HETATM 1 C ACE A 0 5.108 5.400 3.456 1.00 0.00 C HETATM 2 O ACE A 0 4.030 4.909 3.845 1.00 0.00 O HETATM 3 CH3 ACE A 0 6.339 5.275 4.330 1.00 0.00 C HETATM 4 H1 ACE A 0 6.284 4.360 4.900 1.00 0.00 H HETATM 5 H2 ACE A 0 6.388 6.117 5.004 1.00 0.00 H HETATM 6 H3 ACE A 0 7.222 5.259 3.708 1.00 0.00 H ATOM 7 N HIS A 1 5.293 6.078 2.270 1.00 0.00 N ATOM 8 CA HIS A 1 4.226 6.321 1.277 1.00 0.00 C ATOM 9 C HIS A 1 3.913 5.071 0.443 1.00 0.00 C ATOM 10 O HIS A 1 2.762 4.913 -0.003 1.00 0.00 O ATOM 11 CB HIS A 1 4.594 7.497 0.359 1.00 0.00 C ATOM 12 CG HIS A 1 4.487 8.833 1.033 1.00 0.00 C ATOM 13 ND1 HIS A 1 3.405 9.193 1.810 1.00 0.00 N ATOM 14 CD2 HIS A 1 5.318 9.907 1.032 1.00 0.00 C ATOM 15 CE1 HIS A 1 3.574 10.424 2.259 1.00 0.00 C ATOM 16 NE2 HIS A 1 4.726 10.878 1.802 1.00 0.00 N ATOM 17 H HIS A 1 6.188 6.426 2.079 1.00 0.00 H ATOM 18 HA HIS A 1 3.339 6.591 1.829 1.00 0.00 H ATOM 19 HB2 HIS A 1 5.612 7.380 0.021 1.00 0.00 H ATOM 20 HB3 HIS A 1 3.934 7.500 -0.496 1.00 0.00 H ATOM 21 HD1 HIS A 1 2.628 8.628 2.004 1.00 0.00 H ATOM 22 HD2 HIS A 1 6.261 9.992 0.509 1.00 0.00 H ATOM 23 HE1 HIS A 1 2.889 10.965 2.894 1.00 0.00 H ATOM 24 HE2 HIS A 1 5.071 11.785 1.940 1.00 0.00 H ATOM 25 N LYS A 2 4.968 4.199 0.241 1.00 0.00 N ATOM 26 CA LYS A 2 4.869 2.939 -0.547 1.00 0.00 C ATOM 27 C LYS A 2 4.042 1.853 0.164 1.00 0.00 C ATOM 28 O LYS A 2 3.251 1.141 -0.489 1.00 0.00 O ATOM 29 CB LYS A 2 6.263 2.382 -0.899 1.00 0.00 C ATOM 30 CG LYS A 2 7.060 3.246 -1.873 1.00 0.00 C ATOM 31 CD LYS A 2 8.426 2.634 -2.169 1.00 0.00 C ATOM 32 CE LYS A 2 9.236 3.481 -3.147 1.00 0.00 C ATOM 33 NZ LYS A 2 8.561 3.620 -4.469 1.00 0.00 N ATOM 34 H LYS A 2 5.832 4.430 0.637 1.00 0.00 H ATOM 35 HA LYS A 2 4.364 3.187 -1.469 1.00 0.00 H ATOM 36 HB2 LYS A 2 6.840 2.273 0.005 1.00 0.00 H ATOM 37 HB3 LYS A 2 6.137 1.408 -1.346 1.00 0.00 H ATOM 38 HG2 LYS A 2 6.508 3.331 -2.798 1.00 0.00 H ATOM 39 HG3 LYS A 2 7.203 4.226 -1.447 1.00 0.00 H ATOM 40 HD2 LYS A 2 8.977 2.550 -1.245 1.00 0.00 H ATOM 41 HD3 LYS A 2 8.283 1.651 -2.593 1.00 0.00 H ATOM 42 HE2 LYS A 2 9.382 4.464 -2.723 1.00 0.00 H ATOM 43 HE3 LYS A 2 10.199 3.011 -3.295 1.00 0.00 H ATOM 44 HZ1 LYS A 2 7.605 4.012 -4.342 1.00 0.00 H ATOM 45 HZ2 LYS A 2 8.484 2.692 -4.931 1.00 0.00 H ATOM 46 HZ3 LYS A 2 9.106 4.258 -5.084 1.00 0.00 H HETATM 47 C MK8 A 3 1.991 0.662 2.068 1.00 0.00 C HETATM 48 N MK8 A 3 4.244 1.704 1.536 1.00 0.00 N HETATM 49 O MK8 A 3 1.421 -0.331 1.563 1.00 0.00 O HETATM 50 CA MK8 A 3 3.554 0.676 2.400 1.00 0.00 C HETATM 51 CB MK8 A 3 3.806 1.063 3.925 1.00 0.00 C HETATM 52 CD MK8 A 3 1.591 0.656 5.229 1.00 0.00 C HETATM 53 CE MK8 A 3 0.741 -0.043 6.330 1.00 0.00 C HETATM 54 CG MK8 A 3 3.064 0.274 5.068 1.00 0.00 C HETATM 55 CB1 MK8 A 3 4.278 -0.683 2.115 1.00 0.00 C HETATM 56 HN MK8 A 3 4.894 2.292 1.970 1.00 0.00 H HETATM 57 HB MK8 A 3 3.547 2.108 4.037 1.00 0.00 H HETATM 58 HBA MK8 A 3 4.861 0.966 4.115 1.00 0.00 H HETATM 59 HD MK8 A 3 1.114 0.458 4.278 1.00 0.00 H HETATM 60 HDA MK8 A 3 1.542 1.717 5.404 1.00 0.00 H HETATM 61 HE MK8 A 3 0.895 0.296 7.344 1.00 0.00 H HETATM 62 HG MK8 A 3 3.577 0.464 5.999 1.00 0.00 H HETATM 63 HGA MK8 A 3 3.117 -0.780 4.847 1.00 0.00 H HETATM 64 HB1 MK8 A 3 5.025 -0.540 1.348 1.00 0.00 H HETATM 65 HB1A MK8 A 3 3.556 -1.413 1.782 1.00 0.00 H HETATM 66 HB1B MK8 A 3 4.753 -1.034 3.020 1.00 0.00 H ATOM 67 N LEU A 4 1.315 1.822 2.442 1.00 0.00 N ATOM 68 CA LEU A 4 -0.145 2.041 2.299 1.00 0.00 C ATOM 69 C LEU A 4 -0.673 1.656 0.910 1.00 0.00 C ATOM 70 O LEU A 4 -1.869 1.308 0.804 1.00 0.00 O ATOM 71 CB LEU A 4 -0.505 3.503 2.663 1.00 0.00 C ATOM 72 CG LEU A 4 -2.009 3.847 2.834 1.00 0.00 C ATOM 73 CD1 LEU A 4 -2.561 3.380 4.187 1.00 0.00 C ATOM 74 CD2 LEU A 4 -2.214 5.343 2.670 1.00 0.00 C ATOM 75 H LEU A 4 1.838 2.531 2.870 1.00 0.00 H ATOM 76 HA LEU A 4 -0.622 1.393 3.019 1.00 0.00 H ATOM 77 HB2 LEU A 4 -0.012 3.737 3.595 1.00 0.00 H ATOM 78 HB3 LEU A 4 -0.101 4.146 1.896 1.00 0.00 H ATOM 79 HG LEU A 4 -2.573 3.350 2.058 1.00 0.00 H ATOM 80 HD11 LEU A 4 -3.628 3.547 4.217 1.00 0.00 H ATOM 81 HD12 LEU A 4 -2.086 3.934 4.981 1.00 0.00 H ATOM 82 HD13 LEU A 4 -2.359 2.325 4.313 1.00 0.00 H ATOM 83 HD21 LEU A 4 -2.431 5.565 1.635 1.00 0.00 H ATOM 84 HD22 LEU A 4 -1.316 5.863 2.969 1.00 0.00 H ATOM 85 HD23 LEU A 4 -3.039 5.663 3.288 1.00 0.00 H ATOM 86 N HIS A 5 0.237 1.714 -0.131 1.00 0.00 N ATOM 87 CA HIS A 5 -0.093 1.365 -1.530 1.00 0.00 C ATOM 88 C HIS A 5 -0.333 -0.147 -1.633 1.00 0.00 C ATOM 89 O HIS A 5 -1.340 -0.567 -2.232 1.00 0.00 O ATOM 90 CB HIS A 5 1.024 1.851 -2.479 1.00 0.00 C ATOM 91 CG HIS A 5 0.656 1.855 -3.939 1.00 0.00 C ATOM 92 ND1 HIS A 5 0.361 0.708 -4.645 1.00 0.00 N ATOM 93 CD2 HIS A 5 0.547 2.878 -4.826 1.00 0.00 C ATOM 94 CE1 HIS A 5 0.090 1.023 -5.901 1.00 0.00 C ATOM 95 NE2 HIS A 5 0.195 2.331 -6.034 1.00 0.00 N ATOM 96 H HIS A 5 1.154 1.992 0.071 1.00 0.00 H ATOM 97 HA HIS A 5 -1.015 1.870 -1.780 1.00 0.00 H ATOM 98 HB2 HIS A 5 1.292 2.864 -2.211 1.00 0.00 H ATOM 99 HB3 HIS A 5 1.888 1.218 -2.356 1.00 0.00 H ATOM 100 HD1 HIS A 5 0.350 -0.202 -4.281 1.00 0.00 H ATOM 101 HD2 HIS A 5 0.707 3.929 -4.622 1.00 0.00 H ATOM 102 HE1 HIS A 5 -0.167 0.328 -6.686 1.00 0.00 H ATOM 103 HE2 HIS A 5 0.046 2.829 -6.865 1.00 0.00 H ATOM 104 N GLN A 6 0.609 -0.941 -1.009 1.00 0.00 N ATOM 105 CA GLN A 6 0.551 -2.427 -0.968 1.00 0.00 C ATOM 106 C GLN A 6 -0.692 -2.930 -0.225 1.00 0.00 C ATOM 107 O GLN A 6 -1.323 -3.905 -0.657 1.00 0.00 O ATOM 108 CB GLN A 6 1.795 -3.017 -0.277 1.00 0.00 C ATOM 109 CG GLN A 6 3.006 -3.208 -1.179 1.00 0.00 C ATOM 110 CD GLN A 6 4.145 -3.919 -0.471 1.00 0.00 C ATOM 111 OE1 GLN A 6 4.679 -3.420 0.519 1.00 0.00 O ATOM 112 NE2 GLN A 6 4.521 -5.090 -0.972 1.00 0.00 N ATOM 113 H GLN A 6 1.358 -0.489 -0.561 1.00 0.00 H ATOM 114 HA GLN A 6 0.510 -2.785 -1.985 1.00 0.00 H ATOM 115 HB2 GLN A 6 2.084 -2.368 0.534 1.00 0.00 H ATOM 116 HB3 GLN A 6 1.530 -3.979 0.135 1.00 0.00 H ATOM 117 HG2 GLN A 6 2.713 -3.792 -2.034 1.00 0.00 H ATOM 118 HG3 GLN A 6 3.362 -2.247 -1.507 1.00 0.00 H ATOM 119 HE21 GLN A 6 4.051 -5.430 -1.761 1.00 0.00 H ATOM 120 HE22 GLN A 6 5.257 -5.564 -0.533 1.00 0.00 H HETATM 121 C MK8 A 7 -3.485 -2.520 0.962 1.00 0.00 C HETATM 122 N MK8 A 7 -1.021 -2.242 0.926 1.00 0.00 N HETATM 123 O MK8 A 7 -4.460 -3.287 1.183 1.00 0.00 O HETATM 124 CA MK8 A 7 -2.175 -2.562 1.827 1.00 0.00 C HETATM 125 CB MK8 A 7 -2.333 -1.446 2.917 1.00 0.00 C HETATM 126 CD MK8 A 7 -0.651 -1.757 4.829 1.00 0.00 C HETATM 127 CE MK8 A 7 -0.200 -1.052 6.159 1.00 0.00 C HETATM 128 CG MK8 A 7 -1.056 -0.910 3.623 1.00 0.00 C HETATM 129 CB1 MK8 A 7 -1.948 -3.939 2.540 1.00 0.00 C HETATM 130 HN MK8 A 7 -0.465 -1.495 1.170 1.00 0.00 H HETATM 131 HB MK8 A 7 -2.999 -1.823 3.680 1.00 0.00 H HETATM 132 HBA MK8 A 7 -2.807 -0.599 2.451 1.00 0.00 H HETATM 133 HD MK8 A 7 0.156 -2.406 4.510 1.00 0.00 H HETATM 134 HDA MK8 A 7 -1.492 -2.375 5.079 1.00 0.00 H HETATM 135 HE MK8 A 7 -0.681 -1.399 7.060 1.00 0.00 H HETATM 136 HG MK8 A 7 -1.234 0.105 3.948 1.00 0.00 H HETATM 137 HGA MK8 A 7 -0.249 -0.918 2.918 1.00 0.00 H HETATM 138 HB1 MK8 A 7 -2.082 -4.740 1.827 1.00 0.00 H HETATM 139 HB1A MK8 A 7 -2.664 -4.049 3.342 1.00 0.00 H HETATM 140 HB1B MK8 A 7 -0.948 -3.974 2.943 1.00 0.00 H ATOM 141 N LEU A 8 -3.479 -1.540 -0.015 1.00 0.00 N ATOM 142 CA LEU A 8 -4.611 -1.272 -0.939 1.00 0.00 C ATOM 143 C LEU A 8 -4.901 -2.469 -1.862 1.00 0.00 C ATOM 144 O LEU A 8 -6.073 -2.681 -2.227 1.00 0.00 O ATOM 145 CB LEU A 8 -4.340 0.008 -1.768 1.00 0.00 C ATOM 146 CG LEU A 8 -5.534 0.591 -2.573 1.00 0.00 C ATOM 147 CD1 LEU A 8 -6.489 1.396 -1.687 1.00 0.00 C ATOM 148 CD2 LEU A 8 -5.025 1.452 -3.718 1.00 0.00 C ATOM 149 H LEU A 8 -2.681 -0.968 -0.085 1.00 0.00 H ATOM 150 HA LEU A 8 -5.484 -1.099 -0.327 1.00 0.00 H ATOM 151 HB2 LEU A 8 -3.991 0.775 -1.091 1.00 0.00 H ATOM 152 HB3 LEU A 8 -3.545 -0.211 -2.465 1.00 0.00 H ATOM 153 HG LEU A 8 -6.097 -0.226 -3.000 1.00 0.00 H ATOM 154 HD11 LEU A 8 -7.252 1.853 -2.301 1.00 0.00 H ATOM 155 HD12 LEU A 8 -5.938 2.164 -1.167 1.00 0.00 H ATOM 156 HD13 LEU A 8 -6.954 0.736 -0.969 1.00 0.00 H ATOM 157 HD21 LEU A 8 -5.083 2.493 -3.438 1.00 0.00 H ATOM 158 HD22 LEU A 8 -5.633 1.280 -4.594 1.00 0.00 H ATOM 159 HD23 LEU A 8 -4.000 1.192 -3.934 1.00 0.00 H ATOM 160 N GLN A 9 -3.801 -3.207 -2.254 1.00 0.00 N ATOM 161 CA GLN A 9 -3.867 -4.369 -3.181 1.00 0.00 C ATOM 162 C GLN A 9 -4.279 -5.700 -2.527 1.00 0.00 C ATOM 163 O GLN A 9 -5.227 -6.337 -3.031 1.00 0.00 O ATOM 164 CB GLN A 9 -2.530 -4.553 -3.918 1.00 0.00 C ATOM 165 CG GLN A 9 -2.274 -3.531 -5.029 1.00 0.00 C ATOM 166 CD GLN A 9 -3.186 -3.702 -6.241 1.00 0.00 C ATOM 167 OE1 GLN A 9 -4.410 -3.681 -6.115 1.00 0.00 O ATOM 168 NE2 GLN A 9 -2.592 -3.864 -7.421 1.00 0.00 N ATOM 169 H GLN A 9 -2.921 -2.923 -1.929 1.00 0.00 H ATOM 170 HA GLN A 9 -4.612 -4.124 -3.924 1.00 0.00 H ATOM 171 HB2 GLN A 9 -1.725 -4.476 -3.204 1.00 0.00 H ATOM 172 HB3 GLN A 9 -2.512 -5.539 -4.357 1.00 0.00 H ATOM 173 HG2 GLN A 9 -2.424 -2.542 -4.627 1.00 0.00 H ATOM 174 HG3 GLN A 9 -1.249 -3.632 -5.355 1.00 0.00 H ATOM 175 HE21 GLN A 9 -1.612 -3.866 -7.450 1.00 0.00 H ATOM 176 HE22 GLN A 9 -3.159 -3.972 -8.215 1.00 0.00 H ATOM 177 N ASP A 10 -3.514 -6.137 -1.453 1.00 0.00 N ATOM 178 CA ASP A 10 -3.731 -7.440 -0.758 1.00 0.00 C ATOM 179 C ASP A 10 -5.072 -7.532 0.023 1.00 0.00 C ATOM 180 O ASP A 10 -5.341 -8.608 0.599 1.00 0.00 O ATOM 181 CB ASP A 10 -2.531 -7.767 0.167 1.00 0.00 C ATOM 182 CG ASP A 10 -2.575 -9.193 0.683 1.00 0.00 C ATOM 183 OD1 ASP A 10 -2.539 -10.123 -0.150 1.00 0.00 O ATOM 184 OD2 ASP A 10 -2.646 -9.380 1.914 1.00 0.00 O ATOM 185 H ASP A 10 -2.752 -5.583 -1.171 1.00 0.00 H ATOM 186 HA ASP A 10 -3.755 -8.196 -1.531 1.00 0.00 H ATOM 187 HB2 ASP A 10 -1.612 -7.643 -0.385 1.00 0.00 H ATOM 188 HB3 ASP A 10 -2.522 -7.099 1.018 1.00 0.00 H ATOM 189 N SER A 11 -5.913 -6.413 0.023 1.00 0.00 N ATOM 190 CA SER A 11 -7.237 -6.374 0.726 1.00 0.00 C ATOM 191 C SER A 11 -8.378 -7.012 -0.125 1.00 0.00 C ATOM 192 O SER A 11 -8.690 -8.182 0.092 1.00 0.00 O ATOM 193 CB SER A 11 -7.560 -4.946 1.219 1.00 0.00 C ATOM 194 OG SER A 11 -6.543 -4.467 2.074 1.00 0.00 O ATOM 195 H SER A 11 -5.626 -5.613 -0.466 1.00 0.00 H ATOM 196 HA SER A 11 -7.126 -7.002 1.602 1.00 0.00 H ATOM 197 HB2 SER A 11 -7.652 -4.281 0.377 1.00 0.00 H ATOM 198 HB3 SER A 11 -8.488 -4.960 1.771 1.00 0.00 H ATOM 199 HG SER A 11 -6.330 -5.134 2.729 1.00 0.00 H HETATM 200 N NH2 A 12 -9.097 -6.258 -0.990 1.00 0.00 N HETATM 201 HN1 NH2 A 12 -8.899 -5.304 -1.071 1.00 0.00 H HETATM 202 HN2 NH2 A 12 -9.801 -6.704 -1.511 1.00 0.00 H TER 203 NH2 A 12