HETATM 1 C ACE A 0 5.305 5.315 3.608 1.00 0.00 C HETATM 2 O ACE A 0 4.232 4.864 4.050 1.00 0.00 O HETATM 3 CH3 ACE A 0 6.587 5.077 4.382 1.00 0.00 C HETATM 4 H1 ACE A 0 6.859 5.976 4.915 1.00 0.00 H HETATM 5 H2 ACE A 0 7.377 4.812 3.696 1.00 0.00 H HETATM 6 H3 ACE A 0 6.437 4.272 5.087 1.00 0.00 H ATOM 7 N HIS A 1 5.443 6.045 2.445 1.00 0.00 N ATOM 8 CA HIS A 1 4.323 6.398 1.546 1.00 0.00 C ATOM 9 C HIS A 1 3.893 5.186 0.693 1.00 0.00 C ATOM 10 O HIS A 1 2.706 5.103 0.321 1.00 0.00 O ATOM 11 CB HIS A 1 4.728 7.594 0.650 1.00 0.00 C ATOM 12 CG HIS A 1 3.582 8.282 -0.046 1.00 0.00 C ATOM 13 ND1 HIS A 1 2.533 8.868 0.629 1.00 0.00 N ATOM 14 CD2 HIS A 1 3.330 8.468 -1.364 1.00 0.00 C ATOM 15 CE1 HIS A 1 1.684 9.384 -0.243 1.00 0.00 C ATOM 16 NE2 HIS A 1 2.145 9.155 -1.458 1.00 0.00 N ATOM 17 H HIS A 1 6.342 6.360 2.206 1.00 0.00 H ATOM 18 HA HIS A 1 3.489 6.698 2.165 1.00 0.00 H ATOM 19 HB2 HIS A 1 5.227 8.333 1.259 1.00 0.00 H ATOM 20 HB3 HIS A 1 5.414 7.250 -0.109 1.00 0.00 H ATOM 21 HD1 HIS A 1 2.425 8.898 1.602 1.00 0.00 H ATOM 22 HD2 HIS A 1 3.946 8.136 -2.189 1.00 0.00 H ATOM 23 HE1 HIS A 1 0.771 9.908 -0.002 1.00 0.00 H ATOM 24 HE2 HIS A 1 1.736 9.475 -2.289 1.00 0.00 H ATOM 25 N LYS A 2 4.887 4.272 0.388 1.00 0.00 N ATOM 26 CA LYS A 2 4.669 3.055 -0.439 1.00 0.00 C ATOM 27 C LYS A 2 3.839 1.989 0.262 1.00 0.00 C ATOM 28 O LYS A 2 2.889 1.459 -0.334 1.00 0.00 O ATOM 29 CB LYS A 2 5.989 2.421 -0.896 1.00 0.00 C ATOM 30 CG LYS A 2 6.736 3.217 -1.951 1.00 0.00 C ATOM 31 CD LYS A 2 7.961 2.460 -2.441 1.00 0.00 C ATOM 32 CE LYS A 2 8.757 3.266 -3.459 1.00 0.00 C ATOM 33 NZ LYS A 2 7.959 3.574 -4.681 1.00 0.00 N ATOM 34 H LYS A 2 5.787 4.444 0.729 1.00 0.00 H ATOM 35 HA LYS A 2 4.125 3.368 -1.317 1.00 0.00 H ATOM 36 HB2 LYS A 2 6.636 2.296 -0.045 1.00 0.00 H ATOM 37 HB3 LYS A 2 5.772 1.446 -1.308 1.00 0.00 H ATOM 38 HG2 LYS A 2 6.077 3.395 -2.789 1.00 0.00 H ATOM 39 HG3 LYS A 2 7.052 4.158 -1.534 1.00 0.00 H ATOM 40 HD2 LYS A 2 8.595 2.240 -1.596 1.00 0.00 H ATOM 41 HD3 LYS A 2 7.638 1.536 -2.900 1.00 0.00 H ATOM 42 HE2 LYS A 2 9.070 4.193 -3.001 1.00 0.00 H ATOM 43 HE3 LYS A 2 9.630 2.696 -3.744 1.00 0.00 H ATOM 44 HZ1 LYS A 2 8.431 3.188 -5.523 1.00 0.00 H ATOM 45 HZ2 LYS A 2 7.860 4.603 -4.793 1.00 0.00 H ATOM 46 HZ3 LYS A 2 7.011 3.153 -4.603 1.00 0.00 H HETATM 47 C MK8 A 3 2.001 0.633 2.254 1.00 0.00 C HETATM 48 N MK8 A 3 4.234 1.616 1.549 1.00 0.00 N HETATM 49 O MK8 A 3 1.285 -0.393 2.287 1.00 0.00 O HETATM 50 CA MK8 A 3 3.577 0.533 2.375 1.00 0.00 C HETATM 51 CB MK8 A 3 4.034 0.705 3.887 1.00 0.00 C HETATM 52 CD MK8 A 3 2.023 0.196 5.428 1.00 0.00 C HETATM 53 CE MK8 A 3 1.154 -0.812 6.250 1.00 0.00 C HETATM 54 CG MK8 A 3 3.423 -0.224 5.000 1.00 0.00 C HETATM 55 CB1 MK8 A 3 4.157 -0.802 1.808 1.00 0.00 C HETATM 56 HN MK8 A 3 5.018 2.052 1.930 1.00 0.00 H HETATM 57 HB MK8 A 3 3.824 1.727 4.174 1.00 0.00 H HETATM 58 HBA MK8 A 3 5.102 0.570 3.922 1.00 0.00 H HETATM 59 HD MK8 A 3 1.479 0.451 4.531 1.00 0.00 H HETATM 60 HDA MK8 A 3 2.124 1.088 6.022 1.00 0.00 H HETATM 61 HE MK8 A 3 1.311 -0.817 7.320 1.00 0.00 H HETATM 62 HG MK8 A 3 4.077 -0.201 5.862 1.00 0.00 H HETATM 63 HGA MK8 A 3 3.375 -1.232 4.619 1.00 0.00 H HETATM 64 HB1 MK8 A 3 4.427 -0.664 0.771 1.00 0.00 H HETATM 65 HB1A MK8 A 3 3.417 -1.582 1.888 1.00 0.00 H HETATM 66 HB1B MK8 A 3 5.035 -1.079 2.375 1.00 0.00 H ATOM 67 N LEU A 4 1.511 1.931 2.105 1.00 0.00 N ATOM 68 CA LEU A 4 0.068 2.262 1.978 1.00 0.00 C ATOM 69 C LEU A 4 -0.504 1.705 0.678 1.00 0.00 C ATOM 70 O LEU A 4 -1.522 0.991 0.722 1.00 0.00 O ATOM 71 CB LEU A 4 -0.197 3.809 2.051 1.00 0.00 C ATOM 72 CG LEU A 4 -1.573 4.367 2.623 1.00 0.00 C ATOM 73 CD1 LEU A 4 -2.829 3.905 1.860 1.00 0.00 C ATOM 74 CD2 LEU A 4 -1.746 4.086 4.120 1.00 0.00 C ATOM 75 H LEU A 4 2.159 2.671 2.081 1.00 0.00 H ATOM 76 HA LEU A 4 -0.443 1.787 2.798 1.00 0.00 H ATOM 77 HB2 LEU A 4 0.588 4.240 2.651 1.00 0.00 H ATOM 78 HB3 LEU A 4 -0.087 4.196 1.048 1.00 0.00 H ATOM 79 HG LEU A 4 -1.543 5.443 2.518 1.00 0.00 H ATOM 80 HD11 LEU A 4 -3.658 4.551 2.107 1.00 0.00 H ATOM 81 HD12 LEU A 4 -3.066 2.890 2.147 1.00 0.00 H ATOM 82 HD13 LEU A 4 -2.640 3.944 0.800 1.00 0.00 H ATOM 83 HD21 LEU A 4 -2.449 3.275 4.254 1.00 0.00 H ATOM 84 HD22 LEU A 4 -2.125 4.972 4.610 1.00 0.00 H ATOM 85 HD23 LEU A 4 -0.795 3.815 4.550 1.00 0.00 H ATOM 86 N HIS A 5 0.182 2.036 -0.486 1.00 0.00 N ATOM 87 CA HIS A 5 -0.212 1.575 -1.845 1.00 0.00 C ATOM 88 C HIS A 5 -0.389 0.048 -1.881 1.00 0.00 C ATOM 89 O HIS A 5 -1.198 -0.469 -2.670 1.00 0.00 O ATOM 90 CB HIS A 5 0.844 1.989 -2.871 1.00 0.00 C ATOM 91 CG HIS A 5 0.848 3.458 -3.163 1.00 0.00 C ATOM 92 ND1 HIS A 5 1.077 4.414 -2.196 1.00 0.00 N ATOM 93 CD2 HIS A 5 0.646 4.138 -4.320 1.00 0.00 C ATOM 94 CE1 HIS A 5 1.014 5.616 -2.743 1.00 0.00 C ATOM 95 NE2 HIS A 5 0.755 5.475 -4.029 1.00 0.00 N ATOM 96 H HIS A 5 0.983 2.604 -0.411 1.00 0.00 H ATOM 97 HA HIS A 5 -1.147 2.054 -2.105 1.00 0.00 H ATOM 98 HB2 HIS A 5 1.821 1.723 -2.497 1.00 0.00 H ATOM 99 HB3 HIS A 5 0.660 1.464 -3.796 1.00 0.00 H ATOM 100 HD1 HIS A 5 1.259 4.237 -1.250 1.00 0.00 H ATOM 101 HD2 HIS A 5 0.435 3.709 -5.291 1.00 0.00 H ATOM 102 HE1 HIS A 5 1.153 6.554 -2.226 1.00 0.00 H ATOM 103 HE2 HIS A 5 0.710 6.206 -4.681 1.00 0.00 H ATOM 104 N GLN A 6 0.428 -0.640 -1.010 1.00 0.00 N ATOM 105 CA GLN A 6 0.462 -2.117 -0.884 1.00 0.00 C ATOM 106 C GLN A 6 -0.789 -2.740 -0.245 1.00 0.00 C ATOM 107 O GLN A 6 -1.435 -3.569 -0.909 1.00 0.00 O ATOM 108 CB GLN A 6 1.710 -2.587 -0.117 1.00 0.00 C ATOM 109 CG GLN A 6 2.968 -2.753 -0.976 1.00 0.00 C ATOM 110 CD GLN A 6 2.893 -3.933 -1.930 1.00 0.00 C ATOM 111 OE1 GLN A 6 2.002 -4.005 -2.776 1.00 0.00 O ATOM 112 NE2 GLN A 6 3.832 -4.860 -1.802 1.00 0.00 N ATOM 113 H GLN A 6 1.048 -0.111 -0.465 1.00 0.00 H ATOM 114 HA GLN A 6 0.536 -2.505 -1.890 1.00 0.00 H ATOM 115 HB2 GLN A 6 1.929 -1.876 0.660 1.00 0.00 H ATOM 116 HB3 GLN A 6 1.490 -3.539 0.341 1.00 0.00 H ATOM 117 HG2 GLN A 6 3.117 -1.860 -1.557 1.00 0.00 H ATOM 118 HG3 GLN A 6 3.814 -2.896 -0.321 1.00 0.00 H ATOM 119 HE21 GLN A 6 4.515 -4.738 -1.110 1.00 0.00 H ATOM 120 HE22 GLN A 6 3.804 -5.629 -2.404 1.00 0.00 H HETATM 121 C MK8 A 7 -3.580 -2.948 0.972 1.00 0.00 C HETATM 122 N MK8 A 7 -1.108 -2.387 1.075 1.00 0.00 N HETATM 123 O MK8 A 7 -4.535 -3.723 1.215 1.00 0.00 O HETATM 124 CA MK8 A 7 -2.273 -2.967 1.845 1.00 0.00 C HETATM 125 CB MK8 A 7 -2.598 -2.192 3.173 1.00 0.00 C HETATM 126 CD MK8 A 7 -0.252 -1.935 4.298 1.00 0.00 C HETATM 127 CE MK8 A 7 0.199 -1.705 5.773 1.00 0.00 C HETATM 128 CG MK8 A 7 -1.538 -1.250 3.813 1.00 0.00 C HETATM 129 CB1 MK8 A 7 -1.879 -4.388 2.283 1.00 0.00 C HETATM 130 HN MK8 A 7 -0.533 -1.754 1.556 1.00 0.00 H HETATM 131 HB MK8 A 7 -2.859 -2.932 3.918 1.00 0.00 H HETATM 132 HBA MK8 A 7 -3.475 -1.591 2.996 1.00 0.00 H HETATM 133 HD MK8 A 7 0.551 -1.602 3.651 1.00 0.00 H HETATM 134 HDA MK8 A 7 -0.373 -2.993 4.157 1.00 0.00 H HETATM 135 HE MK8 A 7 -0.291 -2.314 6.515 1.00 0.00 H HETATM 136 HG MK8 A 7 -2.004 -0.771 4.663 1.00 0.00 H HETATM 137 HGA MK8 A 7 -1.272 -0.502 3.100 1.00 0.00 H HETATM 138 HB1 MK8 A 7 -2.323 -5.106 1.613 1.00 0.00 H HETATM 139 HB1A MK8 A 7 -2.233 -4.564 3.289 1.00 0.00 H HETATM 140 HB1B MK8 A 7 -0.804 -4.485 2.259 1.00 0.00 H ATOM 141 N LEU A 8 -3.600 -1.984 -0.020 1.00 0.00 N ATOM 142 CA LEU A 8 -4.743 -1.743 -0.944 1.00 0.00 C ATOM 143 C LEU A 8 -5.041 -2.932 -1.871 1.00 0.00 C ATOM 144 O LEU A 8 -6.229 -3.227 -2.107 1.00 0.00 O ATOM 145 CB LEU A 8 -4.497 -0.463 -1.819 1.00 0.00 C ATOM 146 CG LEU A 8 -5.699 0.488 -2.221 1.00 0.00 C ATOM 147 CD1 LEU A 8 -6.836 -0.188 -3.017 1.00 0.00 C ATOM 148 CD2 LEU A 8 -6.263 1.238 -1.011 1.00 0.00 C ATOM 149 H LEU A 8 -2.823 -1.400 -0.099 1.00 0.00 H ATOM 150 HA LEU A 8 -5.616 -1.570 -0.332 1.00 0.00 H ATOM 151 HB2 LEU A 8 -3.785 0.149 -1.291 1.00 0.00 H ATOM 152 HB3 LEU A 8 -4.027 -0.792 -2.735 1.00 0.00 H ATOM 153 HG LEU A 8 -5.293 1.243 -2.879 1.00 0.00 H ATOM 154 HD11 LEU A 8 -6.900 0.252 -4.001 1.00 0.00 H ATOM 155 HD12 LEU A 8 -7.772 -0.046 -2.498 1.00 0.00 H ATOM 156 HD13 LEU A 8 -6.632 -1.245 -3.107 1.00 0.00 H ATOM 157 HD21 LEU A 8 -7.264 0.890 -0.806 1.00 0.00 H ATOM 158 HD22 LEU A 8 -6.286 2.296 -1.224 1.00 0.00 H ATOM 159 HD23 LEU A 8 -5.635 1.057 -0.151 1.00 0.00 H ATOM 160 N GLN A 9 -3.942 -3.573 -2.420 1.00 0.00 N ATOM 161 CA GLN A 9 -4.035 -4.710 -3.376 1.00 0.00 C ATOM 162 C GLN A 9 -4.284 -6.054 -2.686 1.00 0.00 C ATOM 163 O GLN A 9 -5.060 -6.868 -3.225 1.00 0.00 O ATOM 164 CB GLN A 9 -2.768 -4.804 -4.252 1.00 0.00 C ATOM 165 CG GLN A 9 -2.614 -3.686 -5.284 1.00 0.00 C ATOM 166 CD GLN A 9 -3.630 -3.759 -6.418 1.00 0.00 C ATOM 167 OE1 GLN A 9 -4.837 -3.774 -6.183 1.00 0.00 O ATOM 168 NE2 GLN A 9 -3.139 -3.793 -7.655 1.00 0.00 N ATOM 169 H GLN A 9 -3.053 -3.238 -2.189 1.00 0.00 H ATOM 170 HA GLN A 9 -4.876 -4.511 -4.022 1.00 0.00 H ATOM 171 HB2 GLN A 9 -1.900 -4.783 -3.613 1.00 0.00 H ATOM 172 HB3 GLN A 9 -2.784 -5.747 -4.780 1.00 0.00 H ATOM 173 HG2 GLN A 9 -2.727 -2.737 -4.786 1.00 0.00 H ATOM 174 HG3 GLN A 9 -1.622 -3.748 -5.710 1.00 0.00 H ATOM 175 HE21 GLN A 9 -2.165 -3.770 -7.768 1.00 0.00 H ATOM 176 HE22 GLN A 9 -3.771 -3.838 -8.405 1.00 0.00 H ATOM 177 N ASP A 10 -3.613 -6.266 -1.496 1.00 0.00 N ATOM 178 CA ASP A 10 -3.726 -7.506 -0.690 1.00 0.00 C ATOM 179 C ASP A 10 -5.131 -7.626 -0.080 1.00 0.00 C ATOM 180 O ASP A 10 -5.708 -8.730 -0.082 1.00 0.00 O ATOM 181 CB ASP A 10 -2.631 -7.542 0.401 1.00 0.00 C ATOM 182 CG ASP A 10 -2.647 -8.811 1.244 1.00 0.00 C ATOM 183 OD1 ASP A 10 -2.495 -9.907 0.669 1.00 0.00 O ATOM 184 OD2 ASP A 10 -2.815 -8.702 2.476 1.00 0.00 O ATOM 185 H ASP A 10 -3.030 -5.554 -1.166 1.00 0.00 H ATOM 186 HA ASP A 10 -3.576 -8.342 -1.362 1.00 0.00 H ATOM 187 HB2 ASP A 10 -1.661 -7.476 -0.072 1.00 0.00 H ATOM 188 HB3 ASP A 10 -2.758 -6.696 1.056 1.00 0.00 H ATOM 189 N SER A 11 -5.648 -6.461 0.441 1.00 0.00 N ATOM 190 CA SER A 11 -6.978 -6.347 1.080 1.00 0.00 C ATOM 191 C SER A 11 -8.083 -6.169 0.025 1.00 0.00 C ATOM 192 O SER A 11 -9.250 -5.956 0.361 1.00 0.00 O ATOM 193 CB SER A 11 -6.967 -5.176 2.083 1.00 0.00 C ATOM 194 OG SER A 11 -5.816 -5.235 2.910 1.00 0.00 O ATOM 195 H SER A 11 -5.097 -5.655 0.386 1.00 0.00 H ATOM 196 HA SER A 11 -7.165 -7.267 1.620 1.00 0.00 H ATOM 197 HB2 SER A 11 -6.956 -4.238 1.547 1.00 0.00 H ATOM 198 HB3 SER A 11 -7.845 -5.220 2.715 1.00 0.00 H ATOM 199 HG SER A 11 -5.984 -5.819 3.653 1.00 0.00 H HETATM 200 N NH2 A 12 -7.735 -6.349 -1.255 1.00 0.00 N HETATM 201 HN1 NH2 A 12 -6.804 -6.577 -1.457 1.00 0.00 H HETATM 202 HN2 NH2 A 12 -8.431 -6.257 -1.945 1.00 0.00 H TER 203 NH2 A 12