00 H ATOM 151 HB3 LEU A 8 -1.380 4.106 -4.303 1.00 0.00 H ATOM 152 HG LEU A 8 -2.216 1.802 -2.542 1.00 0.00 H ATOM 153 HD11 LEU A 8 -1.971 3.617 -1.052 1.00 0.00 H ATOM 154 HD12 LEU A 8 -3.692 3.471 -1.420 1.00 0.00 H ATOM 155 HD13 LEU A 8 -2.731 4.726 -2.187 1.00 0.00 H ATOM 156 HD21 LEU A 8 -4.491 2.540 -3.314 1.00 0.00 H ATOM 157 HD22 LEU A 8 -3.465 1.849 -4.573 1.00 0.00 H ATOM 158 HD23 LEU A 8 -3.681 3.597 -4.468 1.00 0.00 H ATOM 159 N GLN A 9 2.013 2.733 -4.106 1.00 0.00 N ATOM 160 CA GLN A 9 3.368 3.271 -4.324 1.00 0.00 C ATOM 161 C GLN A 9 4.134 2.450 -5.360 1.00 0.00 C ATOM 162 O GLN A 9 4.889 3.030 -6.167 1.00 0.00 O ATOM 163 CB GLN A 9 4.140 3.308 -2.994 1.00 0.00 C ATOM 164 CG GLN A 9 3.498 4.192 -1.913 1.00 0.00 C ATOM 165 CD GLN A 9 4.258 4.144 -0.598 1.00 0.00 C ATOM 166 OE1 GLN A 9 4.453 3.077 -0.013 1.00 0.00 O ATOM 167 NE2 GLN A 9 4.674 5.306 -0.112 1.00 0.00 N ATOM 168 H GLN A 9 1.835 2.256 -3.266 1.00 0.00 H ATOM 169 HA GLN A 9 3.269 4.282 -4.690 1.00 0.00 H ATOM 170 HB2 GLN A 9 4.213 2.303 -2.608 1.00 0.00 H ATOM 171 HB3 GLN A 9 5.134 3.680 -3.181 1.00 0.00 H ATOM 172 HG2 GLN A 9 3.477 5.212 -2.262 1.00 0.00 H ATOM 173 HG3 GLN A 9 2.483 3.861 -1.736 1.00 0.00 H ATOM 174 HE21 GLN A 9 4.466 6.118 -0.613 1.00 0.00 H ATOM 175 HE22 GLN A 9 5.177 5.303 0.727 1.00 0.00 H ATOM 176 N ASP A 10 3.897 1.089 -5.330 1.00 0.00 N ATOM 177 CA ASP A 10 4.516 0.118 -6.256 1.00 0.00 C ATOM 178 C ASP A 10 3.954 0.312 -7.662 1.00 0.00 C ATOM 179 O ASP A 10 4.726 0.329 -8.647 1.00 0.00 O ATOM 180 CB ASP A 10 4.234 -1.314 -5.789 1.00 0.00 C ATOM 181 CG ASP A 10 5.025 -2.358 -6.565 1.00 0.00 C ATOM 182 OD1 ASP A 10 4.755 -2.544 -7.775 1.00 0.00 O ATOM 183 OD2 ASP A 10 5.911 -2.993 -5.954 1.00 0.00 O ATOM 184 H ASP A 10 3.277 0.747 -4.662 1.00 0.00 H ATOM 185 HA ASP A 10 5.583 0.292 -6.265 1.00 0.00 H ATOM 186 HB2 ASP A 10 4.486 -1.403 -4.742 1.00 0.00 H ATOM 187 HB3 ASP A 10 3.181 -1.530 -5.917 1.00 0.00 H ATOM 188 N SER A 11 2.583 0.443 -7.709 1.00 0.00 N ATOM 189 CA SER A 11 1.815 0.628 -8.944 1.00 0.00 C ATOM 190 C SER A 11 2.190 1.919 -9.658 1.00 0.00 C ATOM 191 O SER A 11 1.947 2.055 -10.854 1.00 0.00 O ATOM 192 CB SER A 11 0.312 0.595 -8.634 1.00 0.00 C ATOM 193 OG SER A 11 -0.093 -0.692 -8.192 1.00 0.00 O ATOM 194 H SER A 11 2.092 0.406 -6.873 1.00 0.00 H ATOM 195 HA SER A 11 2.044 -0.194 -9.592 1.00 0.00 H ATOM 196 HB2 SER A 11 0.081 1.314 -7.857 1.00 0.00 H ATOM 197 HB3 SER A 11 -0.233 0.843 -9.522 1.00 0.00 H ATOM 198 HG SER A 11 -0.707 -0.605 -7.456 1.00 0.00 H HETATM 199 N NH2 A 12 2.634 2.910 -8.899 1.00 0.00 N HETATM 200 HN1 NH2 A 12 2.705 2.765 -7.940 1.00 0.00 H HETATM 201 HN2 NH2 A 12 2.870 3.746 -9.328 1.00 0.00 H TER 202 NH2 A 12