HETATM 1 C ACE A 0 5.139 5.539 3.380 1.00 0.00 C HETATM 2 O ACE A 0 4.030 5.126 3.774 1.00 0.00 O HETATM 3 CH3 ACE A 0 6.354 5.362 4.266 1.00 0.00 C HETATM 4 H1 ACE A 0 7.076 4.735 3.763 1.00 0.00 H HETATM 5 H2 ACE A 0 6.058 4.897 5.194 1.00 0.00 H HETATM 6 H3 ACE A 0 6.794 6.326 4.469 1.00 0.00 H ATOM 7 N HIS A 1 5.375 6.166 2.177 1.00 0.00 N ATOM 8 CA HIS A 1 4.335 6.443 1.166 1.00 0.00 C ATOM 9 C HIS A 1 3.957 5.183 0.369 1.00 0.00 C ATOM 10 O HIS A 1 2.793 5.061 -0.053 1.00 0.00 O ATOM 11 CB HIS A 1 4.788 7.564 0.213 1.00 0.00 C ATOM 12 CG HIS A 1 4.696 8.937 0.813 1.00 0.00 C ATOM 13 ND1 HIS A 1 3.610 9.360 1.553 1.00 0.00 N ATOM 14 CD2 HIS A 1 5.545 9.997 0.760 1.00 0.00 C ATOM 15 CE1 HIS A 1 3.794 10.614 1.927 1.00 0.00 C ATOM 16 NE2 HIS A 1 4.959 11.022 1.460 1.00 0.00 N ATOM 17 H HIS A 1 6.293 6.451 1.985 1.00 0.00 H ATOM 18 HA HIS A 1 3.459 6.786 1.698 1.00 0.00 H ATOM 19 HB2 HIS A 1 5.816 7.399 -0.067 1.00 0.00 H ATOM 20 HB3 HIS A 1 4.174 7.547 -0.674 1.00 0.00 H ATOM 21 HD1 HIS A 1 2.822 8.820 1.771 1.00 0.00 H ATOM 22 HD2 HIS A 1 6.496 10.036 0.245 1.00 0.00 H ATOM 23 HE1 HIS A 1 3.107 11.205 2.516 1.00 0.00 H ATOM 24 HE2 HIS A 1 5.374 11.888 1.657 1.00 0.00 H ATOM 25 N LYS A 2 4.972 4.264 0.165 1.00 0.00 N ATOM 26 CA LYS A 2 4.809 2.992 -0.595 1.00 0.00 C ATOM 27 C LYS A 2 3.963 1.929 0.134 1.00 0.00 C ATOM 28 O LYS A 2 3.128 1.257 -0.504 1.00 0.00 O ATOM 29 CB LYS A 2 6.171 2.386 -0.981 1.00 0.00 C ATOM 30 CG LYS A 2 6.912 3.149 -2.074 1.00 0.00 C ATOM 31 CD LYS A 2 8.206 2.443 -2.461 1.00 0.00 C ATOM 32 CE LYS A 2 8.974 3.199 -3.543 1.00 0.00 C ATOM 33 NZ LYS A 2 8.189 3.336 -4.804 1.00 0.00 N ATOM 34 H LYS A 2 5.854 4.471 0.536 1.00 0.00 H ATOM 35 HA LYS A 2 4.291 3.246 -1.508 1.00 0.00 H ATOM 36 HB2 LYS A 2 6.803 2.347 -0.109 1.00 0.00 H ATOM 37 HB3 LYS A 2 6.008 1.378 -1.331 1.00 0.00 H ATOM 38 HG2 LYS A 2 6.277 3.217 -2.946 1.00 0.00 H ATOM 39 HG3 LYS A 2 7.148 4.140 -1.721 1.00 0.00 H ATOM 40 HD2 LYS A 2 8.832 2.361 -1.586 1.00 0.00 H ATOM 41 HD3 LYS A 2 7.967 1.455 -2.826 1.00 0.00 H ATOM 42 HE2 LYS A 2 9.220 4.184 -3.175 1.00 0.00 H ATOM 43 HE3 LYS A 2 9.887 2.660 -3.756 1.00 0.00 H ATOM 44 HZ1 LYS A 2 8.831 3.373 -5.622 1.00 0.00 H ATOM 45 HZ2 LYS A 2 7.625 4.209 -4.781 1.00 0.00 H ATOM 46 HZ3 LYS A 2 7.548 2.525 -4.916 1.00 0.00 H HETATM 47 C MK8 A 3 1.945 0.688 2.036 1.00 0.00 C HETATM 48 N MK8 A 3 4.205 1.732 1.497 1.00 0.00 N HETATM 49 O MK8 A 3 1.358 -0.333 1.607 1.00 0.00 O HETATM 50 CA MK8 A 3 3.506 0.696 2.355 1.00 0.00 C HETATM 51 CB MK8 A 3 3.729 1.070 3.886 1.00 0.00 C HETATM 52 CD MK8 A 3 1.563 0.320 5.177 1.00 0.00 C HETATM 53 CE MK8 A 3 0.911 -0.208 6.474 1.00 0.00 C HETATM 54 CG MK8 A 3 3.084 0.192 5.033 1.00 0.00 C HETATM 55 CB1 MK8 A 3 4.240 -0.653 2.032 1.00 0.00 C HETATM 56 HN MK8 A 3 4.899 2.272 1.923 1.00 0.00 H HETATM 57 HB MK8 A 3 3.371 2.082 4.023 1.00 0.00 H HETATM 58 HBA MK8 A 3 4.790 1.075 4.065 1.00 0.00 H HETATM 59 HD MK8 A 3 1.120 -0.219 4.347 1.00 0.00 H HETATM 60 HDA MK8 A 3 1.300 1.359 5.073 1.00 0.00 H HETATM 61 HE MK8 A 3 1.490 -0.101 7.378 1.00 0.00 H HETATM 62 HG MK8 A 3 3.544 0.470 5.971 1.00 0.00 H HETATM 63 HGA MK8 A 3 3.309 -0.842 4.831 1.00 0.00 H HETATM 64 HB1 MK8 A 3 3.757 -1.460 2.564 1.00 0.00 H HETATM 65 HB1A MK8 A 3 5.272 -0.587 2.342 1.00 0.00 H HETATM 66 HB1B MK8 A 3 4.195 -0.845 0.969 1.00 0.00 H ATOM 67 N LEU A 4 1.290 1.886 2.325 1.00 0.00 N ATOM 68 CA LEU A 4 -0.174 2.106 2.169 1.00 0.00 C ATOM 69 C LEU A 4 -0.699 1.634 0.810 1.00 0.00 C ATOM 70 O LEU A 4 -1.864 1.188 0.740 1.00 0.00 O ATOM 71 CB LEU A 4 -0.555 3.580 2.434 1.00 0.00 C ATOM 72 CG LEU A 4 -2.059 3.868 2.682 1.00 0.00 C ATOM 73 CD1 LEU A 4 -2.478 3.543 4.122 1.00 0.00 C ATOM 74 CD2 LEU A 4 -2.379 5.318 2.353 1.00 0.00 C ATOM 75 H LEU A 4 1.826 2.620 2.693 1.00 0.00 H ATOM 76 HA LEU A 4 -0.649 1.502 2.924 1.00 0.00 H ATOM 77 HB2 LEU A 4 -0.008 3.913 3.303 1.00 0.00 H ATOM 78 HB3 LEU A 4 -0.237 4.166 1.586 1.00 0.00 H ATOM 79 HG LEU A 4 -2.646 3.245 2.024 1.00 0.00 H ATOM 80 HD11 LEU A 4 -2.172 2.534 4.367 1.00 0.00 H ATOM 81 HD12 LEU A 4 -3.550 3.624 4.213 1.00 0.00 H ATOM 82 HD13 LEU A 4 -2.004 4.236 4.800 1.00 0.00 H ATOM 83 HD21 LEU A 4 -1.518 5.783 1.896 1.00 0.00 H ATOM 84 HD22 LEU A 4 -2.634 5.845 3.260 1.00 0.00 H ATOM 85 HD23 LEU A 4 -3.213 5.355 1.668 1.00 0.00 H ATOM 86 N HIS A 5 0.194 1.710 -0.244 1.00 0.00 N ATOM 87 CA HIS A 5 -0.119 1.265 -1.617 1.00 0.00 C ATOM 88 C HIS A 5 -0.327 -0.249 -1.615 1.00 0.00 C ATOM 89 O HIS A 5 -1.278 -0.751 -2.239 1.00 0.00 O ATOM 90 CB HIS A 5 0.997 1.667 -2.587 1.00 0.00 C ATOM 91 CG HIS A 5 0.788 3.019 -3.207 1.00 0.00 C ATOM 92 ND1 HIS A 5 0.591 4.167 -2.467 1.00 0.00 N ATOM 93 CD2 HIS A 5 0.729 3.401 -4.508 1.00 0.00 C ATOM 94 CE1 HIS A 5 0.415 5.192 -3.286 1.00 0.00 C ATOM 95 NE2 HIS A 5 0.497 4.754 -4.528 1.00 0.00 N ATOM 96 H HIS A 5 1.094 2.053 -0.065 1.00 0.00 H ATOM 97 HA HIS A 5 -1.038 1.746 -1.919 1.00 0.00 H ATOM 98 HB2 HIS A 5 1.935 1.688 -2.054 1.00 0.00 H ATOM 99 HB3 HIS A 5 1.054 0.940 -3.382 1.00 0.00 H ATOM 100 HD1 HIS A 5 0.585 4.225 -1.489 1.00 0.00 H ATOM 101 HD2 HIS A 5 0.845 2.760 -5.372 1.00 0.00 H ATOM 102 HE1 HIS A 5 0.222 6.212 -2.990 1.00 0.00 H ATOM 103 HE2 HIS A 5 0.263 5.277 -5.324 1.00 0.00 H ATOM 104 N GLN A 6 0.600 -0.948 -0.880 1.00 0.00 N ATOM 105 CA GLN A 6 0.608 -2.423 -0.721 1.00 0.00 C ATOM 106 C GLN A 6 -0.668 -2.968 -0.036 1.00 0.00 C ATOM 107 O GLN A 6 -1.363 -3.805 -0.631 1.00 0.00 O ATOM 108 CB GLN A 6 1.858 -2.873 0.058 1.00 0.00 C ATOM 109 CG GLN A 6 3.122 -3.002 -0.794 1.00 0.00 C ATOM 110 CD GLN A 6 3.096 -4.200 -1.726 1.00 0.00 C ATOM 111 OE1 GLN A 6 2.247 -4.292 -2.612 1.00 0.00 O ATOM 112 NE2 GLN A 6 4.029 -5.125 -1.532 1.00 0.00 N ATOM 113 H GLN A 6 1.310 -0.428 -0.442 1.00 0.00 H ATOM 114 HA GLN A 6 0.660 -2.846 -1.713 1.00 0.00 H ATOM 115 HB2 GLN A 6 2.058 -2.160 0.841 1.00 0.00 H ATOM 116 HB3 GLN A 6 1.657 -3.832 0.508 1.00 0.00 H ATOM 117 HG2 GLN A 6 3.231 -2.115 -1.394 1.00 0.00 H ATOM 118 HG3 GLN A 6 3.975 -3.094 -0.138 1.00 0.00 H ATOM 119 HE21 GLN A 6 4.676 -4.988 -0.810 1.00 0.00 H ATOM 120 HE22 GLN A 6 4.030 -5.907 -2.120 1.00 0.00 H HETATM 121 C MK8 A 7 -3.446 -2.919 1.249 1.00 0.00 C HETATM 122 N MK8 A 7 -0.936 -2.507 1.244 1.00 0.00 N HETATM 123 O MK8 A 7 -4.370 -3.768 1.431 1.00 0.00 O HETATM 124 CA MK8 A 7 -2.098 -2.951 2.090 1.00 0.00 C HETATM 125 CB MK8 A 7 -2.314 -1.978 3.303 1.00 0.00 C HETATM 126 CD MK8 A 7 -1.415 -1.118 5.518 1.00 0.00 C HETATM 127 CE MK8 A 7 -0.326 -0.809 6.611 1.00 0.00 C HETATM 128 CG MK8 A 7 -1.066 -1.431 4.052 1.00 0.00 C HETATM 129 CB1 MK8 A 7 -1.773 -4.371 2.645 1.00 0.00 C HETATM 130 HN MK8 A 7 -0.310 -1.878 1.639 1.00 0.00 H HETATM 131 HB MK8 A 7 -2.932 -2.490 4.028 1.00 0.00 H HETATM 132 HBA MK8 A 7 -2.865 -1.123 2.945 1.00 0.00 H HETATM 133 HD MK8 A 7 -1.992 -1.964 5.877 1.00 0.00 H HETATM 134 HDA MK8 A 7 -2.074 -0.270 5.507 1.00 0.00 H HETATM 135 HE MK8 A 7 -0.584 -1.101 7.619 1.00 0.00 H HETATM 136 HG MK8 A 7 -0.739 -0.518 3.575 1.00 0.00 H HETATM 137 HGA MK8 A 7 -0.277 -2.168 4.008 1.00 0.00 H HETATM 138 HB1 MK8 A 7 -0.744 -4.616 2.423 1.00 0.00 H HETATM 139 HB1A MK8 A 7 -2.424 -5.096 2.186 1.00 0.00 H HETATM 140 HB1B MK8 A 7 -1.922 -4.381 3.717 1.00 0.00 H ATOM 141 N LEU A 8 -3.555 -1.854 0.369 1.00 0.00 N ATOM 142 CA LEU A 8 -4.750 -1.578 -0.484 1.00 0.00 C ATOM 143 C LEU A 8 -5.035 -2.683 -1.524 1.00 0.00 C ATOM 144 O LEU A 8 -6.221 -2.956 -1.791 1.00 0.00 O ATOM 145 CB LEU A 8 -4.600 -0.210 -1.194 1.00 0.00 C ATOM 146 CG LEU A 8 -5.882 0.398 -1.816 1.00 0.00 C ATOM 147 CD1 LEU A 8 -6.742 1.104 -0.768 1.00 0.00 C ATOM 148 CD2 LEU A 8 -5.521 1.364 -2.935 1.00 0.00 C ATOM 149 H LEU A 8 -2.816 -1.213 0.337 1.00 0.00 H ATOM 150 HA LEU A 8 -5.601 -1.521 0.178 1.00 0.00 H ATOM 151 HB2 LEU A 8 -4.212 0.498 -0.478 1.00 0.00 H ATOM 152 HB3 LEU A 8 -3.874 -0.325 -1.983 1.00 0.00 H ATOM 153 HG LEU A 8 -6.474 -0.397 -2.244 1.00 0.00 H ATOM 154 HD11 LEU A 8 -6.605 2.172 -0.852 1.00 0.00 H ATOM 155 HD12 LEU A 8 -6.448 0.780 0.218 1.00 0.00 H ATOM 156 HD13 LEU A 8 -7.781 0.860 -0.933 1.00 0.00 H ATOM 157 HD21 LEU A 8 -4.452 1.517 -2.949 1.00 0.00 H ATOM 158 HD22 LEU A 8 -6.018 2.309 -2.769 1.00 0.00 H ATOM 159 HD23 LEU A 8 -5.839 0.952 -3.882 1.00 0.00 H ATOM 160 N GLN A 9 -3.934 -3.266 -2.130 1.00 0.00 N ATOM 161 CA GLN A 9 -4.024 -4.306 -3.195 1.00 0.00 C ATOM 162 C GLN A 9 -4.261 -5.720 -2.657 1.00 0.00 C ATOM 163 O GLN A 9 -5.006 -6.484 -3.306 1.00 0.00 O ATOM 164 CB GLN A 9 -2.771 -4.286 -4.081 1.00 0.00 C ATOM 165 CG GLN A 9 -2.694 -3.073 -5.000 1.00 0.00 C ATOM 166 CD GLN A 9 -1.392 -3.002 -5.780 1.00 0.00 C ATOM 167 OE1 GLN A 9 -0.308 -3.022 -5.199 1.00 0.00 O ATOM 168 NE2 GLN A 9 -1.493 -2.903 -7.104 1.00 0.00 N ATOM 169 H GLN A 9 -3.047 -2.951 -1.867 1.00 0.00 H ATOM 170 HA GLN A 9 -4.872 -4.046 -3.812 1.00 0.00 H ATOM 171 HB2 GLN A 9 -1.894 -4.289 -3.453 1.00 0.00 H ATOM 172 HB3 GLN A 9 -2.765 -5.175 -4.695 1.00 0.00 H ATOM 173 HG2 GLN A 9 -3.512 -3.122 -5.705 1.00 0.00 H ATOM 174 HG3 GLN A 9 -2.789 -2.179 -4.403 1.00 0.00 H ATOM 175 HE21 GLN A 9 -2.389 -2.881 -7.500 1.00 0.00 H ATOM 176 HE22 GLN A 9 -0.665 -2.853 -7.630 1.00 0.00 H ATOM 177 N ASP A 10 -3.616 -6.051 -1.479 1.00 0.00 N ATOM 178 CA ASP A 10 -3.728 -7.376 -0.821 1.00 0.00 C ATOM 179 C ASP A 10 -5.144 -7.584 -0.278 1.00 0.00 C ATOM 180 O ASP A 10 -5.612 -8.737 -0.213 1.00 0.00 O ATOM 181 CB ASP A 10 -2.675 -7.527 0.296 1.00 0.00 C ATOM 182 CG ASP A 10 -2.661 -8.913 0.922 1.00 0.00 C ATOM 183 OD1 ASP A 10 -3.708 -9.334 1.456 1.00 0.00 O ATOM 184 OD2 ASP A 10 -1.603 -9.573 0.878 1.00 0.00 O ATOM 185 H ASP A 10 -3.056 -5.372 -1.056 1.00 0.00 H ATOM 186 HA ASP A 10 -3.544 -8.127 -1.577 1.00 0.00 H ATOM 187 HB2 ASP A 10 -1.694 -7.340 -0.116 1.00 0.00 H ATOM 188 HB3 ASP A 10 -2.874 -6.805 1.072 1.00 0.00 H ATOM 189 N SER A 11 -5.806 -6.432 0.090 1.00 0.00 N ATOM 190 CA SER A 11 -7.183 -6.398 0.622 1.00 0.00 C ATOM 191 C SER A 11 -8.199 -6.427 -0.521 1.00 0.00 C ATOM 192 O SER A 11 -9.382 -6.684 -0.304 1.00 0.00 O ATOM 193 CB SER A 11 -7.390 -5.148 1.488 1.00 0.00 C ATOM 194 OG SER A 11 -7.342 -3.969 0.703 1.00 0.00 O ATOM 195 H SER A 11 -5.340 -5.579 -0.021 1.00 0.00 H ATOM 196 HA SER A 11 -7.325 -7.280 1.232 1.00 0.00 H ATOM 197 HB2 SER A 11 -8.351 -5.201 1.978 1.00 0.00 H ATOM 198 HB3 SER A 11 -6.612 -5.097 2.237 1.00 0.00 H ATOM 199 HG SER A 11 -8.192 -3.836 0.274 1.00 0.00 H HETATM 200 N NH2 A 12 -7.734 -6.170 -1.744 1.00 0.00 N HETATM 201 HN1 NH2 A 12 -6.778 -5.977 -1.848 1.00 0.00 H HETATM 202 HN2 NH2 A 12 -8.366 -6.183 -2.492 1.00 0.00 H TER 203 NH2 A 12