HETATM 1 C ACE A 0 5.080 5.366 3.451 1.00 0.00 C HETATM 2 O ACE A 0 4.040 4.833 3.883 1.00 0.00 O HETATM 3 CH3 ACE A 0 6.368 5.231 4.238 1.00 0.00 C HETATM 4 H1 ACE A 0 6.540 6.136 4.802 1.00 0.00 H HETATM 5 H2 ACE A 0 7.191 5.069 3.557 1.00 0.00 H HETATM 6 H3 ACE A 0 6.291 4.394 4.915 1.00 0.00 H ATOM 7 N HIS A 1 5.175 6.101 2.288 1.00 0.00 N ATOM 8 CA HIS A 1 4.044 6.365 1.377 1.00 0.00 C ATOM 9 C HIS A 1 3.723 5.129 0.521 1.00 0.00 C ATOM 10 O HIS A 1 2.555 4.941 0.136 1.00 0.00 O ATOM 11 CB HIS A 1 4.361 7.575 0.479 1.00 0.00 C ATOM 12 CG HIS A 1 3.150 8.221 -0.135 1.00 0.00 C ATOM 13 ND1 HIS A 1 2.259 7.537 -0.936 1.00 0.00 N ATOM 14 CD2 HIS A 1 2.686 9.492 -0.062 1.00 0.00 C ATOM 15 CE1 HIS A 1 1.302 8.359 -1.328 1.00 0.00 C ATOM 16 NE2 HIS A 1 1.537 9.551 -0.811 1.00 0.00 N ATOM 17 H HIS A 1 6.049 6.480 2.058 1.00 0.00 H ATOM 18 HA HIS A 1 3.184 6.600 1.985 1.00 0.00 H ATOM 19 HB2 HIS A 1 4.873 8.324 1.065 1.00 0.00 H ATOM 20 HB3 HIS A 1 5.007 7.259 -0.326 1.00 0.00 H ATOM 21 HD1 HIS A 1 2.321 6.591 -1.182 1.00 0.00 H ATOM 22 HD2 HIS A 1 3.137 10.310 0.483 1.00 0.00 H ATOM 23 HE1 HIS A 1 0.466 8.099 -1.962 1.00 0.00 H ATOM 24 HE2 HIS A 1 0.906 10.301 -0.822 1.00 0.00 H ATOM 25 N LYS A 2 4.797 4.309 0.231 1.00 0.00 N ATOM 26 CA LYS A 2 4.703 3.073 -0.593 1.00 0.00 C ATOM 27 C LYS A 2 3.955 1.939 0.122 1.00 0.00 C ATOM 28 O LYS A 2 3.192 1.194 -0.523 1.00 0.00 O ATOM 29 CB LYS A 2 6.094 2.571 -1.026 1.00 0.00 C ATOM 30 CG LYS A 2 6.819 3.480 -2.014 1.00 0.00 C ATOM 31 CD LYS A 2 8.205 2.941 -2.347 1.00 0.00 C ATOM 32 CE LYS A 2 8.970 3.865 -3.290 1.00 0.00 C ATOM 33 NZ LYS A 2 8.278 4.038 -4.599 1.00 0.00 N ATOM 34 H LYS A 2 5.674 4.565 0.584 1.00 0.00 H ATOM 35 HA LYS A 2 4.146 3.332 -1.481 1.00 0.00 H ATOM 36 HB2 LYS A 2 6.718 2.456 -0.155 1.00 0.00 H ATOM 37 HB3 LYS A 2 5.976 1.605 -1.493 1.00 0.00 H ATOM 38 HG2 LYS A 2 6.240 3.538 -2.924 1.00 0.00 H ATOM 39 HG3 LYS A 2 6.920 4.464 -1.586 1.00 0.00 H ATOM 40 HD2 LYS A 2 8.768 2.839 -1.431 1.00 0.00 H ATOM 41 HD3 LYS A 2 8.100 1.973 -2.814 1.00 0.00 H ATOM 42 HE2 LYS A 2 9.079 4.832 -2.821 1.00 0.00 H ATOM 43 HE3 LYS A 2 9.950 3.443 -3.466 1.00 0.00 H ATOM 44 HZ1 LYS A 2 7.247 4.044 -4.461 1.00 0.00 H ATOM 45 HZ2 LYS A 2 8.526 3.258 -5.240 1.00 0.00 H ATOM 46 HZ3 LYS A 2 8.564 4.936 -5.038 1.00 0.00 H HETATM 47 C MK8 A 3 2.001 0.652 2.065 1.00 0.00 C HETATM 48 N MK8 A 3 4.193 1.783 1.492 1.00 0.00 N HETATM 49 O MK8 A 3 1.455 -0.339 1.531 1.00 0.00 O HETATM 50 CA MK8 A 3 3.572 0.706 2.353 1.00 0.00 C HETATM 51 CB MK8 A 3 3.857 1.057 3.881 1.00 0.00 C HETATM 52 CD MK8 A 3 1.689 0.496 5.230 1.00 0.00 C HETATM 53 CE MK8 A 3 0.896 -0.321 6.296 1.00 0.00 C HETATM 54 CG MK8 A 3 3.180 0.204 5.022 1.00 0.00 C HETATM 55 CB1 MK8 A 3 4.334 -0.621 2.007 1.00 0.00 C HETATM 56 HN MK8 A 3 4.818 2.400 1.924 1.00 0.00 H HETATM 57 HB MK8 A 3 3.569 2.088 4.034 1.00 0.00 H HETATM 58 HBA MK8 A 3 4.922 0.990 4.035 1.00 0.00 H HETATM 59 HD MK8 A 3 1.205 0.338 4.275 1.00 0.00 H HETATM 60 HDA MK8 A 3 1.587 1.539 5.479 1.00 0.00 H HETATM 61 HE MK8 A 3 1.046 -0.038 7.327 1.00 0.00 H HETATM 62 HG MK8 A 3 3.704 0.401 5.946 1.00 0.00 H HETATM 63 HGA MK8 A 3 3.286 -0.840 4.778 1.00 0.00 H HETATM 64 HB1 MK8 A 3 4.969 -0.899 2.837 1.00 0.00 H HETATM 65 HB1A MK8 A 3 4.942 -0.469 1.127 1.00 0.00 H HETATM 66 HB1B MK8 A 3 3.620 -1.410 1.817 1.00 0.00 H ATOM 67 N LEU A 4 1.294 1.771 2.506 1.00 0.00 N ATOM 68 CA LEU A 4 -0.177 1.939 2.409 1.00 0.00 C ATOM 69 C LEU A 4 -0.721 1.647 1.009 1.00 0.00 C ATOM 70 O LEU A 4 -1.946 1.443 0.879 1.00 0.00 O ATOM 71 CB LEU A 4 -0.610 3.346 2.883 1.00 0.00 C ATOM 72 CG LEU A 4 -2.121 3.555 3.194 1.00 0.00 C ATOM 73 CD1 LEU A 4 -2.524 2.973 4.556 1.00 0.00 C ATOM 74 CD2 LEU A 4 -2.465 5.035 3.146 1.00 0.00 C ATOM 75 H LEU A 4 1.804 2.480 2.952 1.00 0.00 H ATOM 76 HA LEU A 4 -0.609 1.215 3.085 1.00 0.00 H ATOM 77 HB2 LEU A 4 -0.055 3.578 3.779 1.00 0.00 H ATOM 78 HB3 LEU A 4 -0.329 4.054 2.117 1.00 0.00 H ATOM 79 HG LEU A 4 -2.710 3.057 2.439 1.00 0.00 H ATOM 80 HD11 LEU A 4 -1.879 3.371 5.324 1.00 0.00 H ATOM 81 HD12 LEU A 4 -2.430 1.897 4.529 1.00 0.00 H ATOM 82 HD13 LEU A 4 -3.549 3.238 4.771 1.00 0.00 H ATOM 83 HD21 LEU A 4 -2.056 5.527 4.017 1.00 0.00 H ATOM 84 HD22 LEU A 4 -3.538 5.156 3.136 1.00 0.00 H ATOM 85 HD23 LEU A 4 -2.044 5.474 2.254 1.00 0.00 H ATOM 86 N HIS A 5 0.206 1.616 -0.018 1.00 0.00 N ATOM 87 CA HIS A 5 -0.141 1.331 -1.431 1.00 0.00 C ATOM 88 C HIS A 5 -0.323 -0.183 -1.611 1.00 0.00 C ATOM 89 O HIS A 5 -1.315 -0.614 -2.225 1.00 0.00 O ATOM 90 CB HIS A 5 0.928 1.908 -2.381 1.00 0.00 C ATOM 91 CG HIS A 5 0.502 1.999 -3.823 1.00 0.00 C ATOM 92 ND1 HIS A 5 0.119 0.902 -4.567 1.00 0.00 N ATOM 93 CD2 HIS A 5 0.405 3.067 -4.657 1.00 0.00 C ATOM 94 CE1 HIS A 5 -0.193 1.290 -5.793 1.00 0.00 C ATOM 95 NE2 HIS A 5 -0.029 2.596 -5.871 1.00 0.00 N ATOM 96 H HIS A 5 1.146 1.779 0.202 1.00 0.00 H ATOM 97 HA HIS A 5 -1.089 1.810 -1.632 1.00 0.00 H ATOM 98 HB2 HIS A 5 1.179 2.909 -2.056 1.00 0.00 H ATOM 99 HB3 HIS A 5 1.812 1.292 -2.335 1.00 0.00 H ATOM 100 HD1 HIS A 5 0.082 -0.023 -4.245 1.00 0.00 H ATOM 101 HD2 HIS A 5 0.633 4.096 -4.415 1.00 0.00 H ATOM 102 HE1 HIS A 5 -0.520 0.646 -6.595 1.00 0.00 H ATOM 103 HE2 HIS A 5 -0.266 3.149 -6.645 1.00 0.00 H ATOM 104 N GLN A 6 0.655 -0.964 -1.033 1.00 0.00 N ATOM 105 CA GLN A 6 0.663 -2.451 -1.061 1.00 0.00 C ATOM 106 C GLN A 6 -0.545 -3.037 -0.311 1.00 0.00 C ATOM 107 O GLN A 6 -1.118 -4.045 -0.745 1.00 0.00 O ATOM 108 CB GLN A 6 1.953 -3.012 -0.424 1.00 0.00 C ATOM 109 CG GLN A 6 3.141 -3.150 -1.372 1.00 0.00 C ATOM 110 CD GLN A 6 4.345 -3.791 -0.704 1.00 0.00 C ATOM 111 OE1 GLN A 6 4.860 -3.279 0.289 1.00 0.00 O ATOM 112 NE2 GLN A 6 4.810 -4.909 -1.252 1.00 0.00 N ATOM 113 H GLN A 6 1.386 -0.502 -0.571 1.00 0.00 H ATOM 114 HA GLN A 6 0.613 -2.763 -2.094 1.00 0.00 H ATOM 115 HB2 GLN A 6 2.252 -2.364 0.384 1.00 0.00 H ATOM 116 HB3 GLN A 6 1.734 -3.987 -0.016 1.00 0.00 H ATOM 117 HG2 GLN A 6 2.849 -3.757 -2.211 1.00 0.00 H ATOM 118 HG3 GLN A 6 3.433 -2.175 -1.720 1.00 0.00 H ATOM 119 HE21 GLN A 6 4.359 -5.259 -2.048 1.00 0.00 H ATOM 120 HE22 GLN A 6 5.588 -5.336 -0.838 1.00 0.00 H HETATM 121 C MK8 A 7 -3.360 -2.772 0.929 1.00 0.00 C HETATM 122 N MK8 A 7 -0.903 -2.380 0.848 1.00 0.00 N HETATM 123 O MK8 A 7 -4.331 -3.528 1.213 1.00 0.00 O HETATM 124 CA MK8 A 7 -2.026 -2.774 1.759 1.00 0.00 C HETATM 125 CB MK8 A 7 -2.197 -1.696 2.889 1.00 0.00 C HETATM 126 CD MK8 A 7 -0.416 -2.013 4.707 1.00 0.00 C HETATM 127 CE MK8 A 7 0.013 -1.371 6.072 1.00 0.00 C HETATM 128 CG MK8 A 7 -0.923 -1.121 3.577 1.00 0.00 C HETATM 129 CB1 MK8 A 7 -1.739 -4.150 2.438 1.00 0.00 C HETATM 130 HN MK8 A 7 -0.389 -1.600 1.093 1.00 0.00 H HETATM 131 HB MK8 A 7 -2.816 -2.129 3.660 1.00 0.00 H HETATM 132 HBA MK8 A 7 -2.726 -0.858 2.468 1.00 0.00 H HETATM 133 HD MK8 A 7 0.430 -2.571 4.324 1.00 0.00 H HETATM 134 HDA MK8 A 7 -1.199 -2.713 4.931 1.00 0.00 H HETATM 135 HE MK8 A 7 -0.434 -1.803 6.954 1.00 0.00 H HETATM 136 HG MK8 A 7 -1.146 -0.140 3.975 1.00 0.00 H HETATM 137 HGA MK8 A 7 -0.148 -1.033 2.841 1.00 0.00 H HETATM 138 HB1 MK8 A 7 -1.221 -3.983 3.371 1.00 0.00 H HETATM 139 HB1A MK8 A 7 -1.125 -4.754 1.789 1.00 0.00 H HETATM 140 HB1B MK8 A 7 -2.672 -4.659 2.629 1.00 0.00 H ATOM 141 N LEU A 8 -3.392 -1.824 -0.074 1.00 0.00 N ATOM 142 CA LEU A 8 -4.554 -1.571 -0.965 1.00 0.00 C ATOM 143 C LEU A 8 -4.913 -2.756 -1.874 1.00 0.00 C ATOM 144 O LEU A 8 -6.117 -2.992 -2.100 1.00 0.00 O ATOM 145 CB LEU A 8 -4.301 -0.297 -1.846 1.00 0.00 C ATOM 146 CG LEU A 8 -5.511 0.601 -2.340 1.00 0.00 C ATOM 147 CD1 LEU A 8 -6.559 -0.132 -3.205 1.00 0.00 C ATOM 148 CD2 LEU A 8 -6.195 1.335 -1.180 1.00 0.00 C ATOM 149 H LEU A 8 -2.605 -1.249 -0.179 1.00 0.00 H ATOM 150 HA LEU A 8 -5.400 -1.373 -0.327 1.00 0.00 H ATOM 151 HB2 LEU A 8 -3.647 0.350 -1.285 1.00 0.00 H ATOM 152 HB3 LEU A 8 -3.760 -0.620 -2.725 1.00 0.00 H ATOM 153 HG LEU A 8 -5.092 1.367 -2.977 1.00 0.00 H ATOM 154 HD11 LEU A 8 -7.425 0.502 -3.334 1.00 0.00 H ATOM 155 HD12 LEU A 8 -6.854 -1.047 -2.715 1.00 0.00 H ATOM 156 HD13 LEU A 8 -6.133 -0.361 -4.171 1.00 0.00 H ATOM 157 HD21 LEU A 8 -5.477 1.510 -0.391 1.00 0.00 H ATOM 158 HD22 LEU A 8 -7.007 0.733 -0.801 1.00 0.00 H ATOM 159 HD23 LEU A 8 -6.581 2.281 -1.531 1.00 0.00 H ATOM 160 N GLN A 9 -3.851 -3.457 -2.423 1.00 0.00 N ATOM 161 CA GLN A 9 -4.010 -4.595 -3.370 1.00 0.00 C ATOM 162 C GLN A 9 -4.318 -5.931 -2.690 1.00 0.00 C ATOM 163 O GLN A 9 -5.144 -6.695 -3.232 1.00 0.00 O ATOM 164 CB GLN A 9 -2.770 -4.736 -4.274 1.00 0.00 C ATOM 165 CG GLN A 9 -2.651 -3.662 -5.360 1.00 0.00 C ATOM 166 CD GLN A 9 -3.710 -3.770 -6.453 1.00 0.00 C ATOM 167 OE1 GLN A 9 -4.908 -3.762 -6.173 1.00 0.00 O ATOM 168 NE2 GLN A 9 -3.267 -3.864 -7.704 1.00 0.00 N ATOM 169 H GLN A 9 -2.943 -3.162 -2.201 1.00 0.00 H ATOM 170 HA GLN A 9 -4.850 -4.354 -4.002 1.00 0.00 H ATOM 171 HB2 GLN A 9 -1.883 -4.683 -3.661 1.00 0.00 H ATOM 172 HB3 GLN A 9 -2.800 -5.702 -4.758 1.00 0.00 H ATOM 173 HG2 GLN A 9 -2.740 -2.694 -4.895 1.00 0.00 H ATOM 174 HG3 GLN A 9 -1.676 -3.748 -5.819 1.00 0.00 H ATOM 175 HE21 GLN A 9 -2.298 -3.860 -7.854 1.00 0.00 H ATOM 176 HE22 GLN A 9 -3.927 -3.929 -8.427 1.00 0.00 H ATOM 177 N ASP A 10 -3.641 -6.199 -1.514 1.00 0.00 N ATOM 178 CA ASP A 10 -3.811 -7.449 -0.730 1.00 0.00 C ATOM 179 C ASP A 10 -5.208 -7.515 -0.097 1.00 0.00 C ATOM 180 O ASP A 10 -5.801 -8.609 -0.037 1.00 0.00 O ATOM 181 CB ASP A 10 -2.707 -7.573 0.339 1.00 0.00 C ATOM 182 CG ASP A 10 -2.748 -8.896 1.089 1.00 0.00 C ATOM 183 OD1 ASP A 10 -3.786 -9.190 1.716 1.00 0.00 O ATOM 184 OD2 ASP A 10 -1.743 -9.634 1.045 1.00 0.00 O ATOM 185 H ASP A 10 -3.011 -5.525 -1.180 1.00 0.00 H ATOM 186 HA ASP A 10 -3.717 -8.275 -1.422 1.00 0.00 H ATOM 187 HB2 ASP A 10 -1.741 -7.495 -0.139 1.00 0.00 H ATOM 188 HB3 ASP A 10 -2.811 -6.772 1.053 1.00 0.00 H ATOM 189 N SER A 11 -5.697 -6.319 0.380 1.00 0.00 N ATOM 190 CA SER A 11 -7.014 -6.157 1.039 1.00 0.00 C ATOM 191 C SER A 11 -8.153 -6.008 0.012 1.00 0.00 C ATOM 192 O SER A 11 -9.308 -5.794 0.387 1.00 0.00 O ATOM 193 CB SER A 11 -6.963 -4.947 1.991 1.00 0.00 C ATOM 194 OG SER A 11 -5.801 -4.995 2.800 1.00 0.00 O ATOM 195 H SER A 11 -5.131 -5.525 0.285 1.00 0.00 H ATOM 196 HA SER A 11 -7.199 -7.049 1.624 1.00 0.00 H ATOM 197 HB2 SER A 11 -6.949 -4.032 1.420 1.00 0.00 H ATOM 198 HB3 SER A 11 -7.829 -4.955 2.640 1.00 0.00 H ATOM 199 HG SER A 11 -6.012 -5.408 3.639 1.00 0.00 H HETATM 200 N NH2 A 12 -7.877 -6.340 -1.252 1.00 0.00 N HETATM 201 HN1 NH2 A 12 -6.976 -6.653 -1.466 1.00 0.00 H HETATM 202 HN2 NH2 A 12 -8.596 -6.267 -1.920 1.00 0.00 H TER 203 NH2 A 12