HETATM 1 C ACE A 0 -3.097 -2.892 7.467 1.00 0.00 C HETATM 2 O ACE A 0 -3.791 -3.502 6.630 1.00 0.00 O HETATM 3 CH3 ACE A 0 -2.611 -3.621 8.694 1.00 0.00 C HETATM 4 H1 ACE A 0 -1.634 -3.252 8.975 1.00 0.00 H HETATM 5 H2 ACE A 0 -2.558 -4.676 8.481 1.00 0.00 H HETATM 6 H3 ACE A 0 -3.304 -3.453 9.508 1.00 0.00 H ATOM 7 N HIS A 1 -2.718 -1.577 7.387 1.00 0.00 N ATOM 8 CA HIS A 1 -3.089 -0.674 6.279 1.00 0.00 C ATOM 9 C HIS A 1 -1.911 -0.437 5.336 1.00 0.00 C ATOM 10 O HIS A 1 -2.130 -0.129 4.159 1.00 0.00 O ATOM 11 CB HIS A 1 -3.573 0.674 6.834 1.00 0.00 C ATOM 12 CG HIS A 1 -4.492 1.418 5.923 1.00 0.00 C ATOM 13 ND1 HIS A 1 -5.830 1.119 5.780 1.00 0.00 N ATOM 14 CD2 HIS A 1 -4.261 2.468 5.108 1.00 0.00 C ATOM 15 CE1 HIS A 1 -6.380 1.958 4.919 1.00 0.00 C ATOM 16 NE2 HIS A 1 -5.444 2.785 4.499 1.00 0.00 N ATOM 17 H HIS A 1 -2.170 -1.213 8.121 1.00 0.00 H ATOM 18 HA HIS A 1 -3.890 -1.129 5.719 1.00 0.00 H ATOM 19 HB2 HIS A 1 -4.097 0.508 7.759 1.00 0.00 H ATOM 20 HB3 HIS A 1 -2.715 1.307 7.023 1.00 0.00 H ATOM 21 HD1 HIS A 1 -6.303 0.405 6.244 1.00 0.00 H ATOM 22 HD2 HIS A 1 -3.311 2.954 4.953 1.00 0.00 H ATOM 23 HE1 HIS A 1 -7.411 1.964 4.601 1.00 0.00 H ATOM 24 HE2 HIS A 1 -5.583 3.525 3.885 1.00 0.00 H HETATM 25 C MK8 A 2 0.597 -1.026 3.713 1.00 0.00 C HETATM 26 N MK8 A 2 -0.627 -0.551 5.888 1.00 0.00 N HETATM 27 O MK8 A 2 1.069 -0.512 2.675 1.00 0.00 O HETATM 28 CA MK8 A 2 0.651 -0.302 5.128 1.00 0.00 C HETATM 29 CB MK8 A 2 1.906 -0.724 6.010 1.00 0.00 C HETATM 30 CD MK8 A 2 3.189 -2.565 4.763 1.00 0.00 C HETATM 31 CE MK8 A 2 3.407 -4.038 4.437 1.00 0.00 C HETATM 32 CG MK8 A 2 2.418 -2.193 6.043 1.00 0.00 C HETATM 33 CB1 MK8 A 2 0.789 1.237 5.008 1.00 0.00 C HETATM 34 HN MK8 A 2 -0.559 -0.775 6.833 1.00 0.00 H HETATM 35 HB MK8 A 2 1.681 -0.446 7.032 1.00 0.00 H HETATM 36 HBA MK8 A 2 2.738 -0.126 5.690 1.00 0.00 H HETATM 37 HD MK8 A 2 4.155 -2.091 4.812 1.00 0.00 H HETATM 38 HDA MK8 A 2 2.657 -2.139 3.933 1.00 0.00 H HETATM 39 HE MK8 A 2 3.539 -4.700 5.280 1.00 0.00 H HETATM 40 HG MK8 A 2 1.584 -2.854 6.164 1.00 0.00 H HETATM 41 HGA MK8 A 2 3.083 -2.298 6.891 1.00 0.00 H HETATM 42 HB1 MK8 A 2 0.486 1.695 5.940 1.00 0.00 H HETATM 43 HB1A MK8 A 2 0.165 1.597 4.207 1.00 0.00 H HETATM 44 HB1B MK8 A 2 1.819 1.488 4.808 1.00 0.00 H ATOM 45 N ILE A 3 0.058 -2.306 3.766 1.00 0.00 N ATOM 46 CA ILE A 3 -0.062 -3.230 2.601 1.00 0.00 C ATOM 47 C ILE A 3 -0.799 -2.527 1.449 1.00 0.00 C ATOM 48 O ILE A 3 -0.326 -2.539 0.302 1.00 0.00 O ATOM 49 CB ILE A 3 -0.796 -4.605 2.919 1.00 0.00 C ATOM 50 CG1 ILE A 3 -0.471 -5.199 4.310 1.00 0.00 C ATOM 51 CG2 ILE A 3 -0.416 -5.668 1.881 1.00 0.00 C ATOM 52 CD1 ILE A 3 -1.220 -4.568 5.460 1.00 0.00 C ATOM 53 H ILE A 3 -0.223 -2.641 4.638 1.00 0.00 H ATOM 54 HA ILE A 3 0.941 -3.457 2.270 1.00 0.00 H ATOM 55 HB ILE A 3 -1.861 -4.434 2.850 1.00 0.00 H ATOM 56 HG12 ILE A 3 -0.712 -6.249 4.303 1.00 0.00 H ATOM 57 HG13 ILE A 3 0.578 -5.081 4.502 1.00 0.00 H ATOM 58 HG21 ILE A 3 -0.097 -6.567 2.387 1.00 0.00 H ATOM 59 HG22 ILE A 3 0.388 -5.295 1.268 1.00 0.00 H ATOM 60 HG23 ILE A 3 -1.274 -5.890 1.258 1.00 0.00 H ATOM 61 HD11 ILE A 3 -0.708 -4.780 6.383 1.00 0.00 H ATOM 62 HD12 ILE A 3 -2.223 -4.966 5.504 1.00 0.00 H ATOM 63 HD13 ILE A 3 -1.262 -3.499 5.313 1.00 0.00 H ATOM 64 N LEU A 4 -1.959 -1.894 1.812 1.00 0.00 N ATOM 65 CA LEU A 4 -2.838 -1.130 0.898 1.00 0.00 C ATOM 66 C LEU A 4 -2.028 -0.075 0.134 1.00 0.00 C ATOM 67 O LEU A 4 -2.305 0.208 -1.046 1.00 0.00 O ATOM 68 CB LEU A 4 -3.925 -0.478 1.767 1.00 0.00 C ATOM 69 CG LEU A 4 -5.069 0.275 1.069 1.00 0.00 C ATOM 70 CD1 LEU A 4 -6.265 0.309 1.989 1.00 0.00 C ATOM 71 CD2 LEU A 4 -4.647 1.701 0.715 1.00 0.00 C ATOM 72 H LEU A 4 -2.219 -1.939 2.761 1.00 0.00 H ATOM 73 HA LEU A 4 -3.300 -1.811 0.200 1.00 0.00 H ATOM 74 HB2 LEU A 4 -4.366 -1.259 2.368 1.00 0.00 H ATOM 75 HB3 LEU A 4 -3.431 0.213 2.433 1.00 0.00 H ATOM 76 HG LEU A 4 -5.352 -0.238 0.163 1.00 0.00 H ATOM 77 HD11 LEU A 4 -5.951 0.663 2.963 1.00 0.00 H ATOM 78 HD12 LEU A 4 -6.679 -0.686 2.082 1.00 0.00 H ATOM 79 HD13 LEU A 4 -7.007 0.976 1.589 1.00 0.00 H ATOM 80 HD21 LEU A 4 -5.453 2.194 0.196 1.00 0.00 H ATOM 81 HD22 LEU A 4 -3.769 1.673 0.079 1.00 0.00 H ATOM 82 HD23 LEU A 4 -4.413 2.239 1.624 1.00 0.00 H ATOM 83 N HIS A 5 -1.034 0.480 0.879 1.00 0.00 N ATOM 84 CA HIS A 5 -0.112 1.514 0.415 1.00 0.00 C ATOM 85 C HIS A 5 1.014 0.945 -0.448 1.00 0.00 C ATOM 86 O HIS A 5 1.367 1.563 -1.464 1.00 0.00 O ATOM 87 CB HIS A 5 0.460 2.245 1.615 1.00 0.00 C ATOM 88 CG HIS A 5 -0.155 3.591 1.841 1.00 0.00 C ATOM 89 ND1 HIS A 5 0.171 4.706 1.091 1.00 0.00 N ATOM 90 CD2 HIS A 5 -1.100 4.003 2.727 1.00 0.00 C ATOM 91 CE1 HIS A 5 -0.539 5.739 1.509 1.00 0.00 C ATOM 92 NE2 HIS A 5 -1.316 5.342 2.502 1.00 0.00 N ATOM 93 H HIS A 5 -0.938 0.165 1.799 1.00 0.00 H ATOM 94 HA HIS A 5 -0.674 2.222 -0.171 1.00 0.00 H ATOM 95 HB2 HIS A 5 0.285 1.651 2.495 1.00 0.00 H ATOM 96 HB3 HIS A 5 1.521 2.372 1.473 1.00 0.00 H ATOM 97 HD1 HIS A 5 0.821 4.733 0.358 1.00 0.00 H ATOM 98 HD2 HIS A 5 -1.616 3.380 3.456 1.00 0.00 H ATOM 99 HE1 HIS A 5 -0.499 6.738 1.102 1.00 0.00 H ATOM 100 HE2 HIS A 5 -1.866 5.930 3.060 1.00 0.00 H HETATM 101 C MK8 A 6 2.240 -1.237 -2.219 1.00 0.00 C HETATM 102 N MK8 A 6 1.586 -0.254 -0.023 1.00 0.00 N HETATM 103 O MK8 A 6 3.071 -1.514 -3.125 1.00 0.00 O HETATM 104 CA MK8 A 6 2.702 -0.965 -0.744 1.00 0.00 C HETATM 105 CB MK8 A 6 2.993 -2.361 -0.118 1.00 0.00 C HETATM 106 CD MK8 A 6 3.299 -3.987 1.749 1.00 0.00 C HETATM 107 CE MK8 A 6 3.451 -4.618 3.192 1.00 0.00 C HETATM 108 CG MK8 A 6 3.033 -2.509 1.425 1.00 0.00 C HETATM 109 CB1 MK8 A 6 4.013 -0.122 -0.712 1.00 0.00 C HETATM 110 HN MK8 A 6 1.240 -0.659 0.785 1.00 0.00 H HETATM 111 HB MK8 A 6 3.957 -2.683 -0.497 1.00 0.00 H HETATM 112 HBA MK8 A 6 2.245 -3.051 -0.485 1.00 0.00 H HETATM 113 HD MK8 A 6 4.195 -4.253 1.195 1.00 0.00 H HETATM 114 HDA MK8 A 6 2.493 -4.524 1.294 1.00 0.00 H HETATM 115 HE MK8 A 6 3.618 -5.681 3.202 1.00 0.00 H HETATM 116 HG MK8 A 6 2.086 -2.219 1.847 1.00 0.00 H HETATM 117 HGA MK8 A 6 3.824 -1.896 1.825 1.00 0.00 H HETATM 118 HB1 MK8 A 6 4.276 0.101 0.314 1.00 0.00 H HETATM 119 HB1A MK8 A 6 3.862 0.802 -1.256 1.00 0.00 H HETATM 120 HB1B MK8 A 6 4.807 -0.679 -1.176 1.00 0.00 H ATOM 121 N LEU A 7 0.867 -1.195 -2.404 1.00 0.00 N ATOM 122 CA LEU A 7 0.191 -1.451 -3.692 1.00 0.00 C ATOM 123 C LEU A 7 0.133 -0.190 -4.558 1.00 0.00 C ATOM 124 O LEU A 7 0.247 -0.292 -5.796 1.00 0.00 O ATOM 125 CB LEU A 7 -1.241 -1.990 -3.455 1.00 0.00 C ATOM 126 CG LEU A 7 -1.950 -2.623 -4.671 1.00 0.00 C ATOM 127 CD1 LEU A 7 -1.521 -4.084 -4.871 1.00 0.00 C ATOM 128 CD2 LEU A 7 -3.452 -2.535 -4.515 1.00 0.00 C ATOM 129 H LEU A 7 0.313 -1.008 -1.615 1.00 0.00 H ATOM 130 HA LEU A 7 0.766 -2.200 -4.217 1.00 0.00 H ATOM 131 HB2 LEU A 7 -1.210 -2.737 -2.669 1.00 0.00 H ATOM 132 HB3 LEU A 7 -1.843 -1.169 -3.109 1.00 0.00 H ATOM 133 HG LEU A 7 -1.683 -2.070 -5.561 1.00 0.00 H ATOM 134 HD11 LEU A 7 -0.887 -4.159 -5.744 1.00 0.00 H ATOM 135 HD12 LEU A 7 -2.394 -4.706 -5.008 1.00 0.00 H ATOM 136 HD13 LEU A 7 -0.980 -4.417 -4.001 1.00 0.00 H ATOM 137 HD21 LEU A 7 -3.777 -3.251 -3.782 1.00 0.00 H ATOM 138 HD22 LEU A 7 -3.917 -2.743 -5.468 1.00 0.00 H ATOM 139 HD23 LEU A 7 -3.727 -1.538 -4.199 1.00 0.00 H ATOM 140 N LEU A 8 -0.098 0.972 -3.874 1.00 0.00 N ATOM 141 CA LEU A 8 -0.250 2.297 -4.508 1.00 0.00 C ATOM 142 C LEU A 8 1.075 2.902 -4.937 1.00 0.00 C ATOM 143 O LEU A 8 1.139 3.485 -6.034 1.00 0.00 O ATOM 144 CB LEU A 8 -0.972 3.274 -3.548 1.00 0.00 C ATOM 145 CG LEU A 8 -2.281 2.790 -2.875 1.00 0.00 C ATOM 146 CD1 LEU A 8 -2.608 3.715 -1.723 1.00 0.00 C ATOM 147 CD2 LEU A 8 -3.487 2.742 -3.822 1.00 0.00 C ATOM 148 H LEU A 8 -0.211 0.912 -2.906 1.00 0.00 H ATOM 149 HA LEU A 8 -0.863 2.169 -5.386 1.00 0.00 H ATOM 150 HB2 LEU A 8 -0.277 3.523 -2.756 1.00 0.00 H ATOM 151 HB3 LEU A 8 -1.192 4.181 -4.097 1.00 0.00 H ATOM 152 HG LEU A 8 -2.127 1.799 -2.473 1.00 0.00 H ATOM 153 HD11 LEU A 8 -2.357 4.733 -1.997 1.00 0.00 H ATOM 154 HD12 LEU A 8 -2.037 3.423 -0.852 1.00 0.00 H ATOM 155 HD13 LEU A 8 -3.661 3.651 -1.507 1.00 0.00 H ATOM 156 HD21 LEU A 8 -3.753 3.741 -4.110 1.00 0.00 H ATOM 157 HD22 LEU A 8 -4.321 2.278 -3.313 1.00 0.00 H ATOM 158 HD23 LEU A 8 -3.234 2.167 -4.701 1.00 0.00 H ATOM 159 N GLN A 9 2.114 2.755 -4.046 1.00 0.00 N ATOM 160 CA GLN A 9 3.469 3.295 -4.263 1.00 0.00 C ATOM 161 C GLN A 9 4.225 2.485 -5.313 1.00 0.00 C ATOM 162 O GLN A 9 5.022 3.064 -6.082 1.00 0.00 O ATOM 163 CB GLN A 9 4.262 3.341 -2.948 1.00 0.00 C ATOM 164 CG GLN A 9 3.689 4.314 -1.928 1.00 0.00 C ATOM 165 CD GLN A 9 4.750 4.900 -1.008 1.00 0.00 C ATOM 166 OE1 GLN A 9 5.766 5.428 -1.461 1.00 0.00 O ATOM 167 NE2 GLN A 9 4.504 4.854 0.295 1.00 0.00 N ATOM 168 H GLN A 9 1.939 2.273 -3.215 1.00 0.00 H ATOM 169 HA GLN A 9 3.347 4.304 -4.622 1.00 0.00 H ATOM 170 HB2 GLN A 9 4.264 2.356 -2.511 1.00 0.00 H ATOM 171 HB3 GLN A 9 5.281 3.632 -3.166 1.00 0.00 H ATOM 172 HG2 GLN A 9 3.202 5.117 -2.454 1.00 0.00 H ATOM 173 HG3 GLN A 9 2.957 3.792 -1.317 1.00 0.00 H ATOM 174 HE21 GLN A 9 3.664 4.451 0.598 1.00 0.00 H ATOM 175 HE22 GLN A 9 5.174 5.234 0.899 1.00 0.00 H ATOM 176 N ASP A 10 3.943 1.136 -5.330 1.00 0.00 N ATOM 177 CA ASP A 10 4.559 0.170 -6.269 1.00 0.00 C ATOM 178 C ASP A 10 4.050 0.407 -7.682 1.00 0.00 C ATOM 179 O ASP A 10 4.846 0.412 -8.646 1.00 0.00 O ATOM 180 CB ASP A 10 4.248 -1.263 -5.841 1.00 0.00 C ATOM 181 CG ASP A 10 5.027 -2.300 -6.633 1.00 0.00 C ATOM 182 OD1 ASP A 10 4.899 -2.319 -7.874 1.00 0.00 O ATOM 183 OD2 ASP A 10 5.761 -3.093 -6.007 1.00 0.00 O ATOM 184 H ASP A 10 3.288 0.800 -4.681 1.00 0.00 H ATOM 185 HA ASP A 10 5.625 0.324 -6.255 1.00 0.00 H ATOM 186 HB2 ASP A 10 4.479 -1.388 -4.793 1.00 0.00 H ATOM 187 HB3 ASP A 10 3.197 -1.443 -5.991 1.00 0.00 H ATOM 188 N SER A 11 2.695 0.604 -7.766 1.00 0.00 N ATOM 189 CA SER A 11 1.966 0.859 -9.034 1.00 0.00 C ATOM 190 C SER A 11 2.468 2.136 -9.730 1.00 0.00 C ATOM 191 O SER A 11 2.341 2.287 -10.948 1.00 0.00 O ATOM 192 CB SER A 11 0.466 0.965 -8.773 1.00 0.00 C ATOM 193 OG SER A 11 -0.076 -0.273 -8.370 1.00 0.00 O ATOM 194 H SER A 11 2.184 0.573 -6.929 1.00 0.00 H ATOM 195 HA SER A 11 2.147 0.019 -9.690 1.00 0.00 H ATOM 196 HB2 SER A 11 0.280 1.690 -7.994 1.00 0.00 H ATOM 197 HB3 SER A 11 -0.021 1.281 -9.677 1.00 0.00 H ATOM 198 HG SER A 11 -0.411 -0.738 -9.144 1.00 0.00 H HETATM 199 N NH2 A 12 2.862 3.130 -8.937 1.00 0.00 N HETATM 200 HN1 NH2 A 12 2.815 2.999 -7.974 1.00 0.00 H HETATM 201 HN2 NH2 A 12 3.190 3.953 -9.359 1.00 0.00 H TER 202 NH2 A 12